液态金属:早期贡献和一些最新进展
Liquid metals: early contributions and some recent developments
摘要:
我们在这方面的贡献说明了在过去几十年中取得的进展,从液体镓的例子和早期的工作在让-皮埃尔·巴迪亚利的小组在理论研究的液体金属。这是基于微扰理论与赝势的电子和离子的液态理论的组合。结合从头算和经典的分子动力学模拟的最新发展的玻璃形成合金的例子,最后说明。
英文摘要:
We illustrate in this contribution the progress in the theoretical study of liquid metals made in the last decades, starting from the example of liquid gallium and the early work in Jean-Pierre Badiali's group. This was based on the combination of the perturbation theory with pseudo-potentials for the electrons and the liquid state theory for the ions. More recent developments combining ab initio and classical molecular dynamics simulations are finally illustrated on the example of glass forming alloys.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。