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Updated: Sep 9, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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軟球結晶溶融界面に関する定量理論と原子模擬研究. II について インターフェイス自由エネルギー

Ya-Shen Wang1, Zun Liang1, Brian B Laird2

  • 1State Key Laboratory of Precision Spectroscopy, School of Physics and Electronic Science, East China Normal University, Shanghai 200241, China.

The Journal of chemical physics
|September 2, 2025
PubMed
まとめ

この研究では,結晶の融解界面自由エネルギー (γ) を予測するための新しいギンツブルク・ランダウ (GL) モデル法が導入されています. このアプローチは,BCCとFCCの相に対するシミュレーションによって検証されたgとアニソトロピーを正確に予測します.

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