An atomistic model of silk protein network for studying the effect of pre-stretching on the mechanical performances of silks

作     者：Wenhui Shen Zihan Tang Xuwei Wu Liang Pan Yuan Cheng Bo Huo Jizhou Song Weiqiu Chen Baohua Ji Dechang Li 沈文辉;唐梓涵;吴徐伟;潘亮;程渊;霍波;宋吉舟;陈伟球;季葆华;李德昌

作者机构：Biomechanics and Biomaterials LaboratoryDepartment of Applied MechanicsBeijing Institute of TechnologyBeijing100081China Key Laboratory of Soft Machines and Smart Devices of Zhejiang ProvinceDepartment of Engineering MechanicsZhejiang UniversityHangzhou310027China Innovative Centre for Flexible Devices(iFLEX)School of Materials Science and EngineeringNanyang Technological UniversitySingapore639798Singapore Monash Suzhou Research InstituteMonash UniversitySuzhou215000China Department of Materials Science and EngineeringMonash UniversityMelbourne3800Australia 

出 版 物：《Acta Mechanica Sinica》 (力学学报（英文版）)

年 卷 期：2022年第38卷第6期

页      面：55-68,I0001页

核心收录：

学科分类：08[工学] 080102[工学-固体力学] 0801[工学-力学（可授工学、理学学位）] 

基　　金：This work was supported by the National Natural Science Foundation of China(Grants Nos.12122212 11932017 11772054 and 11772055) 

主　　题：Silk protein Amorphous domain β-sheet crystallite Mechanical performances Molecular dynamics 

摘      要：Silk protein builds one of the strongest natural fibers based on its complex nanocomposite ***,the mechanical performance of silk protein,related to its molecular structure and packing is still *** this study,we constructed an atomistic silk protein network model,which reproduces the extensive connection topology of silk protein with structure details of theβ-sheet crystallites and amorphous *** the silk protein network model,we investigated the structure evolution and stress distribution of silk protein under external *** found a pre-stretching treatment during the spinning process can improve the strength of silk *** treatment improves the properties of silk protein network,i.e.,increases the number of nodes and bridges,makes the nodes distributed homogeneously,and induces the bridges in the network well aligned to the loading direction,which is of great benefit to the mechanical performances of silk *** study not only provides a realized atomistic model for silk protein network that well represents the structures and deformations of silk proteins under loading,but also gains deep insights into the mechanism how the pre-loading on silk proteins during spinning improves the mechanical properties of silk fibers.