A novel manifold method of reconstructing dynamically evolving spatial fields is presented for assimilating data from sensor networks in integrated land surface – subsurface, oceanic/lake models. The method was developed based on the assumption that data can be mapped onto an underlying differential manifold. In this study, the proposed method was used to reconstruct meteorological forcing over Lake Michigan, the bathymetry of an inland lake (Gull Lake), and precipitation over the Grand River watershed in Michigan. In the first case study, hourly meteorological forcing data were reconstructed and used to run a three-dimensional hydrodynamic model of Lake Michigan and to quantify the improvement that results from the use of the new method. In the second example, the bathymetry of Gull Lake was reconstructed from measured scatter point data using the manifold technique. A hydrodynamic model of Gull Lake was developed and refined using the improved bathymetry. In the last case study, improved daily participation data for a six-year period over the Grand River watershed were used as input to an integrated, distributed hydrologic model. All three examples illustrate the superior performance of the manifold method over standard methods in terms of accuracy and computational efficiency. Our results also indicate that using the cross-validation technique to evaluate the performance of data reconstruction methods can lead to misleading conclusions about their relative performance.

1 aSafaie, Ammar1 aDang, Chinh1 aQiu, Han1 aRadha, Hayder1 aPhanikumar, M.S. uhttp://hydrology1.weebly.com/uploads/6/6/2/1/66216077/jh_safaie.pdf00535nas a2200133 4500008004100000245008300041210006900124260001600193300002400209490000700233100002000240700001900260856012200279 2015 eng d00aTwist-averaged boundary conditions for nuclear pasta Hartree-Fock calculations0 aTwistaveraged boundary conditions for nuclear pasta HartreeFock c2015/10/21/ a045806-1 - 045806-60 v921 aSchuetrumpf, B.1 aNazarewicz, W. uhttps://icer.msu.edu/research/publications/twist-averaged-boundary-conditions-nuclear-pasta-hartree-fock-calculations01517nas a2200577 4500008004100000245010300041210006900144260001200213490000800225100001500233700001500248700001900263700001900282700001400301700001800315700001500333700001700348700001500365700002200380700001300402700001500415700001500430700001300445700001500458700001400473700001700487700001900504700001400523700001400537700001500551700001300566700001600579700001600595700001900611700001600630700001600646700001600662700001500678700001400693700001400707700001400721700001400735700001500749700001600764700001900780700001800799700001600817700001500833700001900848856007200867 2014 eng d00aDetermining the rp-Process Flow through 56Ni: Resonances in 57Cu(p,g)58Zn Indentified with GRETINA0 aDetermining the rpProcess Flow through 56Ni Resonances in 57Cupg c07/20140 v1131 aLanger, C.1 aMontes, F.1 aAprahamian, A.1 aBardayan, D.W.1 aBazin, D.1 aBrown, B., A.1 aBrowne, J.1 aCrawford, H.1 aCyburt, R.1 aDomingo-Pardo, C.1 aGade, A.1 aGeorge, S.1 aHosmer, P.1 aKeek, L.1 aKontos, A.1 aLee, I.Y.1 aLemasson, A.1 aLunderberg, E.1 aMaeda, Y.1 aMatos, M.1 aMeisel, Z.1 aNoji, S.1 aNunes, F.M.1 aNystrom, A.1 aPerdikakis, G.1 aPereira, J.1 aQuinn, S.J.1 aRecchia, F.1 aSchatz, H.1 aScott, M.1 aSiegl, K.1 aSimon, A.1 aSmith, M.1 aSpyrou, A.1 aStevens, J.1 aStroberg, S.R.1 aWeisshaar, D.1 aWheeler, J.1 aWimmer, K.1 aZegers, R.G.T. uhttp://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.03250201103nas a2200361 4500008004100000245007800041210006900119260001200188490000800200100002500208700002200233700001900255700002000274700002100294700002100315700002500336700002400361700002300385700002000408700002300428700001800451700002400469700002400493700001700517700002200534700002400556700002300580700002000603700002400623700002200647700002200669856005000691 2014 eng d00aGill bacteria enable a novel digestive strategy in a wood-feeding mollusk0 aGill bacteria enable a novel digestive strategy in a woodfeeding c11/20140 v1111 aO'Connor, Roberta, M1 aFung, Jennifer, M1 aSharp, Koty, H1 aBenner, Jack, S1 aMcClung, Colleen1 aCushing, Shelley1 aLamkin, Elizabeth, R1 aFomenkov, Alexey, I1 aHenrissat, Bernard1 aLonder, Yuri, Y1 aScholz, Matthew, B1 aPosfai, Janos1 aMalfatti, Stephanie1 aTringe, Susannah, G1 aWoyke, Tanja1 aMalmstrom, Rex, R1 aColeman-Derr, Devin1 aAltamia, Marvin, A1 aDedrick, Sandra1 aKaluziak, Stefan, T1 aHaywood, Margo, G1 aDistel, Daniel, L uhttp://www.pnas.org/content/111/47/E5096.full00748nas a2200241 4500008004100000245008800041210006900129260001200198490000700210100001800217700001800235700002000253700002500273700002200298700001800320700002100338700001700359700001600376700001600392700001700408700001300425856006800438 2014 eng d00aHigh-precision B(E2) Measurements of Semi-Magic 58,60,62,64Ni by Coulomb Excitation0 aHighprecision BE2 Measurements of SemiMagic 58606264Ni by Coulom c09/20140 v901 aAllmond, J.M.1 aBrown, B., A.1 aStuchbery, A.E.1 aGalindo-Uribarri, A.1 aPadilla-Rodal, E.1 aRadford, D.C.1 aBatchelder, J.C.1 aHoward, M.E.1 aLiang, J.F.1 aManning, B.1 aVarner, R.L.1 aYu, C.H. uhttp://journals.aps.org/prc/abstract/10.1103/PhysRevC.90.03430900830nas a2200265 4500008004100000245009900041210007100140260001200211490000700223100001400230700002600244700001800270700001700288700002100305700001700326700001700343700001500360700001900375700001800394700001700412700002200429700001500451700001800466856008000484 2014 eng d00aHigh-resolution two-proton stripping to 2p-1h 7/2− states via the 59Co(3He,nγ)61Cu reaction0 aHighresolution twoproton stripping to 2p1h 72− states via the 59 c10/20140 v501 aPapka, P.1 aSharpey-Schafer, J.F.1 aBrown, B., A.1 aDinoko, T.S.1 aKhaleel, E.A.M.A1 aLawrie, E.A.1 aLawrie, J.J.1 aLi, K.C.W.1 aMajola, S.N.T.1 aRichter, W.A.1 aShirinda, O.1 aStankiewicz, M.A.1 aVymers, P.1 aWiedeking, M. uhttps://people.nscl.msu.edu/~brown/brown-all-papers/541-2014-epja50.158.pdf00501nas a2200133 4500008004100000245009400041210007000135260001200205490000700217100001800224700001400242700001800256856009300274 2014 eng d00aNeutrinoless double-β decay of 82Se in the shell model: Beyond the closure approximation0 aNeutrinoless doubleβ decay of 82Se in the shell model Beyond the c05/20140 v891 aSen'kov, R.A.1 aHoroi, M.1 aBrown, B., A. uhttps://people.nscl.msu.edu/~brown/brown-all-papers/529-2014-PhysRevC.89.054304-se82.pdf01353nas a2200529 4500008004100000245006100041210005900102260001200161490000700173100001900180700001500199700002300214700001600237700001800253700001900271700001400290700001200304700001900316700001900335700001500354700002000369700001700389700001300406700001900419700001500438700001700453700001800470700001400488700001200502700001400514700001200528700001100540700001800551700002000569700001700589700001200606700001800618700001400636700001300650700001600663700001700679700001600696700001500712700001300727700001500740856006800755 2014 eng d00aShell and Shape Evolution at N=28: The 40Mg Ground State0 aShell and Shape Evolution at N28 The 40Mg Ground State c04/20140 v801 aCrawford, H.L.1 aFallon, P.1 aMacchiavelli, A.O.1 aClark, R.M.1 aBrown, B., A.1 aTostevin, J.A.1 aBazin, D.1 aAoi, N.1 aDoornenbal, P.1 aMatsushita, M.1 aScheit, H.1 aSteppenbeck, D.1 aTakeuchi, S.1 aBaba, H.1 aCampbell, C.M.1 aCromaz, M.1 aIdeguchi, E.1 aKobayashi, N.1 aKondo, Y.1 aLee, G.1 aLee, I.Y.1 aLee, J.1 aLi, K.1 aMichimasa, S.1 aMotobayashi, T.1 aNakamura, T.1 aOta, S.1 aPaschalis, S.1 aPetri, M.1 aSako, T.1 aSakurai, H.1 aShimoura, S.1 aTakechi, M.1 aTogano, Y.1 aWang, H.1 aYoneda, K. uhttp://journals.aps.org/prc/abstract/10.1103/PhysRevC.89.04130301343nas a2200445 4500008004100000245010100041210006900142260001200211490000800223653001600231653003200247653005600279653002800335653003400363100001500397700001800412700001400430700001900444700001800463700001600481700001500497700001700512700001200529700001200541700001500553700002100568700001800589700001800607700002200625700001500647700001600662700001500678700001400693700001400707700001400721700001100735700001200746700001300758856012600771 2013 eng d00aCLASH: The Enhanced Lensing Efficiency of the Highly Elongated Merging Cluster MACS J0416.1-24030 aCLASH The Enhanced Lensing Efficiency of the Highly Elongated Me c01/20130 v76210adark matter10agalaxies: clusters: general10agalaxies: clusters: individual: MACS J0416.1–240310aGalaxies: High-Redshift10agravitational lensing: strong1 aZitrin, A.1 aMeneghetti, M1 aUmetsu, K1 aBroadhurst, T.1 aBartelmann, M1 aBouwens, R.1 aBradley, L1 aCarrasco, M.1 aCoe, D.1 aFord, H1 aKelson, D.1 aKoekemoer, A., M1 aMedezinski, E1 aMoustakas, J.1 aMoustakas, L., A.1 aNonino, M.1 aPostman, M.1 aRosati, P.1 aSeidel, G1 aSeitz, S.1 aSendra, I1 aShu, X1 aVega, J1 aZheng, W uhttps://icer.msu.edu/research/publications/clash-enhanced-lensing-efficiency-highly-elongated-merging-cluster-macs-j041-001343nas a2200445 4500008004100000245010100041210006900142260001200211490000800223653001600231653003200247653005600279653002800335653003400363100001500397700001800412700001400430700001900444700001800463700001600481700001500497700001700512700001200529700001200541700001500553700002100568700001800589700001800607700002200625700001500647700001600662700001500678700001400693700001400707700001400721700001100735700001200746700001300758856012600771 2013 eng d00aCLASH: The Enhanced Lensing Efficiency of the Highly Elongated Merging Cluster MACS J0416.1-24030 aCLASH The Enhanced Lensing Efficiency of the Highly Elongated Me c01/20130 v76210adark matter10agalaxies: clusters: general10agalaxies: clusters: individual: MACS J0416.1–240310aGalaxies: High-Redshift10agravitational lensing: strong1 aZitrin, A.1 aMeneghetti, M1 aUmetsu, K1 aBroadhurst, T.1 aBartelmann, M1 aBouwens, R.1 aBradley, L1 aCarrasco, M.1 aCoe, D.1 aFord, H1 aKelson, D.1 aKoekemoer, A., M1 aMedezinski, E1 aMoustakas, J.1 aMoustakas, L., A.1 aNonino, M.1 aPostman, M.1 aRosati, P.1 aSeidel, G1 aSeitz, S.1 aSendra, I1 aShu, X1 aVega, J1 aZheng, W uhttps://icer.msu.edu/research/publications/clash-enhanced-lensing-efficiency-highly-elongated-merging-cluster-macs-j0416101273nas a2200433 4500008004100000245006800041210006600109260001200175490000800187653001300195653002800208653001900236653001300255653001500268100001300283700001600296700002300312700001600335700001500351700001800366700001900384700002100403700002100424700002000445700001600465700001400481700002700495700001800522700002000540700002300560700001900583700002200602700002500624700002200649700001800671700002300689700001800712856010900730 2013 eng d00aCLASH: Three Strongly Lensed Images of a Candidate z 11 Galaxy0 aCLASH Three Strongly Lensed Images of a Candidate z 11 Galaxy c01/20130 v76210aclusters10adistances and redshifts10aearly universe10agalaxies10aindividual1 aCoe, Dan1 aZitrin, Adi1 aCarrasco, Mauricio1 aShu, Xinwen1 aZheng, Wei1 aPostman, Marc1 aBradley, Larry1 aKoekemoer, Anton1 aBouwens, Rychard1 aBroadhurst, Tom1 aMonna, Anna1 aHost, Ole1 aMoustakas, Leonidas, A1 aFord, Holland1 aMoustakas, John1 avan der Wel, Arjen1 aDonahue, Megan1 aRodney, Steven, A1 aBen{\'ıtez, Narciso1 aJouvel, Stephanie1 aSeitz, Stella1 aKelson, Daniel, D.1 aRosati, Piero uhttps://icer.msu.edu/research/publications/clash-three-strongly-lensed-images-candidate-z%C2%A011-galaxy01262nas a2200433 4500008004100000245006700041210006500108260001200173490000800185653001300193653002800206653001900234653001300253653001500266100001300281700001600294700002300310700001600333700001500349700001800364700001900382700002100401700002100422700002000443700001600463700001400479700002700493700001800520700002000538700002300558700001900581700002200600700002200622700002200644700001800666700002300684700001800707856010300725 2013 eng d00aCLASH: Three Strongly Lensed Images of a Candidate z~11 Galaxy0 aCLASH Three Strongly Lensed Images of a Candidate z11 Galaxy c01/20130 v76210aclusters10adistances and redshifts10aearly universe10agalaxies10aindividual1 aCoe, Dan1 aZitrin, Adi1 aCarrasco, Mauricio1 aShu, Xinwen1 aZheng, Wei1 aPostman, Marc1 aBradley, Larry1 aKoekemoer, Anton1 aBouwens, Rychard1 aBroadhurst, Tom1 aMonna, Anna1 aHost, Ole1 aMoustakas, Leonidas, A1 aFord, Holland1 aMoustakas, John1 avan der Wel, Arjen1 aDonahue, Megan1 aRodney, Steven, A1 aBenítez, Narciso1 aJouvel, Stephanie1 aSeitz, Stella1 aKelson, Daniel, D.1 aRosati, Piero uhttps://icer.msu.edu/research/publications/clash-three-strongly-lensed-images-candidate-z11-galaxy00600nas a2200157 4500008004100000245010100041210006900142300001200211490000700223100001700230700001300247700002000260700001700280700002100297856012400318 2013 eng d00aIntra-aggregate pore structures are related to total C distribution within soil macro-aggregates0 aIntraaggregate pore structures are related to total C distributi a686-8750 v571 aAnanyeva, K.1 aWang, W.1 aSmucker, A.J.M.1 aRivers, M.L.1 aKravchenko, A.N. uhttps://icer.msu.edu/research/publications/intra-aggregate-pore-structures-are-related-total-c-distribution-within-soil00562nas a2200133 4500008004100000245012600041210006900167490001200236100002000248700001600268700001500284700001500299856011400314 2013 eng d00aLarge-Eddy Simulations of Turbulent Flows in Internal Combustion Engines, International Journal of Heat and Mass Transfer0 aLargeEddy Simulations of Turbulent Flows in Internal Combustion 0 vVol. 601 aBanaeizadeh, A.1 aAfshari, A.1 aSchock, H.1 aJaberi, F. uhttps://icer.msu.edu/research/publications/large-eddy-simulations-turbulent-flows-internal-combustion-engines00703nas a2200217 4500008004100000245005900041210005400100300001400154490000800168653001900176653002800195653004000223100002300263700002000286700002000306700001600326700001800342700001900360700001600379856009000395 2013 eng d00aThe nature of the H₂-emitting gas in the Crab nebula0 anature of the H₂emitting gas in the Crab nebula a1257-12790 v43010aISM: molecules10aISM: supernova remnants10asupernovae: individual: Crab nebula1 aRichardson, C., T.1 aBaldwin, J., A.1 aFerland, G., J.1 aLoh, E., D.1 aKuehn, C., A.1 aFabian, A., C.1 aSalomé, P. uhttps://icer.msu.edu/research/publications/nature-h%E2%82%82-emitting-gas-crab-nebula01427nas a2200133 4500008004100000245008600041210006900127260004200196520096600238100001901204700001501223700001501238856004001253 2013 eng d00aNumerical Simulations of Turbulent Sprays with a Multicomponent Evaporation Model0 aNumerical Simulations of Turbulent Sprays with a Multicomponent aWarrendale, {PA}b{SAE} International3 aA multicomponent droplet evaporation model which discretizes the one-dimensional mass and temperature profiles inside a droplet with a finite volume method has been developed and implemented into a large-eddy simulation ({LES)} model for spray simulations. The {LES} and multicomponent models were used along with the {KH-RT} secondary droplet breakup model to simulate realistic fuel sprays in a closed vessel. The effect of various spray and ambient gas parameters on the liquid penetration length of different single component and multicomponent fuels was investigated. The numerical results indicate that the spray penetration length decreases non-linearly with increasing gas temperature or pressure and is less sensitive to changes in ambient gas conditions at higher temperatures or pressures. The spray models and {LES} were found to predict the experimental results for n-hexadecane and two multicomponent surrogate diesel fuels reasonably well.

