Structural and dynamical properties of liquid Ag74Ge26 alloy studied by experiments and ab initio molecular dynamics simulation
文献类型：期刊论文
| 作者 | Xiong, LH; Chen, K; Ke, FS; Lou, HB; Yue, GQ; Shen, B; Dong, F; Wang, SY; Chen, LY; Wang, CZ |
| 刊名 | ACTA MATERIALIA
 |
| 出版日期 | 2015 |
| 卷号 | 92页码:109—116 |
| 关键词 | METALLIC GLASSES ORDER TRANSITION WATER DENSITY SILVER |
| 英文摘要 | The structures and dynamics of liquid Ag74Ge26 alloy at different temperatures were investigated by high-energy X-ray diffraction and ab initio molecular dynamics simulation. The calculated structure factors agree well with the experimental data. Local atomic structure orders have been characterized by angular distribution functions, Honeycutt-Andersen index, Voronoi tessellation and the atomic cluster alignment. We reveal that (i) < 0,3,6,4,0 >, < 0,2,8,4,0 >, < 0,3,6,5,0 >, and < 1,3,4,5,1 > polyhedral dominate in the undercooled Ag74Ge26 liquid. (ii) The icosahedral-like short-range order is enhanced as the temperature decreases while < 0,3,6,4,0 >, < 0,2,8,4,0 >, < 0,3,6,5,0 >, and < 0,1,10,2,0 > polyhedral become the major short-range orders at low temperature. (iii) The medium-range order which was formed for amorphous phase at ambient temperature persists in the undercooled liquid. In addition, it is found that the diffusion constant of Ag is lower than that of Ge over the studied temperature range. Our findings elucidate that highly dominated short-range order associated with nearest-neighbors shell could empower the development of medium-range order and the formation of metallic glasses. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2015-12-24 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/24581]  |
| 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,Chen, K,Ke, FS,et al. Structural and dynamical properties of liquid Ag74Ge26 alloy studied by experiments and ab initio molecular dynamics simulation[J]. ACTA MATERIALIA,2015,92:109—116. |
| APA | Xiong, LH.,Chen, K.,Ke, FS.,Lou, HB.,Yue, GQ.,...&Jiang, JZ.(2015).Structural and dynamical properties of liquid Ag74Ge26 alloy studied by experiments and ab initio molecular dynamics simulation.ACTA MATERIALIA,92,109—116. |
| MLA | Xiong, LH,et al."Structural and dynamical properties of liquid Ag74Ge26 alloy studied by experiments and ab initio molecular dynamics simulation".ACTA MATERIALIA 92(2015):109—116. |
入库方式： OAI收割
来源：上海应用物理研究所
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