Molecular Dynamics Simulation Study on the Creep Behavior of Ultra-High-Molecular-Weight Polyethylene 


Vol. 61,  No. 4, pp. 211-216, Aug.  2024
10.12772/TSE.2024.61.211


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  Abstract

Molecular dynamics (MD) simulations were used to elucidate the creep behavior of ultra-high molecular weight polyethylene (UHMWPE), a material critical for medical implants and high performance applications. Using the LAMMPS software and the General Amber Force Field (GAFF), UHMWPE chains with 500 repeat units were modeled. The simulation protocol included energy minimization, NVT and NPT ensemble equilibration, followed by application of creep conditions. Results showed that creep strain increased with simulation time and temperature, which was attributed to increased molecular mobility. The applied load magnitude correlated positively with creep strain, emphasizing the critical nature of load management. Investigation of polymer chain length effects revealed that shorter chains exhibited higher creep strain, likely due to increased molecular mobility and rearrangement capacity. In addition to providing fundamental insights into the mechanical behavior of UHMWPE, this study demonstrates the power of MD simulations in predicting material performance under various conditions. These findings have significant implications for the design and optimization of UHMWPE-based products, potentially revolutionizing their durability and performance in critical applications.

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  Cite this article

[IEEE Style]

T. H. Oh and Y. M. Im, "Molecular Dynamics Simulation Study on the Creep Behavior of Ultra-High-Molecular-Weight Polyethylene," Textile Science and Engineering, vol. 61, no. 4, pp. 211-216, 2024. DOI: 10.12772/TSE.2024.61.211.

[ACM Style]

Tae Hwan Oh and Yeong Min Im. 2024. Molecular Dynamics Simulation Study on the Creep Behavior of Ultra-High-Molecular-Weight Polyethylene. Textile Science and Engineering, 61, 4, (2024), 211-216. DOI: 10.12772/TSE.2024.61.211.

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pISSN : 1225 - 1089
eISSN : 2288 - 6419

한국연구재단 우수등재학술지 유지 (2022년)