Superionicity in the hydrogen storage material Li_2NH: Molecular dynamics simulations

著录项

• 来源
  《Physical review》 |2009年第17期|172101.1-172101.4|共4页
• 作者

  C. Moyses Araujo; Andreas Blomqvist; Ralph H. Scheicher; Ping Chen; Rajeev Ahuja;

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• 作者单位

  Department of Physics and Materials Science, Condensed Matter Theory Group, Uppsala University, P.O. Box 530, SE-751 21 Uppsala, Sweden;

  Department of Physics and Materials Science, Condensed Matter Theory Group, Uppsala University, P.O. Box 530, SE-751 21 Uppsala, Sweden;

  Department of Physics and Materials Science, Condensed Matter Theory Group, Uppsala University, P.O. Box 530, SE-751 21 Uppsala, Sweden;

  Department of Physics and Department of Chemistry, National University of Singapore, 117542 Singapore, Singapore Dalian Institute of Chemical Physics, Dalian 116023, People's Republic of China;

  Department of Physics and Materials Science, Condensed Matter Theory Group, Uppsala University, P.O. Box 530, SE-751 21 Uppsala, Sweden Department of Materials and Engineering, Applied Materials Physics, Royal Institute of Technology (KTH), SE-100 44 Stockholm, Sweden;

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• 收录信息
• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  theory and models of liquid structure; computer simulation of liquid structure; molecular dynamics calculations (car-parrinello) and other numerical simulations; density functional theory, local density approximation, gradient and other corrections;

  机译：液体结构的理论和模型;液体结构的计算机模拟;分子动力学计算（car-parrinello）和其他数值模拟;密度泛函理论;局部密度近似;梯度和其他校正;