Thermal and Mechanical Behavior of Polyimide-Polyurea Copolymers: Insights from Molecular Dynamics Simulations.

Shuaijiang Ma, Yizi Chen, Desen Cheng, Dongwei Xu, Xuyan Li, Baocheng Yang, Shiwei Wang

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Article in Polymers, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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7 authors.

Shuaijiang MaZhengzhou Key Laboratory of Fiber Reinforced Polymer Composites, Faculty of Engineering, Huanghe S&T University, Zhengzhou 450063, China.ORCID 0009-0004-7339-6111

Yizi ChenHigh-Tech Organic Fibers and Composite Materials Key Laboratory of Sichuan Province, China Bluestar Chengrand Co., Ltd., Chengdu 610041, China.

Desen ChengZhengzhou Key Laboratory of Fiber Reinforced Polymer Composites, Faculty of Engineering, Huanghe S&T University, Zhengzhou 450063, China.ORCID 0009-0009-7397-5048

Dongwei XuHenan Key Laboratory of Aeronautical Materials and Application Technology, School of Materials Science and Engineering, Zhengzhou University of Aeronautics, Zhengzhou 450046, China.

Xuyan LiZhengzhou Key Laboratory of Fiber Reinforced Polymer Composites, Faculty of Engineering, Huanghe S&T University, Zhengzhou 450063, China.

Baocheng YangZhengzhou Key Laboratory of Fiber Reinforced Polymer Composites, Faculty of Engineering, Huanghe S&T University, Zhengzhou 450063, China.

Shiwei WangNational Center for International Joint Research of Micro-Nano Molding Technology, School of Mechanics and Safety Engineering, Zhengzhou University, Zhengzhou 450001, China.

Funding

Doctoral Research Startup Fund of Huanghe S&T University 0203230453Education and Teaching Curriculum Reform and Practice Project of Huanghe S&T University kg2024cj02, kg233xm004Henan Province Science and Technology Research Project 252102231019Postgraduate Education Reform and Quality Improvement Project of Henan Province YJS2025GZZ63

6 · The paper itself

Abstract

Polyimide (PI) exhibits outstanding thermal stability and mechanical rigidity; however, their inherently rigid backbones lead to intrinsic brittleness, poor fracture toughness, and inferior impact resistance. Conversely, polyurea (PUA) features excellent elasticity, tunable soft-hard segment architectures, and a favorable balance of tensile strength and elongation at break. Herein, we systematically investigate the thermal and mechanical properties of 12 distinct PI, PUA, and PI-PUA copolymer systems via all-atom molecular dynamics simulations. Simulations demonstrate that rigid aromatic moieties significantly increase

Indexed as

all-atom molecular dynamicspolyimide-polyurea copolymersstructure–property relationshipsthermal–mechanical properties

Identifiers

PMID42514830

DOI10.3390/polym18141779

PMCPMC13417153

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