深度势能方法在材料科学中的应用
Deep Potentials for Materials Science
(a1) DP model (red solid lines) and experiment (gray solid lines) for T < 420 K (P—pressure, F—fluid)
(a2) phase diagram at high T and P
(b) phase diagram of TIP4P/2005[
深度势能方法在材料科学中的应用 |
| 文通其, 刘怀忆, 龚小国, 叶贝琳, 刘思宇, 李卓远 |
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Deep Potentials for Materials Science |
| WEN Tongqi, LIU Huaiyi, GONG Xiaoguo, YE Beilin, LIU Siyu, LI Zhuoyuan |
| 图6 DP和经验势函数H2O相图的计算结果与实验的比较[ |
| Fig.6 Phase diagram of water[ (a1) DP model (red solid lines) and experiment (gray solid lines) for T < 420 K (P—pressure, F—fluid) (a2) phase diagram at high T and P (b) phase diagram of TIP4P/2005[ |
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