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Updated: Jun 3, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

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模拟原子对WO3表面的影响通过分子动力学模拟

Shokirbek Shermukhamedov1,2, Thana Maihom3, Michael Probst1,4

  • 1Institute of Ion Physics and Applied Physics, University of Innsbruck, Technikerstraße 25, 6020 Innsbruck, Austria.

Molecules (Basel, Switzerland)
|January 8, 2025
PubMed
概括

机器学习潜力模拟了粒子撞击下的三氧化物 (WO3) 表面行为. 这项研究显示,氧气喷产量随着阿贡能量的增加而增加,而喷仍然很低,为材料降解提供了见解.

关键词:
贝勒帕里内洛的方法融合研究 融合研究研究机器学习潜在的能量功能机器学习的功能.分子动力学分子动力学表面喷雾是指表面喷雾.氧化的氧化.

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