| 深过冷液态Ni2TiAl合金热物理性质的分子动力学模拟 |
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| 引用本文： | 杨 弘,陈 民. 深过冷液态Ni2TiAl合金热物理性质的分子动力学模拟[J]. 物理学报, 2006, 55(5): 2418-2421 |
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| 作者姓名： | 杨 弘 陈 民 |
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| 作者单位： | 清华大学工程力学系，北京 100084 |
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| 基金项目： | 国家自然科学基金重大项目(批准号：50395101)资助的课题. |
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| 摘 要： | 采用嵌入原子法对深过冷条件下Ni2TiAl合金的焓和密度进行了分子动力学模拟，模拟获得了比热和密度在1200K至2000K范围内的温度依赖关系. 结果表明过冷条件下Ni2TiAl合金的比热、密度和温度之间存在着线性关系，它们都随着温度的降低而降低. 比热的大小与依据Neumann-Kopp法则估算的结果相近，同时模拟过程中的尺度效应经验证可以忽略. 关键词：2TiAl合金')" href="#">Ni2TiAl合金比热密度分子动力学模拟
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| 关 键 词： | Ni2TiAl合金 比热 密度 分子动力学模拟 |
| 文章编号： | 1000-3290/2006/55（05）2418-04 |
| 收稿时间： | 2005-09-29 |
| 修稿时间： | 2005-09-292005-11-11 |
A molecular dynamics simulation of thermodynamic properties of undercooled liquid Ni2TiAl alloy |
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| Yang Hong and Chen Min. A molecular dynamics simulation of thermodynamic properties of undercooled liquid Ni2TiAl alloy[J]. Acta Physica Sinica, 2006, 55(5): 2418-2421 |
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| Authors: | Yang Hong and Chen Min |
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| Affiliation: | Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China |
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| Abstract: | Base on the embedded-atom method, the enthalpy and the density of Ni2TiAl alloy are calculated by using molecular dynamics simulations. The temperature dependence of the specific heat of normal and undercooled liquid Ni2TiAl alloy is obtained. The results indicate that the specific heat and the density increase linearly with the decrease of temperature, and the Neumann-Kopp rule can be applied to estimate the specific heat of undercooled liquid Ni2 TiAl alloy. Meanwhile, the size effect in the simulation domain is indicated to be negligible. |
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| Keywords: | Ni2 TiAl alloy specific heat density molecular dynamics simulation |
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