000838914 001__ 838914
000838914 005__ 20230426083153.0
000838914 0247_ $$2doi$$a10.1103/PhysRevB.96.184102
000838914 0247_ $$2ISSN$$a0163-1829
000838914 0247_ $$2ISSN$$a0556-2805
000838914 0247_ $$2ISSN$$a1094-1622
000838914 0247_ $$2ISSN$$a1095-3795
000838914 0247_ $$2ISSN$$a1098-0121
000838914 0247_ $$2ISSN$$a1550-235X
000838914 0247_ $$2ISSN$$a2469-9950
000838914 0247_ $$2ISSN$$a2469-9969
000838914 0247_ $$2Handle$$a2128/15833
000838914 0247_ $$2WOS$$aWOS:000414332600002
000838914 037__ $$aFZJ-2017-07420
000838914 082__ $$a530
000838914 1001_ $$0P:(DE-HGF)0$$aRopo, M.$$b0$$eCorresponding author
000838914 245__ $$aCrystallization of supercooled liquid antimony: A density functional study
000838914 260__ $$aWoodbury, NY$$bInst.$$c2017
000838914 3367_ $$2DRIVER$$aarticle
000838914 3367_ $$2DataCite$$aOutput Types/Journal article
000838914 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1653033246_16250
000838914 3367_ $$2BibTeX$$aARTICLE
000838914 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000838914 3367_ $$00$$2EndNote$$aJournal Article
000838914 520__ $$aCrystallization of liquid antimony has been studied at 600 K using six density functional/molecular dynamics simulations with up to 882 atoms and three scenarios: one completely disordered sample that did not crystallize even after 570 ps, four with fixed crystalline slab templates, and one with a fixed crystalline seed. Crystallization proceeded layer-by-layer in most cases and was rapid (∼36 m/s) with templates and somewhat slower with the seed. The seed simulation shows an unusual percolation asymmetry where the crystallite grows faster in the direction normal to the zigzag planes. Changes in pair distribution functions, bond angle distributions, ring statistics, nearest-neighbor distances, and cavity volumes were monitored. Diffusion plays a minor role in the process, and the evolution of bond lengths and ring statistics supports the bond-interchange model introduced to explain the rapid crystallization of Sb-rich phase change materials.
000838914 536__ $$0G:(DE-HGF)POF3-142$$a142 - Controlling Spin-Based Phenomena (POF3-142)$$cPOF3-142$$fPOF III$$x0
000838914 536__ $$0G:(DE-HGF)POF3-143$$a143 - Controlling Configuration-Based Phenomena (POF3-143)$$cPOF3-143$$fPOF III$$x1
000838914 536__ $$0G:(DE-Juel1)jiff05_20170501$$aDensity functional calculations with molecular dynamics -- amorphous and crystalline materials (jiff05_20170501)$$cjiff05_20170501$$fDensity functional calculations with molecular dynamics -- amorphous and crystalline materials$$x2
000838914 536__ $$0G:(DE-Juel1)jiff37_20121101$$aDensity functional simulations of phases of elements (jiff37_20121101)$$cjiff37_20121101$$fDensity functional simulations of phases of elements$$x3
000838914 542__ $$2Crossref$$i2017-11-03$$uhttps://link.aps.org/licenses/aps-default-license
000838914 588__ $$aDataset connected to CrossRef
000838914 7001_ $$0P:(DE-Juel1)130496$$aAkola, J.$$b1
000838914 7001_ $$0P:(DE-Juel1)130741$$aJones, R. O.$$b2$$ufzj
000838914 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.96.184102$$bAmerican Physical Society (APS)$$d2017-11-03$$n18$$p184102$$tPhysical Review B$$v96$$x2469-9950$$y2017
000838914 773__ $$0PERI:(DE-600)2844160-6$$a10.1103/PhysRevB.96.184102$$gVol. 96, no. 18, p. 184102$$n18$$p184102$$tPhysical review / B$$v96$$x2469-9950$$y2017
000838914 8564_ $$uhttps://juser.fz-juelich.de/record/838914/files/PhysRevB.96.184102.pdf$$yOpenAccess
000838914 8564_ $$uhttps://juser.fz-juelich.de/record/838914/files/PhysRevB.96.184102.gif?subformat=icon$$xicon$$yOpenAccess
000838914 8564_ $$uhttps://juser.fz-juelich.de/record/838914/files/PhysRevB.96.184102.jpg?subformat=icon-1440$$xicon-1440$$yOpenAccess
000838914 8564_ $$uhttps://juser.fz-juelich.de/record/838914/files/PhysRevB.96.184102.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000838914 8564_ $$uhttps://juser.fz-juelich.de/record/838914/files/PhysRevB.96.184102.jpg?subformat=icon-640$$xicon-640$$yOpenAccess
000838914 8564_ $$uhttps://juser.fz-juelich.de/record/838914/files/PhysRevB.96.184102.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000838914 909CO $$ooai:juser.fz-juelich.de:838914$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000838914 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130741$$aForschungszentrum Jülich$$b2$$kFZJ
000838914 9131_ $$0G:(DE-HGF)POF3-142$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bEnergie$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Spin-Based Phenomena$$x0
000838914 9131_ $$0G:(DE-HGF)POF3-143$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bEnergie$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Configuration-Based Phenomena$$x1
000838914 9141_ $$y2017
000838914 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000838914 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search
000838914 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Agreement
000838914 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bPHYS REV B : 2015
000838914 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000838914 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000838914 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000838914 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5
000838914 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000838914 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC
000838914 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences
000838914 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000838914 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List
000838914 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$kIAS-1$$lQuanten-Theorie der Materialien$$x0
000838914 9201_ $$0I:(DE-Juel1)PGI-1-20110106$$kPGI-1$$lQuanten-Theorie der Materialien$$x1
000838914 9201_ $$0I:(DE-82)080009_20140620$$kJARA-FIT$$lJARA-FIT$$x2
000838914 9201_ $$0I:(DE-82)080012_20140620$$kJARA-HPC$$lJARA - HPC$$x3
000838914 980__ $$ajournal
000838914 980__ $$aVDB
000838914 980__ $$aI:(DE-Juel1)IAS-1-20090406
000838914 980__ $$aI:(DE-Juel1)PGI-1-20110106
000838914 980__ $$aI:(DE-82)080009_20140620
000838914 980__ $$aI:(DE-82)080012_20140620
000838914 980__ $$aUNRESTRICTED
000838914 9801_ $$aFullTexts
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/zaac.19120780114
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0038-1098(74)90510-9
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0040-6090(84)90445-0
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1007/BF01329812
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/pssa.2210310118
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/pssb.201200393
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nmat2931
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.90.184109
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/adfm.201301242
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/pssa.200982664
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0040-6090(84)90118-4
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0040-6090(82)90401-1
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0040-6090(76)90122-X
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1143/JJAP.19.21
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.4983219
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.85.134103
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.4965429
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/RevModPhys.87.897
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.43.1993
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.100.136406
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.447334
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevA.31.1695
000838914 999C5 $$1M. J. Assael$$2Crossref$$oM. J. Assael 2012$$y2012
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.94.134105
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.86.144113
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/acs.cgd.5b01151
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/ncomms3371
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1107/S0021889809051929
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0022-3093(90)90686-G
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/jcc.24697
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/srep06529
000838914 999C5 $$1D. J. Adelerhof$$2Crossref$$oD. J. Adelerhof Media development for DVD+RW phase change recording 2004$$tMedia development for DVD+RW phase change recording$$y2004
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1039/C6DT00298F
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nmat3275
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/adfm.201500849
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/nl500940z
000838914 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/ncomms5314