A molecular dynamics study on the size effects of Fe3O4 nanoparticles on the mechanical characteristics of polypyrrole/Fe3O4 nanocomposite

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-03-19 DOI:10.1080/08927022.2024.2323200

Hadi Kabir, Mohammad Mohammadi Aghdam, Saeed Saber Samandari, Mohsen Moeini

引用次数: 0

Abstract

Nanoparticle size effects on elastic properties of polymeric bio-nanocomposites were studied using atomistic molecular dynamics (MD) simulations. Spherical magnetite nanoparticles (MNPs) were place...

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关于 Fe3O4 纳米粒子尺寸对聚吡咯/Fe3O4 纳米复合材料机械特性影响的分子动力学研究

利用原子分子动力学（MD）模拟研究了纳米粒子尺寸对聚合物生物纳米复合材料弹性特性的影响。将球形磁铁矿纳米颗粒（MNPs）放置在...

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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.