1 aSrivastava, S.1 aSchock, H.1 aJaberi, F. uhttp://papers.sae.org/2013-01-1603/00659nas a2200181 4500008004100000245012500041210006900166300001200235490000700247100001900254700001600273700001400289700001300303700001500316700001600331700001500347856011500362 2013 eng d00aRelationships between intra-aggregate pore structures and distributions of Escherichia coli within soil macro-aggregates0 aRelationships between intraaggregate pore structures and distrib a134-1420 v631 aA., Kravchenko1 aChun, H.-C.1 aMazer, M.1 aWang, W.1 aRose, J.B.1 aSmucker, A.1 aRivers, M. uhttps://icer.msu.edu/research/publications/relationships-between-intra-aggregate-pore-structures-distributions00651nas a2200157 4500008004100000245015400041210006900195100001500264700001200279700001700291700002100308700001800329700001600347700001200363856011800375 2012 eng d00aAlternative splicing of a multi-drug transporter from Pseudoperonospora cubensis generates an RXLR effector protein that elicits a rapid cell death.0 aAlternative splicing of a multidrug transporter from Pseudoperon1 aSavory, E.1 aZou, C.1 aAdhikari, B.1 aHamilton, J., P.1 aBuell, C., R.1 aShiu, S.-H.1 aDay, B. uhttps://icer.msu.edu/research/publications/alternative-splicing-multi-drug-transporter-pseudoperonospora-cubensis01651nas a2200553 4500008004100000245022000041210006900261260001200330653006000342100001500402700001500417700001500432700001200447700001400459700001300473700001200486700001300498700001600511700001700527700001300544700001700557700001500574700001500589700001800604700001800622700001200640700001500652700001300667700001400680700001900694700001800713700001500731700001800746700001200764700001500776700001500791700001500806700002000821700001400841700001400855700001200869700001800881700001600899700001400915700001500929700001300944700001400957856012600971 2012 eng d00aA Census of Star-Forming Galaxies in the z~9-10 Universe based on HST+Spitzer Observations Over 19 CLASH clusters: Three Candidate z~9-10 Galaxies and Improved Constraints on the Star Formation Rate Density at z~9.20 aCensus of StarForming Galaxies in the z910 Universe based on HST c11/201210aAstrophysics - Cosmology and Extragalactic Astrophysics1 aBouwens, R1 aBradley, L1 aZitrin, A.1 aCoe, D.1 aFranx, M.1 aZheng, W1 aSmit, R1 aHost, O.1 aPostman, M.1 aMoustakas, L1 aLabbe, I1 aCarrasco, M.1 aMolino, A.1 aDonahue, M1 aKelson, D., D1 aMeneghetti, M1 aJha, S.1 aBenitez, N1 aLemze, D1 aUmetsu, K1 aBroadhurst, T.1 aMoustakas, J.1 aRosati, P.1 aBartelmann, M1 aFord, H1 aGraves, G.1 aGrillo, C.1 aInfante, L1 aJiminez-Teja, Y1 aJouvel, S1 aLahav, O.1 aMaoz, D1 aMedezinski, E1 aMelchior, P1 aMerten, J1 aNonino, M.1 aOgaz, S.1 aSeitz, S. uhttps://icer.msu.edu/research/publications/census-star-forming-galaxies-z9-10-universe-based-hstspitzer-observations-over01350nas a2200457 4500008004100000245009300041210006900134260001200203490000800215653001600223653003200239653005400271653002800325653003400353100001500387700001800402700001500420700001200435700002200447700001600469700001100485700001300496700001700509700001600526700001900542700001200561700001300573700001400586700001800600700001800618700001500636700001500651700001500666700001500681700001300696700001800709700001500727700001500742700001300757856012200770 2012 eng d00aCLASH: Discovery of a Bright z ~= 6.2 Dwarf Galaxy Quadruply Lensed by MACS J0329.6-02110 aCLASH Discovery of a Bright z 62 Dwarf Galaxy Quadruply Lensed b c03/20120 v74710adark matter10agalaxies: clusters: general10agalaxies: clusters: individual: MACS J0329.6-021110aGalaxies: High-Redshift10agravitational lensing: strong1 aZitrin, A.1 aMoustakas, J.1 aBradley, L1 aCoe, D.1 aMoustakas, L., A.1 aPostman, M.1 aShu, X1 aZheng, W1 aBenítez, N.1 aBouwens, R.1 aBroadhurst, T.1 aFord, H1 aHost, O.1 aJouvel, S1 aKoekemoer, A.1 aMeneghetti, M1 aRosati, P.1 aDonahue, M1 aGrillo, C.1 aKelson, D.1 aLemze, D1 aMedezinski, E1 aMolino, A.1 aNonino, M.1 aOgaz, S. uhttps://icer.msu.edu/research/publications/clash-discovery-bright-z-62-dwarf-galaxy-quadruply-lensed-macs-j03296-021102193nas a2200733 4500008004100000245009800041210006900139260001200208490000800220653002800228653001600256653005400272653003400326653003200360100002000392700002300412700001800435700001900453700001600472700002000488700002000508700002300528700001900551700002200570700001300592700001800605700002100623700001900644700001700663700002200680700001900702700002100721700001800742700002200760700001800782700002000800700002000820700002100840700002000861700001800881700002200899700001900921700001800940700002200958700001400980700001700994700002001011700002401031700002401055700002501079700002201104700002101126700001901147700001801166700002701184700001901211700001601230700002001246700002001266700001501286700001801301700001501319856012501334 2012 eng d00aCLASH: Mass Distribution in and around MACS J1206.2-0847 from a Full Cluster Lensing Analysis0 aCLASH Mass Distribution in and around MACS J120620847 from a Ful c08/20120 v75510acosmology: observations10adark matter10agalaxies: clusters: individual: MACS J1206.2-084710agravitational lensing: strong10agravitational lensing: weak1 aUmetsu, Keiichi1 aMedezinski, Elinor1 aNonino, Mario1 aMerten, Julian1 aZitrin, Adi1 aMolino, Alberto1 aGrillo, Claudio1 aCarrasco, Mauricio1 aDonahue, Megan1 aMahdavi, Andisheh1 aCoe, Dan1 aPostman, Marc1 aKoekemoer, Anton1 aCzakon, Nicole1 aSayers, Jack1 aMroczkowski, Tony1 aGolwala, Sunil1 aKoch, Patrick, M1 aLin, Kai-Yang1 aMolnar, Sandor, M1 aRosati, Piero1 aBalestra, Italo1 aMercurio, Amata1 aScodeggio, Marco1 aBiviano, Andrea1 aAnguita, Timo1 aInfante, Leopoldo1 aSeidel, Gregor1 aSendra, Irene1 aJouvel, Stephanie1 aHost, Ole1 aLemze, Doron1 aBroadhurst, Tom1 aMeneghetti, Massimo1 aMoustakas, Leonidas1 aBartelmann, Matthias1 aBenítez, Narciso1 aBouwens, Rychard1 aBradley, Larry1 aFord, Holland1 aJiménez-Teja, Yolanda1 aKelson, Daniel1 aLahav, Ofer1 aMelchior, Peter1 aMoustakas, John1 aOgaz, Sara1 aSeitz, Stella1 aZheng, Wei uhttps://icer.msu.edu/research/publications/clash-mass-distribution-around-macs-j12062-0847-full-cluster-lensing-analysis01974nas a2200733 4500008004100000245008800041210006900129260001200198490000800210653001600218653003200234653005600266653002800322653003400350100001500384700001500399700001500414700001500429700001600444700001200460700001400472700001500486700001900501700001400520700001700534700001600551700001700567700001700584700001500601700001200616700001300628700002000641700001800661700001300679700001800692700001600710700001400726700001500740700001300755700001500768700001500783700001200798700001500810700001400825700001400839700001300853700001700866700001200883700001600895700001800911700001600929700001800945700001400963700001500977700002200992700001301014700001401027700001501041700001401056700001401070700001401084700002001098856012201118 2012 eng d00aCLASH: New Multiple Images Constraining the Inner Mass Profile of MACS J1206.2-08470 aCLASH New Multiple Images Constraining the Inner Mass Profile of c04/20120 v74910adark matter10agalaxies: clusters: general10agalaxies: clusters: individual: MACS J1206.2–084710aGalaxies: High-Redshift10agravitational lensing: strong1 aZitrin, A.1 aRosati, P.1 aNonino, M.1 aGrillo, C.1 aPostman, M.1 aCoe, D.1 aSeitz, S.1 aEichner, T1 aBroadhurst, T.1 aJouvel, S1 aBalestra, I.1 aMercurio, A1 aScodeggio, M1 aBenítez, N.1 aBradley, L1 aFord, H1 aHost, O.1 aJimenez-Teja, Y1 aKoekemoer, A.1 aZheng, W1 aBartelmann, M1 aBouwens, R.1 aCzoske, O1 aDonahue, M1 aGraur, O1 aGraves, G.1 aInfante, L1 aJha, S.1 aKelson, D.1 aLahav, O.1 aLazkoz, R1 aLemze, D1 aLombardi, M.1 aMaoz, D1 aMcCully, C.1 aMedezinski, E1 aMelchior, P1 aMeneghetti, M1 aMerten, J1 aMolino, A.1 aMoustakas, L., A.1 aOgaz, S.1 aPatel, B.1 aRegoes, E.1 aRiess, A.1 aRodney, S1 aUmetsu, K1 aVan der Wel, A. uhttps://icer.msu.edu/research/publications/clash-new-multiple-images-constraining-inner-mass-profile-macs-j12062-084701835nas a2200637 4500008004100000245007600041210006900117260001200186490000800198100001300206700002000219700001600239700001900255700002300274700001800297700002300315700001800338700002400356700002300380700002400403700002200427700001900449700002100468700001500489700001800504700002000522700002200542700001700564700002200581700001500603700002000618700001400638700001800652700002000670700001800690700002700708700002000735700002000755700001700775700002500792700002200817700002100839700001400860700002200874700001600896700002200912700001900934700002400953700001400977700002400991700001901015700001601034700001801050700001801068856011101086 2012 eng d00aCLASH: Precise New Constraints on the Mass Profile Galaxy Cluster A22610 aCLASH Precise New Constraints on the Mass Profile Galaxy Cluster c09/20120 v7571 aCoe, Dan1 aUmetsu, Keiichi1 aZitrin, Adi1 aDonahue, Megan1 aMedezinski, Elinor1 aPostman, Marc1 aCarrasco, Mauricio1 aAnguita, Timo1 aGeller, Margaret, J1 aRines, Kenneth, J.1 aDiaferio, Antonaldo1 aKurtz, Michael, J1 aBradley, Larry1 aKoekemoer, Anton1 aZheng, Wei1 aNonino, Mario1 aMolino, Alberto1 aMahdavi, Andisheh1 aLemze, Doron1 aInfante, Leopoldo1 aOgaz, Sara1 aMelchior, Peter1 aHost, Ole1 aFord, Holland1 aGrillo, Claudio1 aRosati, Piero1 aJiménez-Teja, Yolanda1 aMoustakas, John1 aAscaso, Begoña1 aLahav, Ofer;1 aBartelmann, Matthias1 aBenítez, Narciso1 aBouwens, Rychard1 aGraur, Or1 aGraves, Genevieve1 aJha, Saurab1 aJouvel, Stephanie1 aKelson, Daniel1 aMoustakas, Leonidas1 aMaoz, Dan1 aMeneghetti, Massimo1 aMerten, Julian1 aRiess, Adam1 aRodney, Steve1 aSeitz, Stella uhttps://icer.msu.edu/research/publications/clash-precise-new-constraints-mass-profile-galaxy-cluster-a226100580nas a2200145 4500008004100000245009200041210006900133260003500202300001100237490000800248100001600256700002200272700002000294856012000314 2012 eng d00aDesigning Electrical Contacts to ${\mathrm{MoS}}_{2}$ Monolayers: A Computational Study0 aDesigning Electrical Contacts to mathrm MoS 2 Monolayers A Compu bAmerican Physical SocietycApr a1568020 v1081 aPopov, Igor1 aSeifert, Gotthard1 aTománek, David uhttps://icer.msu.edu/research/publications/designing-electrical-contacts-mathrmmos-2-monolayers-computational-study01463nas a2200145 4500008004100000245007000041210006900111300001100180490000700191520100600198100002101204700001901225700001801244856005501262 2012 eng d00aEvolution and stability of altruist strategies in microbial games0 aEvolution and stability of altruist strategies in microbial game a0119140 v853 aWhen microbes compete for limited resources, they often engage in chemical warfare using bacterial toxins. This competition can be understood in terms of evolutionary game theory ({EGT).} We study the predictions of {EGT} for the bacterial “suicide bomber” game in terms of the phase portraits of population dynamics, for parameter combinations that cover all interesting games for two-players, and seven of the 38 possible phase portraits of the three-player game. We compare these predictions to simulations of these competitions in finite well-mixed populations, but also allowing for probabilistic rather than pure strategies, as well as Darwinian adaptation over tens of thousands of generations. We find that Darwinian evolution of probabilistic strategies stabilizes games of the rock-paper-scissors type that emerge for parameters describing realistic bacterial populations, and point to ways in which the population fixed point can be selected by changing those parameters.

