压力和温度对固氘掺锂体系的影响

马琰铭; 崔田; 何文炯; 周强; 刘志明; 邹广田

doi:10.11858/gywlxb.2003.02.002

压力和温度对固氘掺锂体系的影响

doi: 10.11858/gywlxb.2003.02.002

吉林大学超硬材料国家重点实验室，吉林长春 130023

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通讯作者:
马琰铭

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出版历程
- 收稿日期: 2002-06-16
- 修回日期: 2002-09-28
- 发布日期: 2003-06-05

Pressure and Temperature Effects on the System of Lithium Doped in Solid D2

National Laboratory of Superhard Materials, Jilin University, ChangChun 130023, China

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Corresponding author: MA Yan-Ming

摘要

摘要: 利用路径积分蒙特卡罗方法，研究了压力和温度变化对固氘掺锂体系的影响。结果表明，在高压条件下（0.9~2.4 GPa），锂原子掺入固体氘后，要占据五个氘分子空位形成稳定结构。温度变化不能改变这一五空位占据。固氘掺锂体系锂原子吸收谱随压力和温度的变化趋势类似于固氢掺锂体系锂原子吸收谱随压力和温度变化的趋势。但在某一固定压力和温度点，这两种吸收谱却由于氘分子和氢分子零点振动的不同有着明显的差异。随着温度或压力的增加，这两种吸收谱间的差异越来越小。
- 路径积分蒙特卡罗 /
- 锂原子吸收谱 /
- 压力 /
- 温度
Abstract: We employ quantum path-integral Monte Carlo method to investigate the pressure and temperature effects on the system of Li in solid D2. Our results show that under high pressure (0.9~2.4 GPa), when the lithium atom doped into solid D2, it will occupy five-vacancy trapping site. Application of temperature can not change this fact. Pressure and temperature effects on the Li atomic absorption spectrum of Li in solid D2 are similar to the results of Li in solid H2. However, at a given pressure and temperature point, the difference between the two kinds of absorption spectrum is significant. With the increase of pressure or temperature, the difference between the two kinds of absorption spectrum is getting less visible.
- path-integral Monte Carlo /
- Li absorption spectrum /
- pressure /
- temperature

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参考文献(20)

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