Elastic constants and thermodynamic properties of Mg-Pr, Mg-Dy, Mg-Y intermetallics with atomistic simulations
文献类型：期刊论文
| 作者 | Wu, Yurong1; Hu, Wangyu1; Sun, Lixian2 |
| 刊名 | journal of physics d-applied physics
 |
| 出版日期 | 2007-12-07 |
| 卷号 | 40期号:23页码:7584-7592 |
| 英文摘要 | the temperature dependence of elastic constants and thermodynamic properties of light rare earth ( re) mg-pr, heavy re mg-dy and mg-y intermetallics are studied using the modified analytic embedded atom method. the present calculations are generally in agreement with the experimental data and other theoretical results. the bulk moduli of mg-pr alloys are smaller than that of mg-dy and mg-y alloys, which explains why the mechanical properties of mg-based alloys can be further improved by the addition of heavy re metals experimentally. furthermore, heat capacity, vibrational free energy and vibrational entropy of mg-pr, mg-dy and mg-y alloys are calculated in the harmonic approximation, using the vibrational density of states (vdos) obtained from born-von karman theory. the partial vdos indicates that the vdos originates from re atoms at low frequency and from mg atoms at high frequency and the contribution of re atoms is dominant in frequency since they are heavier than mg atoms. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, applied |
| 研究领域[WOS] | physics |
| 关键词[WOS] | rare-earth alloys ; resistant magnesium alloys ; molecular-dynamics ; system ; chemistry ; energy ; gd |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000251797900062 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/140535]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Hunan Univ, Dept Appl Phys, Changsha 410082, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, Mat Thermochem Lab, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wu, Yurong,Hu, Wangyu,Sun, Lixian. Elastic constants and thermodynamic properties of Mg-Pr, Mg-Dy, Mg-Y intermetallics with atomistic simulations[J]. journal of physics d-applied physics,2007,40(23):7584-7592. |
| APA | Wu, Yurong,Hu, Wangyu,&Sun, Lixian.(2007).Elastic constants and thermodynamic properties of Mg-Pr, Mg-Dy, Mg-Y intermetallics with atomistic simulations.journal of physics d-applied physics,40(23),7584-7592. |
| MLA | Wu, Yurong,et al."Elastic constants and thermodynamic properties of Mg-Pr, Mg-Dy, Mg-Y intermetallics with atomistic simulations".journal of physics d-applied physics 40.23(2007):7584-7592. |
入库方式： OAI收割
来源：大连化学物理研究所
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