A Molecular Dynamics Simulation for Thermal Activation Process in Covalent Bond Dissociation of a Crosslinked Thermosetting Polymer

A novel algorithm for covalent bond dissociation is developed to accurately predict fracture behavior of thermosetting polymers via molecular dynamics simulation. This algorithm is based on the Monte Carlo method that considers the difference in local strain and bond-dissociation energies to reprodu...

وصف كامل

التفاصيل البيبلوغرافية
الحاوية / القاعدة:Molecules
المؤلفون الرئيسيون: Naoki Yamada, Yutaka Oya, Nobuhiko Kato, Kazuki Mori, Jun Koyanagi
التنسيق: مقال
اللغة:الإنجليزية
منشور في: MDPI AG 2023-03-01
الموضوعات:
molecular dynamics
thermosetting resin
mechanical properties
Monte–Carlo method
الوصول للمادة أونلاين:https://www.mdpi.com/1420-3049/28/6/2736

الانترنت

https://www.mdpi.com/1420-3049/28/6/2736

مواد مشابهة