Evolution of atomic structure in Al75Cu25 liquid from experimental and ab initio molecular dynamics simulation studies

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	Evolution of atomic structure in Al75Cu25 liquid from experimental and ab initio molecular dynamics simulation studies
	Xiong, LH; Yoo, H; Lou, HB; Wang, XD; Cao, QP; Zhang, DX; Jiang, JZ; Xie, HL; Xiao, TQ; Jeon, S
刊名	JOURNAL OF PHYSICS-CONDENSED MATTER
	2015
卷号	27 期号:3 页码:—
关键词	INTERFACIAL FREE-ENERGY PHASE-TRANSITION METALLIC-GLASS DENSITY PRESSURE SILICON
英文摘要	X-ray diffraction and electrostatic levitation measurements, together with the ab initio molecular dynamics simulation of liquid Al75Cu25 alloy have been performed from 800 to 1600 K. Experimental and ab initio molecular dynamics simulation results match well with each other. No abnormal changes were experimentally detected in the specific heat capacity over total hemispheric emissivity and density curves in the studied temperature range for a bulk liquid Al75Cu25 alloy measured by the electrostatic levitation technique. The structure factors gained by the ab initio molecular dynamics simulation precisely coincide with the experimental data. The atomic structure analyzed by the Honeycutt-Andersen index and Voronoi tessellation methods shows that icosahedral-like atomic clusters prevail in the liquid Al75Cu25 alloy and the atomic clusters evolve continuously. All results obtained here suggest that no liquid-liquid transition appears in the bulk liquid Al75Cu25 alloy in the studied temperature range.
收录类别	SCI
语种	英语
公开日期	2015-12-24
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/24456]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 GB/T 7714	Xiong, LH,Yoo, H,Lou, HB,et al. Evolution of atomic structure in Al75Cu25 liquid from experimental and ab initio molecular dynamics simulation studies[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2015,27(3):—.
APA	Xiong, LH.,Yoo, H.,Lou, HB.,Wang, XD.,Cao, QP.,...&Lee, GW.(2015).Evolution of atomic structure in Al75Cu25 liquid from experimental and ab initio molecular dynamics simulation studies.JOURNAL OF PHYSICS-CONDENSED MATTER,27(3),—.
MLA	Xiong, LH,et al."Evolution of atomic structure in Al75Cu25 liquid from experimental and ab initio molecular dynamics simulation studies".JOURNAL OF PHYSICS-CONDENSED MATTER 27.3(2015):—.