中国物理B ›› 2026, Vol. 35 ›› Issue (4): 46801-046801.doi: 10.1088/1674-1056/ae0309

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Be–B thin film growth: A deep potential and molecular dynamics study

Xilei Wang(王熙蕾)1 and Hong Zhang(张红)1,2,†   

  1. 1 College of Physics, Sichuan University, Chengdu 610065, China;
    2 Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610065, China
  • 收稿日期:2025-04-24 修回日期:2025-07-29 接受日期:2025-09-04 出版日期:2026-03-24 发布日期:2026-03-24
  • 基金资助:
    We acknowledge the support of the National Key R&D Program of China (Grant No. 2024YFF0508503).

Be–B thin film growth: A deep potential and molecular dynamics study

Xilei Wang(王熙蕾)1 and Hong Zhang(张红)1,2,†   

  1. 1 College of Physics, Sichuan University, Chengdu 610065, China;
    2 Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610065, China
  • Received:2025-04-24 Revised:2025-07-29 Accepted:2025-09-04 Online:2026-03-24 Published:2026-03-24
  • Contact: Hong Zhang E-mail:hongzhang@scu.edu.cn
  • Supported by:
    We acknowledge the support of the National Key R&D Program of China (Grant No. 2024YFF0508503).

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摘要： Beryllium-boron (BeB) thin films are important target materials in inertial confinement fusion (ICF) experiments. In this work, molecular dynamics simulations combined with deep learning methods were employed to investigate the deposition behavior and structural evolution of BeB films. The effects of incident angle, incident energy and substrate temperature on the film growth process were systematically studied. A deep learning approach was used to develop interaction potentials based on Be and B elements and the known BeB crystalline phases, enabling an accurate description of cluster growth during deposition. The simulation results indicate that appropriate control of the incident parameters and substrate temperature can significantly improve the surface quality of the films. These findings may offer preliminary insights into the optimization of experimental conditions for the fabrication of high-quality BeB thin films.

关键词: growth of beryllium-boron films, deep potential energy function, molecular dynamics simulation, cluster sputtering

Abstract: Beryllium-boron (BeB) thin films are important target materials in inertial confinement fusion (ICF) experiments. In this work, molecular dynamics simulations combined with deep learning methods were employed to investigate the deposition behavior and structural evolution of BeB films. The effects of incident angle, incident energy and substrate temperature on the film growth process were systematically studied. A deep learning approach was used to develop interaction potentials based on Be and B elements and the known BeB crystalline phases, enabling an accurate description of cluster growth during deposition. The simulation results indicate that appropriate control of the incident parameters and substrate temperature can significantly improve the surface quality of the films. These findings may offer preliminary insights into the optimization of experimental conditions for the fabrication of high-quality BeB thin films.

Key words: growth of beryllium-boron films, deep potential energy function, molecular dynamics simulation, cluster sputtering

中图分类号:  (Thin film structure and morphology)

  • 68.55.-a
81.15.Aa (Theory and models of film growth)