1 aAdami, Christoph1 aSchossau, Jory1 aHintze, Arend uhttp://link.aps.org/doi/10.1103/PhysRevE.85.01191400612nas a2200157 4500008004100000245010000041210006900141100001800210700001700228700001500245700002100260700001900281700002100300700001200321856012100333 2012 eng d00aExpression profiling of Cucumis sativus in response to infection by Pseudoperonospora cubensis0 aExpression profiling of Cucumis sativus in response to infection1 aBuell, C., R.1 aAdhikari, B.1 aSavory, E.1 aVaillancourt, B.1 aChilds, K., L.1 aHamilton, J., P.1 aDay, B. uhttps://icer.msu.edu/research/publications/expression-profiling-cucumis-sativus-response-infection-pseudoperonospora00575nas a2200157 4500008004100000245007200041210006900113260003500182300001100217490000800228100001700236700002200253700001800275700002000293856010400313 2012 eng d00aHelicity in Ropes of Chiral Nanotubes: Calculations and Observation0 aHelicity in Ropes of Chiral Nanotubes Calculations and Observati bAmerican Physical SocietycJun a2355010 v1081 aTeich, David1 aSeifert, Gotthard1 aIijima, Sumio1 aTománek, David uhttps://icer.msu.edu/research/publications/helicity-ropes-chiral-nanotubes-calculations-observation00554nas a2200145 4500008004100000245008200041210006900123300001400192490000700206100001300213700002100226700002000247700001700267856012400284 2012 eng d00aIntra-aggregate pore characteristics: X-ray computed microtomography analysis0 aIntraaggregate pore characteristics Xray computed microtomograph a1159-11710 v761 aWang, W.1 aKravchenko, A.N.1 aSmucker, A.J.M.1 aRivers, M.L. uhttps://icer.msu.edu/research/publications/intra-aggregate-pore-characteristics-x-ray-computed-microtomography-analysis01554nas a2200529 4500008004100000245007700041210006900118260001200187490000800199100001500207700001800222700001600240700002000256700001600276700002200292700001500314700002000329700001900349700001300368700002700381700002300408700001800431700002200449700001800471700002200489700002100511700002100532700002300553700002500576700002000601700001900621700002000640700002200660700002000682700002300702700001600725700001700741700002000758700002400778700001900802700001800821700001500839700001800854700002000872700002300892856010900915 2012 eng d00aA magnified young galaxy from about 500 million years after the Big Bang0 amagnified young galaxy from about 500 million years after the Bi c09/20120 v4891 aZheng, Wei1 aPostman, Marc1 aZitrin, Adi1 aMoustakas, John1 aShu, Xinwen1 aJouvel, Stephanie1 aHøst, Ole1 aMolino, Alberto1 aBradley, Larry1 aCoe, Dan1 aMoustakas, Leonidas, A1 aCarrasco, Mauricio1 aFord, Holland1 aBenítez, Narciso1 aLauer, Tod, R1 aSeitz, Stella;, B1 aBouwens, Rychard1 aKoekemoer, Anton1 aMedezinski, Elinor1 aBartelmann, Matthias1 aBroadhurst, Tom1 aDonahue, Megan1 aGrillo, Claudio1 aInfante, Leopoldo1 aJha, Saurabh, W1 aKelson, Daniel, D.1 aLahav, Ofer1 aLemze, Doron1 aMelchior, Peter1 aMeneghetti, Massimo1 aMerten, Julian1 aNonino, Mario1 aOgaz, Sara1 aRosati, Piero1 aUmetsu, Keiichi1 avan der Wel, Arjen uhttps://icer.msu.edu/research/publications/magnified-young-galaxy-about-500-million-years-after-big-bang01334nas a2200493 4500008004100000245015700041210006900198260001200267490000800279100001600287700001300303700002200316700001300338700001400351700001400365700001400379700001300393700001500406700001200421700001800433700001500451700001400466700001500480700001300495700001500508700001400523700001300537700001300550700001400563700001200577700001400589700001400603700001500617700001500632700001100647700001800658700001800676700001500694700001500709700001500724700001400739700001500753856007200768 2012 eng d00aMass Measurements of the Neutron-Deficient 41Ti, 45Cr, 49Fe, and 53Ni Nuclides: ￼First Test of the Isobaric Multiplet Mass Equation in fp-Shell Nuclei0 aMass Measurements of the NeutronDeficient 41Ti 45Cr 49Fe and 53N c09/20120 v1091 aZhang, Y.H.1 aXu, H.S.1 aLitvinov, Yu., A.1 aTu, X.L.1 aYan, X.L.1 aTypel, S.1 aBlaum, K.1 aWang, M.1 aZhou, X.H.1 aSun, Y.1 aBrown, B., A.1 aYuan, Y.J.1 aXia, J.W.1 aYang, J.C.1 aAudi, G.1 aChen, X.C.1 aJia, G.B.1 aHu, Z.G.1 aMa, X.W.1 aMao, R.S.1 aMei, B.1 aShuai, P.1 aSun, Z.Y.1 aWang, S.T.1 aXiao, G.Q.1 aXu, X.1 aYamaguchi, T.1 aYamaguchi, Y.1 aZang, Y.D.1 aZhao, H.W.1 aZhao, T.C.1 aZhang, W.1 aZhan, W.L. uhttp://journals.aps.org/prl/abstract/10.1103/PhysRevLett.109.10250100600nas a2200145 4500008004100000245011800041210006900159100001500228700001700243700002100260700002100281700001800302700001200320856012200332 2012 eng d00amRNA-Seq analysis of the Pseudoperonospora cubensis transcriptome during cucumber (Cucumis sativus L.) infection0 amRNASeq analysis of the Pseudoperonospora cubensis transcriptome1 aSavory, E.1 aAdhikari, B.1 aHamilton, J., P.1 aVaillancourt, B.1 aBuell, C., R.1 aDay, B. uhttps://icer.msu.edu/research/publications/mrna-seq-analysis-pseudoperonospora-cubensis-transcriptome-during-cucumber00561nas a2200157 4500008004100000245006000041210006000101260003500161300001100196490000800207100001700215700002900232700002200261700002000283856010000303 2012 eng d00aNanomechanical energy storage in twisted nanotube ropes0 aNanomechanical energy storage in twisted nanotube ropes bAmerican Physical SocietycDec a2555010 v1091 aTeich, David1 aFthenakis, Zacharias, G.1 aSeifert, Gotthard1 aTománek, David uhttps://icer.msu.edu/research/publications/nanomechanical-energy-storage-twisted-nanotube-ropes00745nas a2200205 4500008004100000245008900041210006900130300001600199490000600215100001900221700001800240700002200258700002200280700001700302700002400319700002700343700002400370700002000394856012500414 2012 eng d00aSynthesis and Transformation of Linear Adamantane Assemblies inside Carbon Nanotubes0 aSynthesis and Transformation of Linear Adamantane Assemblies ins a8674–86830 v61 aZhang, Jinying1 aFeng, Yanquan1 aIshiwata, Hitoshi1 aMiyata, Yasumitsu1 aKitaura, Ryo1 aDahl, Jeremy, E. P.1 aCarlson, Robert, M. K.1 aShinohara, Hisanori1 aTománek, David uhttps://icer.msu.edu/research/publications/synthesis-transformation-linear-adamantane-assemblies-inside-carbon-nanotubes00583nas a2200145 4500008004100000245011100041210006900152300001200221490000800233100001300241700002100254700002000275700001700295856012500312 2011 eng d00aComparison of image segmentation methods in simulated 2D and 3D microtomographic images of soil aggregates0 aComparison of image segmentation methods in simulated 2D and 3D a231-2410 v1621 aWang, W.1 aKravchenko, A.N.1 aSmucker, A.J.M.1 aRivers, M.L. uhttps://icer.msu.edu/research/publications/comparison-image-segmentation-methods-simulated-2d-3d-microtomographic-images00554nas a2200145 4500008004100000245009200041210006900133300001400202490000700216100002100223700001300244700002000257700001700277856011400294 2011 eng d00aLong-term differences in tillage and land use affect intra-aggregate pore heterogeneity0 aLongterm differences in tillage and land use affect intraaggrega a1658-16660 v751 aKravchenko, A.N.1 aWang, W.1 aSmucker, A.J.M.1 aRivers, M.L. uhttps://icer.msu.edu/research/publications/long-term-differences-tillage-land-use-affect-intra-aggregate-pore00695nas a2200181 4500008004100000245010800041210006900149300000800218490000800226653002800234653002500262653003000287100001800317700002000335700001800355700001900373856012100392 2011 eng d00aThe Nature of the Warm/Hot Intergalactic Medium. I. Numerical Methods, Convergence, and O VI Absorption0 aNature of the WarmHot Intergalactic Medium I Numerical Methods C a6-+0 v73110acosmology: observations10aintergalactic medium10aquasars: absorption lines1 aSmith, B., D.1 aHallman, E., J.1 aShull, J., M.1 aO'Shea, B., W. uhttps://icer.msu.edu/research/publications/nature-warm-hot-intergalactic-medium-i-numerical-methods-convergence-o-vi00480nas a2200121 4500008004100000245007900041210006900120100001400189700001800203700001800221700001400239856010500253 2011 eng d00aOn the Performance of Indirect Encoding Across the Continuum of Regularity0 aPerformance of Indirect Encoding Across the Continuum of Regular1 aClune, J.1 aStanley, K.O.1 aPennock, R.T.1 aOfria, C. uhttps://icer.msu.edu/research/publications/performance-indirect-encoding-across-continuum-regularity00613nas a2200169 4500008004100000245008300041210006900124300001400193490000800207100001800215700002000233700001900253700001700272700001800289700001700307856011900324 2011 eng d00aSecond-order selection for evolvability in a large Escherichia coli population0 aSecondorder selection for evolvability in a large Escherichia co a1433-14360 v3311 aWoods, R., J.1 aBarrick, J., E.1 aCooper, T., F.1 aShrestha, U.1 aKauth, M., R.1 aLenski, R.E. uhttps://icer.msu.edu/research/publications/second-order-selection-evolvability-large-escherichia-coli-population-000580nas a2200157 4500008004100000245008300041210006900124490000800193100001800201700001500219700001900234700001700253700001800270700001700288856011700305 2011 eng d00aSecond-order selection for evolvability in a large Escherichia coli population0 aSecondorder selection for evolvability in a large Escherichia co0 v3311 aWoods, R., J.1 aBarrick, E1 aCooper, T., F.1 aShrestha, U.1 aKauth, M., R.1 aLenski, R.E. uhttps://icer.msu.edu/research/publications/second-order-selection-evolvability-large-escherichia-coli-population01655nas a2200157 4500008004100000245010300041210006900144260001200213300001200225490000700237520107200244100001901316700002401335700001801359856012001377 2010 eng d00aEffect of membrane thickness on conformational sampling of phospholamban from computer simulations0 aEffect of membrane thickness on conformational sampling of phosp c03/2010 a805-8140 v983 aThe conformational sampling of monomeric, membrane-bound phospholamban is described from computer simulations. Phospholamban (PLB) plays a key role as a regulator of sarcoplasmic reticulum calcium ATPase. An implicit membrane model is used in conjunction with replica exchange molecular dynamics simulations to reach μs-ms timescales. The implicit membrane model was also used to study the effect of different membrane thicknesses by scaling the low-dielectric region. The conformational sampling with the membrane model mimicking dipalmitoylphosphatidylcholine bilayers is in good agreement overall with experimental measurements, but consists of a wide variety of different conformations including structures not described previously. The conformational ensemble shifts significantly in the presence of thinner or thicker membranes. This has implications for the structure and dynamics of PLB in physiological membranes and offers what we believe to be a new interpretation of previous experimental measurements of PLB in detergents and microsomal membrane.

