超快激光诱导Cu薄膜熔化的神经网络分子动力学研究
Neural Network Molecular Dynamics Study of Ultrafast Laser-Induced Melting of Copper Nanofilms
(a) EDP-EDFT (b) fDP-fDFT (c) VDP-VDFT
超快激光诱导Cu薄膜熔化的神经网络分子动力学研究 |
| 高天雨, 曾启昱, 陈博, 康冬冬, 戴佳钰 |
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Neural Network Molecular Dynamics Study of Ultrafast Laser-Induced Melting of Copper Nanofilms |
| GAO Tianyu, ZENG Qiyu, CHEN Bo, KANG Dongdong, DAI Jiayu |
| 图1 Cu的DP模型预测值和密度泛函理论(DFT)计算的能量、受力和Virial张量的对比 |
| Fig.1 Comparisions of DP model predicted energy from DP model (EDP)，force (fDP), and virial tensor (VDP) of Cu with the energy (EDFT), force (fDFT), and virial tensor (VDFT) on the training set calculated by density functional theory (DFT) (a) EDP-EDFT (b) fDP-fDFT (c) VDP-VDFT |
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