摘要
<正>高温高压下的矿物弹性性质对于认识地球内部组成和动力学特征等信息有着重要的意义。第一性原理可以在不引入任何经验参数的情况下计算矿物在高温高压下的弹性常数、波速等参数,其计算结果可以与高温高压的实验结果相比拟。随着计算机计算能力的提升,这种方法被越来越广泛地应用。但是考虑温度效应的传统弹性计算方法仍然需要大量的计算资源,成为我们用计算方法获得高温高压弹性的一个主要制约因素。为此,Wu and Wentzcovitch(2011)提出了一个计算弹性的新方法,在
引文
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