Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study
作者： L.H. Xiong , H.B. Lou , X.D. Wang , T.T. Debela , Q.P. Cao
DOI: 10.1016/J.ACTAMAT.2014.01.004
关键词: Coordination number 、 Molecular geometry 、 Materials science 、 Crystallography 、 Crystal 、 Chemical physics 、 Structure factor 、 Molecular dynamics 、 Phase (matter) 、 Amorphous metal 、 Ab initio
摘要: … It was found that the icosahedral-like clusters are negligible in the Al 2 Au stable liquid and … HA indices of 131 and 120 or Voronoi indices of <0, 4, 4, 0>, <0, 3, 6, 0> and <0, 4, 4, 2> with …
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