中文题名: | 氢原子核量子效应研究进展 |
姓名: | |
保密级别: | 公开 |
论文语种: | chi |
学科代码: | 070201 |
学科专业: | |
学生类型: | 学士 |
学位: | 理学学士 |
学位年度: | 2023 |
校区: | |
学院: | |
第一导师姓名: | |
第一导师单位: | |
提交日期: | 2023-06-08 |
答辩日期: | 2023-05-06 |
外文题名: | Research progress of quantum effect of hydrogen nucleus |
中文关键词: | |
外文关键词: | Hydrogen atom ; Nuclear quantum effect ; Nuclear electron orbital method ; Path integral ; Stochastic self-consistent Harmonic approximation ; Proton transport ; Hydride |
中文摘要: |
氢原子在宇宙中广泛存在,是众多物质的组成元素,其结构简单,原子核仅被一个电子环绕,是质量最小的原子。也因此氢原子核常常展现出显著的核量子效应。为了兼顾核量子效应的计算效率和精度,需要应用一些特别的理论方法,比如核电子轨道方法、路径积分的分子动力学方法、随机自洽谐波近似和量子蒙特卡洛法等。与此同时,中子散射、固体核磁共振和扫描隧道显微镜等实验方法也都可以有效地研究氢原子的核量子效应。在核量子效应的影响下,氢化物的物质特性、质子输运的机制和一些物化反应的机理都呈现出了与经典物理不同的情况。本文主要介绍了研究氢原子核量子效应的几种理论和实验方法,以及如何应用它们去计算氢原子核量子效应带来的影响。 |
外文摘要: |
Hydrogen atom exists widely in the universe and is a constituent element of many substances. Its structure is simple. The nucleus is only surrounded by one electron and is the smallest atom in mass. Therefore, hydrogen nuclei often exhibit significant nuclear quantum effects. In order to take into account, the computational efficiency and accuracy of nuclear quantum effects, some special theoretical methods need to be applied, such as nuclear electron orbital method, path integral molecular dynamics method, random self-consistent harmonic approximation and quantum Monte Carlo method. At the same time, experimental methods such as neutron scattering, solid-state nuclear magnetic resonance and scanning tunneling microscopy can also effectively study the nuclear quantum effect of hydrogen atoms. Under the influence of nuclear quantum effect, the material properties of hydrides, the mechanism of proton transport and some physical and chemical reaction mechanisms are different from those of classical physics. This paper mainly introduces several theoretical and experimental methods for studying the quantum effects of hydrogen nuclei, and how to use them to calculate the effects of quantum effects of hydrogen nuclei. |
参考文献总数: | 34 |
馆藏号: | 本070201/23116 |
开放日期: | 2024-06-07 |