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Updated: Jul 12, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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分子动力学模拟的界面结构和碳酸改性Al2O3和聚合物化物之间的亲和力

Takamasa Saito1, Masaki Kubo1, Takao Tsukada2

  • 1Department of Chemical Engineering, Tohoku University, 6-6-07 Aramaki, Aoba-ku, Sendai, Miyagi 980-8579, Japan.

The Journal of chemical physics
|October 27, 2023
PubMed
概括

纳米颗粒的表面修饰改善了聚合物纳米复合材料的性能. 分子动力学模拟显示,优化表面覆盖和修饰剂选择可增强纳米粒子-聚合物界面亲和力,这对于材料设计至关重要.

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