Molecular dynamics simulation of ballistic effects in mesoporous silica
Molecular dynamics simulation of ballistic effects in mesoporous silica
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DOI：
10.1016/j.jnoncrysol.2020.120346
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发表时间：
2020-12
影响因子：
3.5
通讯作者：
Y. Lou;B. Siboulet;S. Dourdain;Mohamed Ruwaid Rafiuddin;X. Deschanels;J. Delaye
中科院分区：
文献类型：
--
作者：
Y. Lou;B. Siboulet;S. Dourdain;Mohamed Ruwaid Rafiuddin;X. Deschanels;J. Delaye
我们进行了模拟辐照的二氧化硅介孔样品。我们使用DL_POLY 3沿着与ZBL电位。辐照导致密度改变，其与沉积的能量相对应。我们用松弛周期交替替换位移。我们绘制压力变化并分析协调。
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.