聚二甲基硅氧烷
硅氧烷
分子动力学
共聚物
材料科学
动力学(音乐)
化学工程
高分子化学
纳米技术
化学
复合材料
计算化学
聚合物
物理
声学
工程类
作者
Weikang Xian,Amitesh Maiti,Andrew P. Saab,Ying Li
出处
期刊:Soft Matter
[Royal Society of Chemistry]
日期:2024-01-01
卷期号:20 (42): 8480-8492
被引量:4
摘要
-diphenyl)siloxane system with bonded and non-bonded interactions determined from all-atomistic simulations by the iterative Boltzmann inversion (IBI) method. Additionally, we propose a lever rule that can be useful to generate non-bonded potentials for such systems without reference to the all-atomistic ground truth. Our model captures the structural and dynamic properties of the copolymer material with quantitative accuracy and is useful to study long-time dynamics of highly-entangled systems, sequence-dependent properties, phase behaviour,
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