1 aSayadi, Maryam1 aTanizaki, Seiichiro1 aFeig, Michael uhttps://icer.msu.edu/research/publications/effect-membrane-thickness-conformational-sampling-phospholamban-computer00577nas a2200145 4500008004100000245010100041210006900142300001400211490000700225100002000232700001800252700002200270700001700292856012200309 2010 eng d00aEscherichia coli rpoB mutants have increased evolvability in proportion to their fitness defects0 aEscherichia coli rpoB mutants have increased evolvability in pro a1338-13470 v271 aBarrick, J., E.1 aKauth, M., R.1 aStrelioff, C., C.1 aLenski, R.E. uhttps://icer.msu.edu/research/publications/escherichia-coli-rpob-mutants-have-increased-evolvability-proportion-their00680nas a2200157 4500008004100000245012900041210006900170653006000239100002100299700000500320700001900325700001800344700001800362700001700380856012500397 2010 eng d00aGalaxy Cluster Radio Relics in Adaptive Mesh Refinement Cosmological Simulations: Relic Properties and Scaling Relationships0 aGalaxy Cluster Radio Relics in Adaptive Mesh Refinement Cosmolog10aAstrophysics - Cosmology and Extragalactic Astrophysics1 aSkillman, S., W.1 a1 aO'Shea, B., W.1 aBurns, J., O.1 aSmith, B., D.1 aTurk, M., J. uhttps://icer.msu.edu/research/publications/galaxy-cluster-radio-relics-adaptive-mesh-refinement-cosmological-simulations00758nas a2200205 4500008004100000245009500041210006900136300001400205490000800219653002800227653002200255653001800277653002500295653002300320653003100343100001800374700002100392700001900413856012000432 2010 eng d00aGalaxy Clusters at the Edge: Temperature, Entropy, and Gas Dynamics Near the Virial Radius0 aGalaxy Clusters at the Edge Temperature Entropy and Gas Dynamics a1105-11120 v72110acosmology: observations10acosmology: theory10ahydrodynamics10aintergalactic medium10amethods: numerical10aX-rays: galaxies: clusters1 aBurns, J., O.1 aSkillman, S., W.1 aO'Shea, B., W. uhttps://icer.msu.edu/research/publications/galaxy-clusters-edge-temperature-entropy-gas-dynamics-near-virial-radius00457nas a2200121 4500008004100000245006400041210006400105100001800169700001600187700001100203700001900214856010200233 2010 eng d00aOne Class Matrix Completion with Low Density Factorizations0 aOne Class Matrix Completion with Low Density Factorizations1 aSindhwani, V.1 aBucak, S.S.1 aHu, J.1 aMojsilovic, A. uhttps://icer.msu.edu/research/publications/one-class-matrix-completion-low-density-factorizations02260nas a2200133 4500008004100000245014300041210006900184260001200253490000700265520169300272100001901965700001901984856012302003 2010 eng d00aA Process-Based, Distributed Hydrologic Model Based on a Large-Scale Method for Surface - Subsurface Coupling, Advances in Water Resources0 aProcessBased Distributed Hydrologic Model Based on a LargeScale c09/20100 v333 aProcess-based watershed models are useful tools for understanding the impacts of natural and anthropogenic influences on water resources and for predicting water and solute fluxes exported from watersheds to receiving water bodies. The applicability of process-based hydrologic models has been previously limited to small catchments and short time frames. Computational demands, especially the solution to the three-dimensional subsurface flow domain, continue to pose significant constraints. This paper documents the mathematical development, numerical testing and the initial application of a new distributed hydrologic model PAWS (Process-based Adaptive Watershed Simulator). The model solves the governing equations for the major hydrologic processes efficiently so that large scale applications become relevant. PAWS evaluates the integrated hydrologic response of the surface–subsurface system using a novel non-iterative method that couples runoff and groundwater flow to vadose zone processes approximating the 3D Richards equation. The method is computationally efficient and produces physically consistent solutions. All flow components have been independently verified using analytical solutions and experimental data where applicable. The model is applied to a medium-sized watershed in Michigan (1169 km2) achieving high performance metrics in terms of streamflow prediction at two gages during the calibration and verification periods. PAWS uses public databases as input and possesses full capability to interact with GIS datasets. Future papers will describe applications to other watersheds and the development and application of fate and transport modules.

