Multiscale Study of Shape-Memory Behavior of Semicrystalline Polyurethane Nanocomposites Doped with Silica Nanoparticles Based on Coarse-Grained Molecular Dynamics Simulation
Source abstract
Abstract
The thermo-mechanical behavior of shape-memory polyurethane (SMPU)–silica nanocomposites is studied. We propose a coarse-grained (CG) molecular dynamics (MD) model and capture atomic-level interactions, focusing on the interfacial region between the polymer matrix and nanoparticles. The shape-memory performances are evaluated according to the hard segment content (HSC) of the SMPU matrix and the weight percentage of nanoparticles. The study reveals that elevated silica contents trigger nanoparticle clustering, degrading the shape recovery. Additionally, HSC affects the matrix–nanoparticle compatibility and determines the degree of nanoparticle agglomeration and shape-memory properties. These findings contribute to designing deformations in semicrystalline shape-memory polymer nanocomposites and actuators.
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Research context
OpenAlex topics: Polymer composites and self-healing · Photochromic and Fluorescence Chemistry · Marine Sponges and Natural Products
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Mechanical Engineering, Seoul National University, Gwanak-Ro, Gwanak-Gu 08826, Republic of Korea
DRAM Process Development Team, Samsung Electronics Co., Ltd., Suwon 18448, Republic of Korea
Institute of Advanced Machines and Design, Seoul National University, Seoul 08826, Republic of Korea
Department of Mechanical Engineering, Ulsan National Institute of Science and Technology (UNIST), Ulsan 44919, Republic of Korea
Mechanical Engineering Division, School of Energy Systems Engineering, Chung-Ang University, 84 Heukseok-Ro, Dongjak-Gu 06974, South Korea
Funding
National Research Foundation of Korea
References (67)
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