Evolution of atomic structure in Al75Cu25 liquid from experimental and ab initio molecular dynamics simulation studies
文献类型：期刊论文
| 作者 | 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
 |
| 出版日期 | 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 |
| 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):—. |
入库方式： OAI收割
来源：上海应用物理研究所
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