1 aShen, Chaopeng1 aPhanikumar, M. uhttps://icer.msu.edu/research/publications/process-based-distributed-hydrologic-model-based-large-scale-method-surface00852nas a2200241 4500008004100000245009300041210006900134260000800203300001400211490000800225653004400233653003800277653002300315653003100338100002000369700002100389700000500410700001800415700001900433700001800452700001900470856012100489 2010 eng d00aThe Properties of X-ray Cold Fronts in a Statistical Sample of Simulated Galaxy Clusters0 aProperties of Xray Cold Fronts in a Statistical Sample of Simula cdec a1053-10680 v72510agalaxies: clusters: intracluster medium10alarge-scale structure of universe10amethods: numerical10aX-rays: galaxies: clusters1 aHallman, E., J.1 aSkillman, S., W.1 a1 aSmith, B., D.1 aO'Shea, B., W.1 aBurns, J., O.1 aNorman, M., L. uhttps://icer.msu.edu/research/publications/properties-x-ray-cold-fronts-statistical-sample-simulated-galaxy-clusters01289nas a2200205 4500008004100000245006500041210006500106260001200171300001100183490000800194520066500202100001800867700001900885700002000904700001600924700001100940700001800951700002000969856009400989 2009 eng d00aConstraints on the Density Dependence of the Symmetry Energy0 aConstraints on the Density Dependence of the Symmetry Energy c03/2009 a1227010 v1023 aCollisions involving {112Sn} and {124Sn} nuclei have been simulated with the improved quantum molecular dynamics transport model. The results of the calculations reproduce isospin diffusion data from two different observables and the ratios of neutron and proton spectra. By comparing these data to calculations performed over a range of symmetry energies at saturation density and different representations of the density dependence of the symmetry energy, constraints on the density dependence of the symmetry energy at subnormal density are obtained. The results from the present work are compared to constraints put forward in other recent analyses.

1 aTsang, M., B.1 aZhang, Yingxun1 aDanielewicz, P.1 aFamiano, M.1 aLi, Z.1 aLynch, W., G.1 aSteiner, A., W. uhttps://icer.msu.edu/research/publications/constraints-density-dependence-symmetry-energy01687nas a2200145 4500008004100000245011000041210006900151260002800220520109700248100001901345700001701364700001901381700001601400856012501416 2009 eng d00aExperimental and Computational Analysis of Fuel Mixing in a Low Pressure Direct Injection Gasoline Engine0 aExperimental and Computational Analysis of Fuel Mixing in a Low aVail, Coloradoc07/20093 aAn experimental and computational investigation of the fuel spray mixing in an optically accessible single-cylinder direct-injection engine under realistic operating conditions was performed. High speed flow visualization in the op- tical engine was performed with images taken at a rate of 10,000 frames per second. The numerical simulations were carried out using the KIVA-3V software, which uses the discrete particle method for modeling the spray, with the secondary droplet breakup modeled by the Taylor Analogy Breakup (TAB) model. The nozzle configuration, jet orientation, injection flow rate and other injection parameters were matched with the experimental conditions. The simulated spray patterns in the cylinder were shown to compare well with the fuel distribution images obtained from the high speed flow visualization. The computational and experimental results for the fuel impingement on the cyl- inder walls, piston and valves, and those for the spark plug wetting and evaporated fuel mixing indicate the strong dependency of the fuel-air mixing to the spray pattern.

