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Updated: Sep 10, 2025

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开发一个神经网络机器学习的原子间潜力,用于模拟La-Si-P系统的分子动力学

Ling Tang1, Weiyi Xia2,3, Gayatri Viswanathan2,4

  • 1School of Physics, Zhejiang University of Technology, Hangzhou 310023, China.

The Journal of chemical physics
|August 25, 2025
PubMed
概括

人工神经网络的机器学习潜力可以准确地模拟La-Si-P材料. 这种方法准确地模拟了晶体结构,液态和材料特性,与实验结果保持一致.

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相关概念视频

Trends in Lattice Energy: Ion Size and Charge02:54

Trends in Lattice Energy: Ion Size and Charge

An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
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