Molecular dynamics study of the melting curve of NiTi alloy under pressure
文献类型:期刊论文
作者 | Z. Y. Zeng ; C. E. Hu ; L. C. Cai ; X. R. Chen ; F. Q. Jing |
刊名 | Journal of Applied Physics
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出版日期 | 2011 |
卷号 | 109期号:4 |
关键词 | elastic-constants 1st principles earths core behavior mo multilayers diffraction transition tantalum metals |
ISSN号 | 0021-8979 |
中文摘要 | The melting curve of NiTi alloy was predicted by using molecular dynamics simulations combining with the embedded atom model potential. The calculated thermal equation of state consists well with our previous results obtained from quasiharmonic Debye approximation. Fitting the well-known Simon form to our T(m) data yields the melting curves for NiTi: 1850(1+P/21.938)(0.328) (for one-phase method) and 1575(1+P/7.476)(0.305) (for two-phase method). The two-phase simulations can effectively eliminate the superheating in one-phase simulations. At 1 bar, the melting temperature of NiTi is 1575 +/- 25 K and the corresponding melting slope is 64 K/GPa. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3548936] |
原文出处 | |
公开日期 | 2012-04-13 |
源URL | [http://210.72.142.130/handle/321006/30863] ![]() |
专题 | 金属研究所_中国科学院金属研究所 |
推荐引用方式 GB/T 7714 | Z. Y. Zeng,C. E. Hu,L. C. Cai,et al. Molecular dynamics study of the melting curve of NiTi alloy under pressure[J]. Journal of Applied Physics,2011,109(4). |
APA | Z. Y. Zeng,C. E. Hu,L. C. Cai,X. R. Chen,&F. Q. Jing.(2011).Molecular dynamics study of the melting curve of NiTi alloy under pressure.Journal of Applied Physics,109(4). |
MLA | Z. Y. Zeng,et al."Molecular dynamics study of the melting curve of NiTi alloy under pressure".Journal of Applied Physics 109.4(2011). |
入库方式: OAI收割
来源:金属研究所
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