1 aSrivastava, S.1 aJaberi, F.A.1 aSchock, Harold1 aHung, David uhttps://icer.msu.edu/research/publications/experimental-computational-analysis-fuel-mixing-low-pressure-direct-injection01658nas a2200133 4500008004100000245006400041210006300105260005900168520114000227100002001367700001901387700001701406856010101423 2009 eng d00aLES/FMDF of Spray Combustion in Internal Combustion Engines0 aLESFMDF of Spray Combustion in Internal Combustion Engines aAnn Arbor, MichiganbThe Combustion Institutec05/20063 aThe two-phase filtered mass density function (FMDF) model is employed for large-eddy simulation (LES) of turbulent spray combustion in internal combustion (IC) engines. The LES/FMDF is implemented with an efficient, hybrid numerical method. In this method, the filtered compressible Navier-Stokes equations in curvilinear coordinate systems are solved with a generalized, high-order, multi-block, compact differencing scheme. The spray and the FMDF are implemented with Lagrangian methods. The LES/FMDF methodology has been used for simulations of turbulent combustion in a rapid compression machine (RCM) and in a direct-injection spark-ignition (DISI) engine. For both RCM and DISI engine, the complex interactions among turbulent velocity, fuel droplets and combustion are shown to be well captured with the LES/FMDF. The results for the DISI engine indicate that the size, velocity, evaporation and combustion of the sprayed fuel droplets are strongly affected by the unsteady, vortical motions generated by the incoming air during the intake stroke. In turn, the droplets are found to change the in-cylinder flow structure.

1 aBanaeizadeh, A.1 aSchock, Harold1 aJaberi, F.A. uhttps://icer.msu.edu/research/publications/les-fmdf-spray-combustion-internal-combustion-engines01341nas a2200145 4500008004100000245009000041210006900131260005000200520075100250100001901001700001901020700001701039700001601056856012301072 2009 eng d00aNumerical Simulation of a Direct-Injection Spark-Ignition Engine with Different Fuels0 aNumerical Simulation of a DirectInjection SparkIgnition Engine w aDetroit, MichiganbSAE Internationalc04/20093 aThis paper focuses on the numerical investigation of the mixing and combustion of ethanol and gasoline in a single-cylinder 3-valve direct-injection spark-ignition engine. The numerical simulations are conducted with the KIVA code with global reaction models. However, an ignition delay model mitigates some of the deficiencies of the global one-step reaction model and is implemented via a two-dimensional look-up table, which was created using available detailed kinetics models. Simulations demonstrate the problems faced by ethanol operated engines and indicate that some of the strategies used for emission control and downsizing of gasoline engines can be employed for enhancing the combustion efficiency of ethanol operated engines.

1 aSrivastava, S.1 aSchock, Harold1 aJaberi, F.A.1 aHung, David uhttps://icer.msu.edu/research/publications/numerical-simulation-direct-injection-spark-ignition-engine-different-fuels03043nas a2200133 4500008004100000245009200041210006900133260005000202300000800252490001000260520249600270100001902766856012402785 2009 eng d00aA process-based distributed hydrologic model and its application to a Michigan watersed0 aprocessbased distributed hydrologic model and its application to aEast LansingbMichigan State Universityc2009 a2880 vPh.D.3 aThe PAWS (Process-based Adaptive Watershed Simulator) model is a novel distributed hydrologic model that is based on solving partial differential equations (PDE) for physical conservation laws of the hydrologic cycle. The objective is to create an efficient physically-based modeling framework to describe the linkages between processes at different scales and to improve the applicability of physically-based models. The model simulates evapotranspiration, overland flow, channel flow, unsaturated soil moisture, groundwater flow, depression storage, vegetation growth and snowpack. PAWS focuses on the dynamic surface- subsurface interactions and integrated responses by efficiently coupling runoff and groundwater flow to the vadose zone processes governed by the Richards equation. This novel approach solves a long-standing bottleneck in PDE-based subsurface flow modeling by removing the computational limitations while maintaining physically consistent solutions. Surface flow is solved by ail efficient Runge-Kutta Finite Volume (RKFV) scheme. We follow the Freeze and Harlan (1969) blueprint in that we believe each component of the model should be verifiable by itself. All flow components have been independently verified using analytical solutions and experimental data where applicable. PAWS utilizes readily available data from national databases. The model is applied to a medium-sized watershed in Michigan achieving high performance metrics in terms of streamflow prediction at two gages during the calibration period and the verification period. The baseflow flow periods are described particularly well. Starting from a rough initial estimate of the groundwater heads, the model describes the observed groundwater heads well (R 2 =0.98). The annual hydrologic fluxes are close to those estimated by a calibrated SWAT model. The model is considerably less expensive than previous physically-based models of similar complexity. The model is able to elucidate the complex interactions of processes in space and time. Such detailed, quantitative and mechanistic descriptions cannot be produced by conceptual models. The watershed is found to be a subsurface-dominated system with saturation excess being the main runoff generation mechanism. Infiltration, recharge and ET are also found to be strongly related to topography and groundwater flow. The large seasonal variation of energy input drives the strong annual cycle and markedly different responses in streamflow.

1 aShen, Chaopeng uhttps://icer.msu.edu/research/publications/process-based-distributed-hydrologic-model-its-application-michigan-watersed03073nas a2200133 4500008004100000020001800041245009300059210006900152260005300221490002500274520249600299100001902795856012502814 2009 eng d a978110964010600aA process-based distributed hydrologic model and its application to a Michigan watershed0 aprocessbased distributed hydrologic model and its application to aEast LansingbMichigan State Universityc08/20100 vDoctor of Philosophy3 aThe PAWS (Process-based Adaptive Watershed Simulator) model is a novel distributed hydrologic model that is based on solving partial differential equations (PDE) for physical conservation laws of the hydrologic cycle. The objective is to create an efficient physically-based modeling framework to describe the linkages between processes at different scales and to improve the applicability of physically-based models. The model simulates evapotranspiration, overland flow, channel flow, unsaturated soil moisture, groundwater flow, depression storage, vegetation growth and snowpack. PAWS focuses on the dynamic surface- subsurface interactions and integrated responses by efficiently coupling runoff and groundwater flow to the vadose zone processes governed by the Richards equation. This novel approach solves a long-standing bottleneck in PDE-based subsurface flow modeling by removing the computational limitations while maintaining physically consistent solutions. Surface flow is solved by ail efficient Runge-Kutta Finite Volume (RKFV) scheme. We follow the Freeze and Harlan (1969) blueprint in that we believe each component of the model should be verifiable by itself. All flow components have been independently verified using analytical solutions and experimental data where applicable. PAWS utilizes readily available data from national databases. The model is applied to a medium-sized watershed in Michigan achieving high performance metrics in terms of streamflow prediction at two gages during the calibration period and the verification period. The baseflow flow periods are described particularly well. Starting from a rough initial estimate of the groundwater heads, the model describes the observed groundwater heads well (R 2 =0.98). The annual hydrologic fluxes are close to those estimated by a calibrated SWAT model. The model is considerably less expensive than previous physically-based models of similar complexity. The model is able to elucidate the complex interactions of processes in space and time. Such detailed, quantitative and mechanistic descriptions cannot be produced by conceptual models. The watershed is found to be a subsurface-dominated system with saturation excess being the main runoff generation mechanism. Infiltration, recharge and ET are also found to be strongly related to topography and groundwater flow. The large seasonal variation of energy input drives the strong annual cycle and markedly different responses in streamflow.

1 aShen, Chaopeng uhttps://icer.msu.edu/research/publications/process-based-distributed-hydrologic-model-its-application-michigan-watershed00586nas a2200193 4500008004100000245004700041210004700088260001200135490000800147100001900155700001800174700001900192700001800211700002100229700002200250700001900272700002000291856008100311 2009 eng d00aProtecting the Amazon with Protected Areas0 aProtecting the Amazon with Protected Areas c08/20090 v1061 aWalker, Robert1 aMoore, Nathan1 aArima, Eugenio1 aPerz, Stephen1 aSimmons, Cynthia1 aCaldas, Marcellus1 aVergara, Dante1 aBohrer, Claudio uhttps://icer.msu.edu/research/publications/protecting-amazon-protected-areas00872nas a2200241 4500008004100000245011600041210006900157260000800226300001400234490000800248653003200256653002800288653002200316653003200338653001800370653002300388100002000411700001900431700001800450700001800468700001900486856012500505 2009 eng d00aThe Santa Fe Light Cone Simulation Project. II. The Prospects for Direct Detection of the Whim with SZE Surveys0 aSanta Fe Light Cone Simulation Project II The Prospects for Dire cjun a1795-18020 v69810acosmic microwave background10acosmology: observations10acosmology: theory10agalaxies: clusters: general10ahydrodynamics10amethods: numerical1 aHallman, E., J.1 aO'Shea, B., W.1 aSmith, B., D.1 aBurns, J., O.1 aNorman, M., L. uhttps://icer.msu.edu/research/publications/santa-fe-light-cone-simulation-project-ii-prospects-direct-detection-whim-sze01591nas a2200217 4500008004100000245007600041210006900117260001200186300001100198490000800209520092200217100001801139700001501157700001501172700001601187700001401203700001201217700001801229700001501247856011101262 2009 eng d00aSurvey of Excited State Neutron Spectroscopic Factors for Z=8-28 Nuclei0 aSurvey of Excited State Neutron Spectroscopic Factors for Z828 N c01/2009 a0625010 v1023 aWe have extracted 565 neutron spectroscopic factors of sd and fp shell nuclei by systematically analyzing more than 2000 measured (d, p) angular distributions. We are able to compare 125 of the extracted spectroscopic factors to values predicted by large-basis shell-model calculations and evaluate the accuracies of spectroscopic factors predicted by different shell-model interactions in these regions. We find that the spectroscopic factors predicted for most excited states of sd-shell nuclei using the latest {USDA} or {USDB} interactions agree with the experimental values. For fp shell nuclei, the inability of the current models to account for the core excitation and fragmentation of the states leads to considerable discrepancies. In particular, the agreement between data and shell-model predictions for Ni isotopes is not better than a factor of 2 using either the {GXPF1A} or the {XT} interaction.

