Predicting from first principles the chemical evolution of crystalline compounds due to radioactive decay: The case of the transformation of CsCl to BaCl

著录项

• 来源
  《Physical review》 |2009年第13期|37-40|共4页
• 作者

  C. Jiang; C. R. Stanek; N. A. Marks; K. E. Sickafus; B. P. Uberuaga;

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• 作者单位

  Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA;

  Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA;

  Nanochemistry Research Institute, Curtin University of Technology, P.O. Box U1987, Perth, Western Australia 6845, Australia;

  Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA;

  Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA;

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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

  inorganic compounds; radioactive wastes; waste disposal; density functional theory; local density approximation; gradient and other corrections;

  机译：无机化合物放射性废物;废物处理;密度泛函理论;局部密度近似;渐变和其他校正;