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| MgO高温高压下的P-V-T关系 | |
| 引用本文： | 刘玉孝,吴万琴,宋婷,刘晓斌. MgO高温高压下的P-V-T关系[J]. 四川大学学报(自然科学版), 2008, 45(4): 899-903 |
| 作者姓名： | 刘玉孝 吴万琴 宋婷 刘晓斌 |
| 作者单位： | 1. 西南石油大学理学院,南充,637001 2. 甘肃联合大学数理学院,兰州,730000 3. 西北师范大学物理与电子工程学院,兰州,730070 4. 天水师范学院理学院,天水,741001 |
| 摘 要： | 本文利用分子动力学方法和有效经验对势模型对MgO高温高压下的物态方程进行了研究,发现分子动力学方法得到的MgO岩盐结构的摩尔体积(温度范围:300-2000 K,压力范围:0～100 GPa)和实验结果吻合;另外,基于势模型的可靠性预测了300-2000K和0～100 GPa的温压范围内MgO岩盐结构的P-V-T关系,并对两种势模型计算结果进行了比较研究.计算得到的高温高压下MgO物态方程在地球物理学具有重要的参考价值. |
| 关 键 词： | 物态方程 氧化锾 分子动力学模拟 |
The pressure-volume-temperature relationship of periclase at high temperature and high pressure |
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| LIU Yu-Xiao,WU Wan-Qin,SONG Ting and LIU Xiao-Bin. The pressure-volume-temperature relationship of periclase at high temperature and high pressure[J]. Journal of Sichuan University (Natural Science Edition), 2008, 45(4): 899-903 | |
| Authors: | LIU Yu-Xiao WU Wan-Qin SONG Ting LIU Xiao-Bin |
| Affiliation: | College of Science of Southwest Petroleum University;College of Mathematics Physics and Information Science, Gansu Lianhe University;College of Physics and Electronic Science, Northwest Normal University;College of Mathematics Physics and Information Science, Tianshui Normal University |
| Abstract: | The pressure-volume-temperature(P-V-T) relationship of MgO has been calculated for conditions of high pressure (0～100 GPa) and high temperature (300～2000 K) using molecular dynamics simulations with the very similar potential models of Stoneham-Sangster and Lewis-Catlow.The results obtained have been discussed and compared with the corresponding values reported in the recent literature.Our simulated structural and thermodynamic data at normal condition is well accorded with the existing experimental data and theoretical results.This is a good verification for a reliable performance of the potential model used in all simulations. |
| Keywords: | equation of state MgO molecular dynamics simulation |
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