Structure of liquid metals by ab initio molecular-dynamics simulations
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Abstract
How the study of liquid metals has progressed in the past three decades is summarized briefly from a personal point of view. It is emphasized that, by ab initio molecular-dynamics ( MD) simulations, we can now obtain the electronic states as well as the structure of liquid metals at the same time and therefore we can understand the characteristic features of the microscopic atomic structure and bonding states in real space. As examples we show the results of our ab initio MD simulations for liquid phosphorus, liquid tellurium and liquid carbon at high pressures.
Journal
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- Journal of Physics: Condensed Matter
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Journal of Physics: Condensed Matter 21 (47), 2009-11-05
IOP Publishing LTD
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Details 詳細情報について
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- CRID
- 1050859215939633536
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- NII Article ID
- 120001898383
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- NII Book ID
- AA10672168
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- Text Lang
- en
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- Article Type
- journal article
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- Data Source
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- IRDB
- CiNii Articles