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Technical Note
Online Published: 27 Dec 2024
 


Molecular Dynamics Analysis of Atomic Diffusion and Crystallization Behavior of Pure Silver in the Vitreous State under Varied External Pressures

Tarik El Hafi, Soufiane Assouli, Abdelaziz El Kharraz, Omar Bajjou, Youssef Lachtioui.


Abstract
This study investigates the atomic diffusion and crystallization behavior of pure silver in the vitreous state under varying external pressures, using molecular dynamics simulations. The primary aim is to assess the effects of pressure on the structural dynamics and stability of silver at the atomic level. The results indicate that increasing pressure leads to a decrease in diffusion coefficients, signifying reduced atomic mobility due to denser atomic packing. Structural analysis through Voronoi tessellation reveals a shift from distorted, mixed-like clusters toward a predominance of crystal-like clusters, suggesting enhanced crystallinity with higher pressures. This is further supported by an increased frequency of 14-coordinated clusters in the coordination number distribution. These findings highlight the impact of pressure on the structural ordering of metallic glass and offer insights into its behavior at different length scales.

Key words: Molecular dynamics, Silver metallic glass, Atomic diffusion, Crystallization, External pressure, Vitreous state.


 
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How to Cite this Article
Pubmed Style

Hafi TE, Assouli S, Kharraz AE, Bajjou O, Lachtioui Y. Molecular Dynamics Analysis of Atomic Diffusion and Crystallization Behavior of Pure Silver in the Vitreous State under Varied External Pressures. Sol. Energy Sustain. Dev.. 2024; 14(2): 12-21.

doi:10.51646/jsesd.v14iSI_MSMS2E.406

Web Style

Hafi TE, Assouli S, Kharraz AE, Bajjou O, Lachtioui Y. Molecular Dynamics Analysis of Atomic Diffusion and Crystallization Behavior of Pure Silver in the Vitreous State under Varied External Pressures. https://www.jsesd.org/?mno=302658316 [Access: November 12, 2026].

doi:10.51646/jsesd.v14iSI_MSMS2E.406

AMA (American Medical Association) Style

Hafi TE, Assouli S, Kharraz AE, Bajjou O, Lachtioui Y. Molecular Dynamics Analysis of Atomic Diffusion and Crystallization Behavior of Pure Silver in the Vitreous State under Varied External Pressures. Sol. Energy Sustain. Dev.. 2024; 14(2): 12-21.


doi:10.51646/jsesd.v14iSI_MSMS2E.406

Vancouver/ICMJE Style

Hafi TE, Assouli S, Kharraz AE, Bajjou O, Lachtioui Y. Molecular Dynamics Analysis of Atomic Diffusion and Crystallization Behavior of Pure Silver in the Vitreous State under Varied External Pressures. Sol. Energy Sustain. Dev.. (2024), [cited November 12, 2026]; 14(2): 12-21.


doi:10.51646/jsesd.v14iSI_MSMS2E.406

Harvard Style

Hafi, T. E., Assouli, . S., Kharraz, . A. E., Bajjou, . O. & Lachtioui, . Y. (2024) Molecular Dynamics Analysis of Atomic Diffusion and Crystallization Behavior of Pure Silver in the Vitreous State under Varied External Pressures. Sol. Energy Sustain. Dev., 14 (2), 12-21.


doi:10.51646/jsesd.v14iSI_MSMS2E.406

Turabian Style

Hafi, Tarik El, Soufiane Assouli, Abdelaziz El Kharraz, Omar Bajjou, and Youssef Lachtioui. 2024. Molecular Dynamics Analysis of Atomic Diffusion and Crystallization Behavior of Pure Silver in the Vitreous State under Varied External Pressures. Solar Energy and Sustainable Development, 14 (2), 12-21.


doi:10.51646/jsesd.v14iSI_MSMS2E.406

Chicago Style

Hafi, Tarik El, Soufiane Assouli, Abdelaziz El Kharraz, Omar Bajjou, and Youssef Lachtioui. "Molecular Dynamics Analysis of Atomic Diffusion and Crystallization Behavior of Pure Silver in the Vitreous State under Varied External Pressures." Solar Energy and Sustainable Development 14 (2024), 12-21.


doi:10.51646/jsesd.v14iSI_MSMS2E.406

MLA (The Modern Language Association) Style

Hafi, Tarik El, Soufiane Assouli, Abdelaziz El Kharraz, Omar Bajjou, and Youssef Lachtioui. "Molecular Dynamics Analysis of Atomic Diffusion and Crystallization Behavior of Pure Silver in the Vitreous State under Varied External Pressures." Solar Energy and Sustainable Development 14.2 (2024), 12-21. Print.


doi:10.51646/jsesd.v14iSI_MSMS2E.406

APA (American Psychological Association) Style

Hafi, T. E., Assouli, . S., Kharraz, . A. E., Bajjou, . O. & Lachtioui, . Y. (2024) Molecular Dynamics Analysis of Atomic Diffusion and Crystallization Behavior of Pure Silver in the Vitreous State under Varied External Pressures. Solar Energy and Sustainable Development, 14 (2), 12-21.


doi:10.51646/jsesd.v14iSI_MSMS2E.406

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