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dc.contributor.author | Mokshin A.V. | |
dc.contributor.author | Khusnutdinoff R.M. | |
dc.contributor.author | Galimzyanov B.N. | |
dc.contributor.author | Brazhkin V.V. | |
dc.date.accessioned | 2021-02-25T20:43:11Z | |
dc.date.available | 2021-02-25T20:43:11Z | |
dc.date.issued | 2020 | |
dc.identifier.issn | 1463-9076 | |
dc.identifier.uri | https://dspace.kpfu.ru/xmlui/handle/net/162306 | |
dc.description.abstract | This journal is © the Owner Societies. Polyvalent metal melts (gallium, tin, bismuth, etc.) have microscopic structural features, which are detected by neutron and X-ray diffraction and which are absent in simple liquids. Based on neutron and X-ray diffraction data and the results of ab initio molecular dynamics simulations for liquid gallium, we examine the structure of this liquid metal at the atomistic level. Time-resolved cluster analysis allows one to reveal that the short-range structural order in liquid gallium is determined by a range of the correlation lengths. This analysis, performed on a set of independent samples corresponding to equilibrium liquid phase, discloses that there are no stable crystalline domains and molecule-like Ga2 dimers typical for crystal phases of gallium. The structure of liquid gallium can be reproduced by the simplified model of the close-packed system of soft quasi-spheres. The results can be applied to analyze the fine structure of other polyvalent liquid metals. | |
dc.relation.ispartofseries | Physical Chemistry Chemical Physics | |
dc.title | Extended short-range order determines the overall structure of liquid gallium | |
dc.type | Article | |
dc.relation.ispartofseries-issue | 7 | |
dc.relation.ispartofseries-volume | 22 | |
dc.collection | Публикации сотрудников КФУ | |
dc.relation.startpage | 4122 | |
dc.source.id | SCOPUS14639076-2020-22-7-SID85080841953 |