CAS OpenIR  > 中科院上海应用物理研究所2011-2019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; Lee, GW
2015
Source PublicationJOURNAL OF PHYSICS-CONDENSED MATTER
Volume27Issue:3Pages:
Subtype期刊文献
AbstractX-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.
KeywordInterfacial Free-energy Phase-transition Metallic-glass Density Pressure Silicon
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/24456
Collection中科院上海应用物理研究所2011-2019年
Recommended Citation
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):—.
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