二维纳米片增强聚合物纳米复合材料力学性能的分子动力学研究

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-08-05 DOI:10.1080/08927022.2024.2383723

Y. Keramati, R. Ansari, S. Haghighi, M. Eghbalian

引用次数: 0

摘要

分子动力学（MD）模拟确定了二维（2D）纳米片对纳米片增强聚乳酸（P...

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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A molecular dynamics study on mechanical properties of polymer nanocomposites reinforced by two-dimensional nanosheets

Molecular dynamics (MD) simulations have been performed to determine the reinforcing role of two-dimensional (2D) nanosheets on Young’s and shear moduli of nanosheet-strengthened polylactic acid (P...

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来源期刊

Molecular Simulation 化学-物理：原子、分子和化学物理

CiteScore

3.80

自引率

9.50%

发文量

128

审稿时长

3.1 months

期刊介绍： Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.