Machine learning potential for melting and anomalous elastic behavior of body-centered-cubic vanadium and niobium at high pressures
编号:278 访问权限:仅限参会人 更新:2024-04-26 00:24:43 浏览:23次 张贴报告

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摘要
The group-VB transition metals vanadium (V) and niobium (Nb) exhibit a simple crystal structure under high pressure, yet display complex physical behaviors, like anomalous compression-induced softening heating-induced hardening (CISHIH) mechanical behavior. This study utilizes machine learning potential molecular dynamics method to investigate the melting behavior and abnormal mechanical softening-hardening behavior of V and Nb under high pressure. In contrast to V, the melting behavior of Nb significantly exceeds current theoretical and experimental results. The shock melting of Nb was first reported. The simulated X-ray Diffraction patterns at high temperatures suggests that the Pnma phase of Nb may not remain stable. Furthermore, the temperature-dependent anomalous elastic properties of V and Nb were investigated within a pressure range of 0-250 GPa. The mechanical properties of V and Nb undergo a transition from HIH to heating-induced softening, elucidating the interplay between thermal-expansion-induced softening and heating-induced hardening. This work based on machine learning potential has further deepened our understanding of the physical properties of V and Nb under high pressure, and has also provided a valuable reference for the study of the high-pressure physical properties of other metals.
关键词
Machine learning potential,anomalous elastic behavior,melting,vanadium and niobium,high pressure
报告人
豪 王
中国工程物理研究院流体物理研究所

稿件作者
豪 王 中国工程物理研究院流体物理研究所
Hua Geng CAEP;IFP
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    05月13日

    2024

    05月17日

    2024

  • 03月31日 2024

    注册截止日期

  • 04月15日 2024

    摘要截稿日期

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冲击波物理与爆轰物理全国重点实验室
浙江大学物理学院
中国核学会脉冲功率技术及其应用分会
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