1 aTsang, M., B.1 aLee, Jenny1 aSu, S., C.1 aDai, J., Y.1 aHoroi, M.1 aLiu, H.1 aLynch, W., G.1 aWarren, S. uhttps://icer.msu.edu/research/publications/survey-excited-state-neutron-spectroscopic-factors-z8-28-nuclei00639nas a2200193 4500008004100000245007100041210006900112260000800181300001200189490000800201653001900209653002100228100001800249700001700267700001900284700001900303700001900322856010400341 2009 eng d00aThree Modes of Metal-Enriched Star Formation in the Early Universe0 aThree Modes of MetalEnriched Star Formation in the Early Univers cjan a441-4510 v69110aearly universe10astars: formation1 aSmith, B., D.1 aTurk, M., J.1 aSigurdsson, S.1 aO'Shea, B., W.1 aNorman, M., L. uhttps://icer.msu.edu/research/publications/three-modes-metal-enriched-star-formation-early-universe00743nas a2200205 4500008004100000245010000041210006900141300001400210490000800224653002200232653001800254653002100272653002300293100002100316700001900337700002000356700001800376700001900394856012400413 2008 eng d00aCosmological Shocks in Adaptive Mesh Refinement Simulations and the Acceleration of Cosmic Rays0 aCosmological Shocks in Adaptive Mesh Refinement Simulations and a1063-10770 v68910acosmology: theory10ahydrodynamics10aISM: Cosmic Rays10amethods: numerical1 aSkillman, S., W.1 aO'Shea, B., W.1 aHallman, E., J.1 aBurns, J., O.1 aNorman, M., L. uhttps://icer.msu.edu/research/publications/cosmological-shocks-adaptive-mesh-refinement-simulations-acceleration-cosmic00670nas a2200193 4500008004100000245007800041210006900119260000800188300001200196490000800208653003000216653002200246653002200268100001900290700001900309700001400328700001900342856011500361 2008 eng d00aHow the First Stars Regulated Local Star Formation. I. Radiative Feedback0 aHow the First Stars Regulated Local Star Formation I Radiative F cjun a925-9410 v67910aCosmology: Early Universe10acosmology: theory10aISM: H II Regions1 aWhalen, D., J.1 aO'Shea, B., W.1 aSmidt, J.1 aNorman, M., L. uhttps://icer.msu.edu/research/publications/how-first-stars-regulated-local-star-formation-i-radiative-feedback02418nas a2200169 4500008004100000245011500041210006900156260001100225300001400236490000700250520174400257653007702001100001102078700001702089700001902106856012302125 2008 eng d00aA Hybrid Langrangian-Eulerian Particle-Level Set Method for numerical Simulations of Two-Fluid Turbulent Flows0 aHybrid LangrangianEulerian ParticleLevel Set Method for numerica c4/2008 a2271-23000 v563 aA coupled Lagrangian interface-tracking and Eulerian level set (LS) method is developed and implemented for numerical simulations of two-fluid flows. In this method, the interface is identified based on the locations of notional particles and the geometrical information concerning the interface and fluid properties, such as density and viscosity, are obtained from the LS function. The LS function maintains a signed distance function without an auxiliary equation via the particle-based Lagrangian re-initialization technique. To assess the new hybrid method, numerical simulations of several ‘standard interface-moving’ problems and two-fluid laminar and turbulent flows are conducted. The numerical results are evaluated by monitoring the mass conservation, the turbulence energy spectral density function and the consistency between Eulerian and Lagrangian components. The results of our analysis indicate that the hybrid particle-level set method can handle interfaces with complex shape change, and can accurately predict the interface values without any significant (unphysical) mass loss or gain, even in a turbulent flow. The results obtained for isotropic turbulence by the new particle-level set method are validated by comparison with those obtained by the ‘zero Mach number’, variable-density method. For the cases with small thermal/mass diffusivity, both methods are found to generate similar results. Analysis of the vorticity and energy equations indicates that the destabilization effect of turbulence and the stability effect of surface tension on the interface motion are strongly dependent on the density and viscosity ratios of the fluids. Copyright q 2007 John Wiley & Sons, Ltd.

10atwo-fluid turbulent flows; particle-level set method; interface tracking1 aLi, Z.1 aJaberi, F.A.1 aShih, T., I-P. uhttps://icer.msu.edu/research/publications/hybrid-langrangian-eulerian-particle-level-set-method-numerical-simulations01959nas a2200157 4500008004100000020002200041245006000063210006000123260003800183520141500221100002001636700001601656700001701672700001501689856009701704 2008 eng d a978-0-7918-4327-700aLarge Eddy Simulations of Turbulent Flows in IC Engines0 aLarge Eddy Simulations of Turbulent Flows in IC Engines aBrooklyn, New YorkbASMEc08/20083 aA new computational methodology is developed and tested for large eddy simulation (LES) of turbulent flows in internal combustion (IC) engines. In this methodology, the filtered compressible Navier-Stokes equations in curvilinear coordinate systems are solved via a generalized, high-order, multi-block, compact differencing scheme and various subgrid-scale (SGS) stress closures. Both reacting and nonreacting flows with and without spray are considered. The LES models have been applied to a piston-cylinder assembly with a stationary open valve and harmonically moving flat piston. The flow in a direct-injection spark-ignition (DISI) engine is also considered. It is observed that during the intake stroke of the engine operation, large-scale unsteady turbulent flow motions are developed behind the intake valves. The physical features of these turbulent motions and the ability of LES to capture them are studied and tested by simulating the flow in a simple configuration involving a stationary valve. The flow statistics predicted by LES are shown to compare well with the available experimental data. The DISI configuration includes all the complexities involved in a realistic single-cylinder IC engine, such as the complex geometry, moving valves, moving piston, spray and combustion. The spray combustion is simulated with the recently developed two-phase filtered mass density (FMDF) model.

1 aBanaeizadeh, A.1 aAfshari, A.1 aJaberi, F.A.1 aSchock, H. uhttps://icer.msu.edu/research/publications/large-eddy-simulations-turbulent-flows-ic-engines00667nas a2200181 4500008004100000245010900041210006900150260003000219300001300249490000600262100001400268700001600282700001400298700001700312700001600329700001700345856012300362 2008 eng d00aNatural selection fails to optimize mutation rates for long-term adaptation on rugged fitness landscapes0 aNatural selection fails to optimize mutation rates for longterm bPublic Library of Science ae10001870 v41 aClune, J.1 aMisevic, D.1 aOfria, C.1 aLenski, R.E.1 aElena, S.F.1 aSanjuán, R. uhttps://icer.msu.edu/research/publications/natural-selection-fails-optimize-mutation-rates-long-term-adaptation-rugged02436nas a2200205 4500008004100000245012200041210006900163260001200232300001400244490000800258520172300266100001701989700001602006700001402022700001402036700001902050700001802069700001802087856012502105 2008 eng d00aStereoelectronic Effects on Molecular Geometries and State-Energy Splittings of Ligated Monocopper Diozygen Complexes0 aStereoelectronic Effects on Molecular Geometries and StateEnergy c03/2008 a3754-37670 v1123 aThe relative energies of side-on versus end-on binding of molecular oxygen to a supported Cu(I) species, and the singlet versus triplet nature of the ground electronic state, are sensitive to the nature of the supporting ligands and, in particular, depend upon their geometric arrangement relative to the O2 binding site. Highly correlated ab initio and density functional theory electronic structure calculations demonstrate that optimal overlap (and oxidative charge transfer) occurs for the side-on geometry, and this is promoted by ligands that raise the energy, thereby enhancing resonance, of the filled Cu dxz orbital that hybridizes with the in-plane π* orbital of O2. Conversely, ligands that raise the energy of the filled Cu dz2 orbital foster a preference for end-on binding as this is the only mode that permits good overlap with the in-plane O2 π*. Because the overlap of Cu dz2 with O2 π* is reduced as compared to the overlap of Cu dxz with the same O2 orbital, the resonance is also reduced, leading to generally more stable triplet states relative to singlets in the end-on geometry as compared to the side-on geometry, where singlet ground states become more easily accessible once ligands are stronger donors. Biradical Cu(II)-O2 superoxide character in the electronic structure of the supported complexes leads to significant challenges for accurate quantum chemical calculations that are best addressed by exploiting the spin-purified M06L local density functional, single-reference completely renormalized coupled-cluster theory, or multireference second-order perturbation theory, all of which provide predictions that are qualitatively and quantitatively consistent with one another.

1 aCramer, C.J.1 aGour, J., R1 aKinal, A.1 aWloch, M.1 aPiecuch, Piotr1 aShahi, A.R.M.1 aGagliardi, L. uhttps://icer.msu.edu/research/publications/stereoelectronic-effects-molecular-geometries-state-energy-splittings-ligated01203nas a2200205 4500008004100000245005500041210005300096260001200149300001300161490000700174520063000181100001400811700001900825700001700844700001600861700001500877700001400892700001900906856007200925 2007 eng d00aCoupled-Cluster Theory for Three-Body Hamiltonians0 aCoupledCluster Theory for ThreeBody Hamiltonians c09/2007 a11 pages0 v763 aWe derive coupled-cluster equations for three-body Hamiltonians. The equations for the one- and two-body cluster amplitudes are presented in a factorized form that leads to an efficient numerical implementation. We employ low-momentum two- and three-nucleon interactions and calculate the binding energy of 4He. The results show that the main contribution of the three-nucleon interaction stems from its density-dependent zero-, one-, and two-body terms that result from the normal ordering of the Hamiltonian in coupled-cluster theory. The residual three-body terms that remain after normal ordering can be neglected.

