...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Materials science & engineering >Phenomenological models of Bombyx mori silk fibroin and their mechanical behavior using molecular dynamics simulations
【24h】

Phenomenological models of Bombyx mori silk fibroin and their mechanical behavior using molecular dynamics simulations

机译：使用分子动力学模拟的家蚕丝纤蛋白的现象学模型及其力学行为

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Bombyx mori silk fibroin (B. mori SF) is a promising biopolymer for use in biomedical applications such as tissue engineered grafts and as a load bearing biopolymer with biocompatible and bioresorbable properties. B. mori SF is a hierarchical bio- macro-molecule made up of amino acid (residue) chains consisting of a crystalline phase and an amorphous phase arranged in a specific order. Understanding about the mechanical behavior of B. mori SF at multiple length scales is of importance when developing tissue grafts, which requires a deeper understanding of the mechanics of its nanostructure. Four phenomenological models of B. mori SF nanostructures were developed, based on crystalline and amorphous phase connectivity. Tensile loading based mechanical behavior analysis of these models were performed using molecular dynamics (MD) simulations and compared with existing results from literature for selection of best performing model. Elastic modulus of similar to 7.4GPa and tensile strength of similar to 340 MPa were obtained for this model. Analysis of results reveals that deformation mechanisms in B. mori SF at nanoscale are a combination of tensile and shear deformations, wherein, the tensile deformation of amorphous region results into excessive extension of B. mori SF, whereas, shear deformation of crystalline region results into a high tensile strength. Overall, this work is instrumental in development of a right computational nanoscale model of SF nanostructure and provides deeper insights into the mechanistic interactions and mechanisms between amorphous and crystalline regions of B. mori SF, which would be useful for further studies of silk based biomaterials.
机译：家蚕丝素蛋白（B. mori SF）是一种有前途的生物聚合物，可用于生物医学应用，例如组织工程移植物，以及具有生物相容性和生物可吸收性的承重生物聚合物。桑蚕芽孢杆菌SF是由氨基酸（残基）链组成的分级生物大分子，该氨基酸（残基）链由以特定顺序排列的结晶相和无定形相组成。在开发组织移植物时，了解家蚕SF SF在多个长度尺度上的力学行为非常重要，这需要对其纳米结构的力学有更深入的了解。基于结晶相和非晶相的连通性，建立了桑蚕SF纳米结构的四种现象学模型。使用分子动力学（MD）模拟对这些模型进行基于拉伸载荷的机械行为分析，并将其与文献中的现有结果进行比较，以选择最佳性能的模型。对于该模型，获得了类似于7.4GPa的弹性模量和类似于340 MPa的拉伸强度。结果分析表明，纳米级B. mori SF的变形机制是拉伸和剪切变形的组合，其中，非晶区的拉伸变形导致B. mori SF的过度延伸，而结晶区的剪切变形导致高拉伸强度。总的来说，这项工作有助于建立正确的SF纳米结构计算纳米模型，并为深入了解B. mori SF的无定形和结晶区域之间的相互作用和机理提供了更深入的见解，这对于进一步研究基于丝绸的生物材料很有用。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号