Guest Editors
Dr. Yijing Nie
Email: nieyijing@ujs.edu.cn
Affiliation: School of Materials Science and Engineering, Jiangsu University, Zhenjiang, 212000, China
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Research Interests: Molecular simulation of polymer glass transition and crystallization; preparation of high-performance rubber nanocomposites; relationship between rubber micro-network structure and properties
Summary
In the field of polymer materials, molecular simulation methods have become an effective method for studying the corresponding physical/chemical microscopic mechanisms of polymer materials, as well as constructing quantitative relationships between material microstructure and macroscopic properties. The results of molecular simulations can not only provide theoretical explanations for related experimental phenomena, but also predict related phenomena or performance, thereby guiding experimental design. In this special issue, we welcome the work of molecular simulation methods to study phenomena and mechanisms of polymer materials, including but not limited to polymer crystallization, polymer glass transition, polymer self-assembly, dynamic polymers, polymer viscoelasticity, etc.
The following subtopics are the particular interests of this special issue, including but not limited to:
• Molecular simulations of polymer crystallization;
• Molecular simulations of polymer glass transition;
• Molecular simulations of polymer self-assembly;
• Molecular simulations of self-healing of polymers;
• Molecular simulations of dynamic polymers;
• Molecular simulations of polymer viscoelasticity;
• Molecular simulations of relationship between structures and properties of polymers;
• Molecular simulations of polyelectrolyte;
• Molecular simulations of polymers combined with machine learning methods;
• Theoretical calculation and simulations of polymer phase separation.
Keywords
Molecular simulations, Molecular dynamics simulations, Monte Carlo simulations, Polymer materials
Published Papers
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