1 aHagen, G.1 aPapenbrock, T.1 aDean, D., J.1 aSchwenk, A.1 aNHogga, A.1 aWloch, M.1 aPiecuch, Piotr uhttps://icer.msu.edu/coupled-cluster-theory-three-body-hamiltonians01318nas a2200133 4500008004100000245006100041210006000102260003200162520086300194100001601057700001701073700001901090856007501109 2007 eng d00aLES/FMDF of Turbulent Combustion in Complex Flow Systems0 aLESFMDF of Turbulent Combustion in Complex Flow Systems aReno, NevadabAIAAc01/20073 aA high-order Lagrangian/Eulerian method based on the the filtered mass density func- tion (FMDF) for subgrid-scale (SGS) combustion closure was developed to perform large eddy simulation (LES) of turbulent reacting flows in complex geometrical configurations in multi-block structured grids. In particular, an efficient algorithm has been developed to search and locate particles in multi-block, hexahedral-structured grid system. Also, the consistency, convergence, and accuracy of the FMDF and the Monte Carlo solution of its equivalent stochastic differential equations were assessed. The consistency between Eulerian and Lagrangian fields were established for a reacting flow in a dump combustor. The results obtained for a reacting flow in an axisymmetric, premixed dump-combustor, were found to compare favorably with measured experimental data.

1 aAfshari, A.1 aJaberi, F.A.1 aShih, T., I-P. uhttps://icer.msu.edu/lesfmdf-turbulent-combustion-complex-flow-systems01279nas a2200457 4500008004100000245014900041210006900190260001200259490000700271100001700278700001500295700001600310700001500326700001700341700001600358700001400374700001400388700001800402700001600420700001300436700001600449700001900465700001500484700001700499700001400516700001400530700001400544700001500558700001600573700001700589700001700606700001700623700001500640700001700655700001400672700001400686700001300700700001800713700001900731856007100750 2007 eng d00aShape and Structure of N = Z 64Ge: Electromagnetic Transition Rates from the Application ￼of the Recoil Distance Method to a Knockout Reaction0 aShape and Structure of N Z 64Ge Electromagnetic Transition Rates c07/20070 v991 aStarosta, K.1 aDewald, A.1 aDunomes, A.1 aAdrich, P.1 aAmthor, A.M.1 aBaumann, T.1 aBazin, D.1 aBowen, M.1 aBrown, B., A.1 aChester, A.1 aGade, A.1 aGalaviz, D.1 aGlasmacher, T.1 aGinter, T.1 aHausmann, M.1 aHoroi, M.1 aJolie, J.1 aMelon, B.1 aMiller, D.1 aMoeller, V.1 aNorris, R.P.1 aPissulla, T.1 aPortillo, M.1 aRother, W.1 aShimbara, Y.1 aStolz, A.1 aVaman, C.1 aVoss, P.1 aWeisshaar, D.1 aZelevinsky, V. uhttp://journals.aps.org/prl/abstract/10.1103/PhysRevLett.99.04250301096nas a2200385 4500008004100000245011100041210006900152260001200221490000700233100001400240700001700254700001400271700001800285700001800303700001900321700001600340700001500356700001600371700001300387700001600400700001900416700002600435700001400461700001500475700001600490700002000506700001700526700001700543700001400560700001600574700001400590700001900604700001600623856007100639 2007 eng d00aZ = 0 Shell Gap near 100Sn from Intermediate-Energy Coulomb Excitations ￼in Even-Mass 106-112Sn Isotopes0 aZ 0 Shell Gap near 100Sn from IntermediateEnergy Coulomb Excitat c10/20070 v991 aVaman, C.1 aAndreoiu, C.1 aBazin, D.1 aBeccerril, A.1 aBrown, B., A.1 aCampbell, C.M.1 aChester, A.1 aCook, J.M.1 aDinca, D.C.1 aGade, A.1 aGalaviz, D.1 aGlasmacher, T.1 aHjorth-Jensen}, M., {1 aHoroi, M.1 aMiller, D.1 aMoeller, V.1 aMueller, W., F.1 aSchiller, A.1 aStarosta, K.1 aStolz, A.1 aTerry, J.R.1 aVolya, A.1 aZelevinsky, V.1 aZwahlen, H. uhttp://journals.aps.org/prl/abstract/10.1103/PhysRevLett.99.16250101358nas a2200301 4500008004100000245003200041210003100073260001200104300001100116490000700127520059800134100002000732700002000752700001800772700002200790700001900812700001400831700002400845700001900869700002000888700001400908700001500922700001400937700001800951700001900969700001800988856005001006 2006 eng d00aHalf-life and spin of 60Mng0 aHalflife and spin of 60Mng c04/2006 a0443220 v733 aA value of 0.28±0.02 s has been deduced for the half-life of the ground state of {60Mn,} in sharp contrast to the previously adopted value of 51±6 s. Access to the low-spin {60Mn} ground state was accomplished via β decay of the 0+ {60Cr} parent nuclide. New low-energy states in {60Mn} have been identified from β-delayed γ-ray spectroscopy. The new, shorter half-life of {60Mng} is not suggestive of isospin-forbidden β decay, and new spin and parity assignments of 1+ and 4+ have been adopted for the ground and isomeric β-decaying states, respectively, of {60Mn.}

1 aLiddick, S., N.1 aMantica, P., F.1 aBrown, B., A.1 aCarpenter, M., P.1 aDavies, A., D.1 aHoroi, M.1 aJanssens, R., V. F.1 aMorton, A., C.1 aMueller, W., F.1 aPavan, J.1 aSchatz, H.1 aStolz, A.1 aTabor, S., L.1 aTomlin, B., E.1 aWiedeking, M. uhttps://icer.msu.edu/half-life-and-spin-60mng00743nas a2200277 4500008004100000245003200041210003100073260001200104490000700116100002000123700002000143700001800163700002200181700001900203700001400222700002400236700001900260700002000279700001400299700001500313700001400328700001800342700001900360700001800379856006800397 2006 eng d00aHalf-life and spin of 60Mng0 aHalflife and spin of 60Mng c04/20060 v731 aLiddick, S., N.1 aMantica, P., F.1 aBrown, B., A.1 aCarpenter, M., P.1 aDavies, A., D.1 aHoroi, M.1 aJanssens, R., V. F.1 aMorton, A., C.1 aMueller, W., F.1 aPavan, J.1 aSchatz, H.1 aStolz, A.1 aTabor, S., L.1 aTomlin, B., E.1 aWiedeking, M. uhttp://journals.aps.org/prc/abstract/10.1103/PhysRevC.73.04432201534nas a2200265 4500008004100000245007500041210006900116260001500185300001200200490000800212520073300220100001900953700002000972700001600992700001301008700001701021700001401038700002201052700001801074700001401092700001701106700001301123700001701136856011501153 2005 eng d00aComparison of Low-Order Multireference Many-Body Perturbation Theories0 aComparison of LowOrder Multireference ManyBody Perturbation Theo c04/01/2005 a9 pages0 v1223 aTests have been made to benchmark and assess the relative accuracies of low-order multireference perturbation theories as compared to coupled cluster (CC) and full configuration interaction (FCI) methods. Test calculations include the ground and some excited states of the Be, H(2), BeH(2), CH(2), and SiH(2) systems. Comparisons with FCI and CC calculations show that in most cases the effective valence shell Hamiltonian (H(v)) method is more accurate than other low-order multireference perturbation theories, although none of the perturbative methods is as accurate as the CC approximations. We also briefly discuss some of the basic differences among the multireference perturbation theories considered in this work.

1 aPiecuch, Piotr1 aChaudhuri, R.K.1 aFreed, K.F.1 aHose, G.1 aKowalski, K.1 aWloch, M.1 aChattopadhyay, S.1 aMukherjee, D.1 aRolik, R.1 aSzabados, A.1 aToth, G.1 aSurjan, P.R. uhttps://icer.msu.edu/research/publications/comparison-low-order-multireference-many-body-perturbation-theories01895nas a2200133 4500008004100000245012300041210006900164260001400233490000800247520134500255100001901600700001901619856012301638 2005 eng d00aA Comparison of Renormalized Coupled-Cluster and Multireference Methods with Full Configuration Interaction Benchmarks0 aComparison of Renormalized CoupledCluster and Multireference Met c3/22/20050 v1223 aUnusual bonding and electronic near degeneracies make the lowest-lying singlet states of the C2 molecule particularly challenging for electronic structure theory. Here we compare two alternative approaches to modeling bond-breaking reactions and excited states: sophisticated multireference configuration interaction and multireference perturbation theory methods, and a more "black box," single-reference approach, the completely renormalized coupled-cluster method. These approximate methods are assessed in light of their ability to reproduce the full configuration interaction potential energy curves for the X1Sigmag+, B1Deltag, and B' 1Sigmag+ states of C2, which are numerically exact solutions of the electronic Schrodinger equation within the space spanned by a 6-31G* basis set. Both the multireference methods and the completely renormalized coupled-cluster approach provide dramatic improvements over the standard single-reference methods. The multireference methods are nearly as reliable for this challenging test case as for simpler reactions which break only single bonds. The completely renormalized coupled-cluster approach has difficulty for large internuclear separations R in this case, but over the wide range of R=1.0-2.0 A, it compares favorably with the more complicated multireference methods.

1 aPiecuch, Piotr1 aSherrill, C.D. uhttps://icer.msu.edu/comparison-renormalized-coupled-cluster-and-multireference-methods-full-configuration-interaction