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Updated: Jul 26, 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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用粗粒度分子动力学模拟聚合物热解的中尺度模拟:一个参数研究

Vinh Phu Nguyen1, Inseok Jeon2, Seunghwa Yang2

  • 1Functional Materials and Applied Mechanics Lab, School of Mechanical Engineering, Chung-Ang University, 84 Heukseok-Ro, Dongjak-Gu, Seoul 06974, Republic of Korea.

ACS applied materials & interfaces
|June 12, 2023
PubMed
概括

这项研究介绍了聚合物热解的中等尺度模拟,桥梁原子和连续模型. 它增强了对先进热保护系统材料的热降解的理解.

关键词:
有氧超热热解氧化解.无氧热溶解是一种无氧热溶解.债券分离 债券分离粗粒度分子动力学的粗粒度分子动力学聚合物质的热解.表面衰退的表面衰退

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