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Article Dans Une Revue Journal of Non-Crystalline Solids Année : 2019

Molecular Dynamics Simulation of Mesoporous Silica under Ionic Ballistic Irradiations

Résumé

We performed simlulations of irradiation of silica mesoporous samples. We use DL_POLY 3 along with ZBL potentials. Irradiation results in a density modification which which trace versus the deposited energy. We alternate displacements cacsade with relaxation periods. We plot pressure variation and analyse the coordination.

Dates et versions

cea-04117821 , version 1 (05-06-2023)

Identifiants

Citer

Yu Lou, Bertrand Siboulet, Sandrine Dourdain, Xavier Deschanels, Jean-Marc Delaye. Molecular Dynamics Simulation of Mesoporous Silica under Ionic Ballistic Irradiations. Journal of Non-Crystalline Solids, 2019, 549, pp.120346. ⟨10.1016/j.jnoncrysol.2020.120346⟩. ⟨cea-04117821⟩
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