开发神经网络潜力来研究固相外延中的界面现象

2021 IEEE 16th Nanotechnology Materials and Devices Conference (NMDC) Pub Date : 2021-12-12 DOI:10.1109/NMDC50713.2021.9677541

Ruggero Lot, L. Martin-Samos, Stefano de Gironcoli, A. Hémeryck

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引用次数: 0

摘要

在这项工作中，我们为硅开发了一种新的神经网络电位，并对液态、非晶态和金刚石相进行了精确的分子动力学模拟。对电势进行了几种物理性质的测试，并模拟了固相外延过程。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Developing a Neural Network potential to investigate interface phenomena in solid-phase epitaxy

In this work, we develop a new neural network potential for silicon and perform accurate molecular dynamics simulations of the liquid, amorphous and diamond phases. The potential is tested against several physical properties and the solid phase epitaxy process is simulated.

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2021 IEEE 16th Nanotechnology Materials and Devices Conference (NMDC)

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