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Volume 10, Number 1, January 2025 , pages 51-71 DOI: https://doi.org/10.12989/acd.2025.10.1.051 |
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Computational analysis of molecular dynamics results in a fuzzy scaled system |
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C.C. Hung, T. Nguyễn and C.Y. Hsieh
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| Abstract | ||
| This study presents a computational analysis of molecular dynamics results within a fuzzy scaled system framework. Molecular dynamics simulations are widely used to investigate the behavior of materials at the atomic level, providing insights into their structural and dynamic properties. However, the inherent uncertainties and complexities in molecular interactions often challenge traditional analytical approaches. By applying fuzzy logic to the analysis of molecular dynamics results, we can effectively capture the variability in atomic interactions and enhance the interpretation of simulation outcomes. This approach enables the development of a more nuanced understanding of material behaviors under various conditions, accounting for factors such as temperature fluctuations and external stresses. The fuzzy scaled system allows for the integration of qualitative and quantitative data, facilitating a comprehensive assessment of molecular dynamics results. Through detailed computational experiments, we demonstrate the efficacy of the fuzzy scaled system in analyzing molecular dynamics data, highlighting its ability to improve prediction accuracy and provide meaningful insights into material properties. The findings underscore the potential of combining fuzzy logic with molecular dynamics simulations to advance the field of computational materials science. This research contributes to the development of more robust analytical tools for interpreting complex molecular behaviors, ultimately paving the way for innovations in material design and engineering applications. | ||
| Key Words | ||
| Fuzzy grey GM(1,1) model; nanocomposite; nonlocal elasticity; size-dependent properties; stability | ||
| Address | ||
| C.C. Hung: School of Big Data, Fuzhou University of International Studies and Trade, No. 28, Yuhuan Road, Shouzhan New District, Changle District, Fuzhou City, Fujian Province, PR China T. Nguyễn: Ha Tinh University, Dai Nai Ward, Ha Tinh City, Vietnam C.Y. Hsieh: National Pingtung University Education School, No.4-18, Minsheng Rd., Pingtung City, Pingtung County 900391, Taiwan | ||
