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Updated: Jul 5, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
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Published on: June 7, 2018

一种开发力场的方法,用于分子模拟在能量和结构上有微妙差异的相之间的马石阶段过渡

Sigrid C Tuble1, Jamshed Anwar, Julian D Gale

  • 1Computational Pharmaceutical Sciences Laboratory, Department of Pharmacy, King's College London, Franklin-Wilkins Building, 150 Stamford Street, London SE1 9NN, UK.

Journal of the American Chemical Society
|January 8, 2004
PubMed
概括

为d,l-norleucine等分子晶体开发精确的力场对于理解位移相变化至关重要. 本研究提出了一种创建这种力场的方法,成功模拟了晶相过渡.

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