私密直播全婐app免费大渔直播,国产av成人无码免费视频,男女同房做爰全过程高潮,国产精品自产拍在线观看

當前位置:群英聚首 > 論文著作 > 正文
Molecular Dynamics Simulation for Thiolated Poly(ethylene glycol) at Low-Temperature Based on the Density Functional Tight-Binding Method
來源:李詩講師個人網站 發布日期:2023-12-20
作者:Shi Li, Lei Chen, Xuefeng Gui, Daguang He, Jiwen Hu*, Zhenzhu Huang, Shudong Lin, Yuanyuan Tu, Yongl
關鍵字:crystal growth, molecular dynamics simulation, polymers, thermodynamics
論文來源:期刊
具體來源:Advanced Theory and Simulations
發表時間:2022年

The condensed structure of a material is the basis for the properties of polymeric materials, where the crystalline structure is the most ordered conformation of the polymer condensed structure. The mechanical properties are one of the most fundamental properties of polymer materials and the crystalline state has an important influence on the mechanical properties.

Here, the optimal chain conformation and the effect of optimization time on the temperature and energy of molecular thermodynamics and molecular dynamics are investigated using thiolated poly(ethylene glycol) as the base material. The simulation results show that the number of optimization steps and the simulation time are closely related to the molecular conformation of polymer single crystals. A new perspective is provided for exploring intra- and intermolecular interactions in polymer crystals and revealing their nature, establishing the link between chain structure and mechanical properties of materials, and designing and manufacturing polymer crystalline materials with better mechanical properties.


Copyright © 2005 Polymer.cn All rights reserved
中國聚合物網 版權所有
經營性網站備案信息

京公網安備11010502032929號

工商備案公示信息

京ICP證050801號

京ICP備12003651號

主站蜘蛛池模板: 桑植县| 隆化县| 廉江市| 亳州市| 岳普湖县| 通海县| 全椒县| 东兰县| 辽宁省| 开江县| 松桃| 兴安盟| 南靖县| 常宁市| 萨嘎县| 蒲城县| 高清| 海淀区| 泊头市| 巢湖市| 凤凰县| 清远市| 沂水县| 伊川县| 婺源县| 克山县| 新绛县| 积石山| 旬阳县| 阿坝县| 黄石市| 平阳县| 井陉县| 贵定县| 兰考县| 葫芦岛市| 灵寿县| 古丈县| 正镶白旗| 朔州市| 安龙县|