{"title":"C/C复合材料非晶碳界面相增强机理的多尺度研究","authors":"Dongmei Zhao , Lingzhi Cong , Mingyi Tan , Xinghong Zhang , Yuhang Jing","doi":"10.1016/j.commatsci.2025.113876","DOIUrl":null,"url":null,"abstract":"<div><div>Interphase plays a significant role in composite materials, which could be optimized to enhance the mechanical properties of composites. This paper proposes a multi-scale strategy based on Molecular Dynamics (MD) and Finite Element Method (FEM) to investigate the enhancement mechanism of amorphous carbon (a-C) interphase in C/C woven composites. Firstly, at the micro-scale, MD simulations are conducted to evaluate the influence of density and thickness of the a-C interphase to the C/C micro representative volume element (micro-RVE). Further, at the meso-scale, FEM simulations with the 3D Hashin damage and the maximum stress criterion are conducted to evaluate the damage evolution and the effective mechanical properties of the woven composites. Comprehensive multiscale simulations reveal that the microstructure and interphase property of the a-C interphase significantly impact the micro-RVE of C/C composite at the microscopic level, which would influence the effective mechanical property of the meso-RVE of C/C woven composites.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"254 ","pages":"Article 113876"},"PeriodicalIF":3.1000,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A multiscale approach for enhancement mechanism of amorphous-carbon interphase on C/C composites\",\"authors\":\"Dongmei Zhao , Lingzhi Cong , Mingyi Tan , Xinghong Zhang , Yuhang Jing\",\"doi\":\"10.1016/j.commatsci.2025.113876\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Interphase plays a significant role in composite materials, which could be optimized to enhance the mechanical properties of composites. This paper proposes a multi-scale strategy based on Molecular Dynamics (MD) and Finite Element Method (FEM) to investigate the enhancement mechanism of amorphous carbon (a-C) interphase in C/C woven composites. Firstly, at the micro-scale, MD simulations are conducted to evaluate the influence of density and thickness of the a-C interphase to the C/C micro representative volume element (micro-RVE). Further, at the meso-scale, FEM simulations with the 3D Hashin damage and the maximum stress criterion are conducted to evaluate the damage evolution and the effective mechanical properties of the woven composites. Comprehensive multiscale simulations reveal that the microstructure and interphase property of the a-C interphase significantly impact the micro-RVE of C/C composite at the microscopic level, which would influence the effective mechanical property of the meso-RVE of C/C woven composites.</div></div>\",\"PeriodicalId\":10650,\"journal\":{\"name\":\"Computational Materials Science\",\"volume\":\"254 \",\"pages\":\"Article 113876\"},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2025-04-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computational Materials Science\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0927025625002198\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Materials Science","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927025625002198","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
A multiscale approach for enhancement mechanism of amorphous-carbon interphase on C/C composites
Interphase plays a significant role in composite materials, which could be optimized to enhance the mechanical properties of composites. This paper proposes a multi-scale strategy based on Molecular Dynamics (MD) and Finite Element Method (FEM) to investigate the enhancement mechanism of amorphous carbon (a-C) interphase in C/C woven composites. Firstly, at the micro-scale, MD simulations are conducted to evaluate the influence of density and thickness of the a-C interphase to the C/C micro representative volume element (micro-RVE). Further, at the meso-scale, FEM simulations with the 3D Hashin damage and the maximum stress criterion are conducted to evaluate the damage evolution and the effective mechanical properties of the woven composites. Comprehensive multiscale simulations reveal that the microstructure and interphase property of the a-C interphase significantly impact the micro-RVE of C/C composite at the microscopic level, which would influence the effective mechanical property of the meso-RVE of C/C woven composites.
期刊介绍:
The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.