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Updated: Sep 17, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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一个高效的多尺度模拟框架,集成动态异质性,用于准确的洪水预测.

Li Wu1,2, Junqiang Wang3, Deli Jia4

  • 1School of Energy, China University of Geosciences (Beijing), Beijing, 10083, China. wuli_edu@163.com.

Scientific reports
|July 2, 2025
PubMed
概括

本研究引入了一种新型的多尺度模拟方法,用于准确地模拟洪水期间的动态水库异质性. 该方法通过捕捉相反的透性效应,显著改善了高水切割阶段的石油回收.

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