预测环境稳定的和超硬的
Xiaoshang Wen1, Runqing Zhang1, Junzhao Li1
1School of Physics and Optoelectronic Engineering, Guangdong University of Technology, Guangzhou, 510006, China. hfdong@gdut.edu.cn.
Physical chemistry chemical physics : PCCP
|March 21, 2025
概括
研究人员发现了新的结构,包括超硬相 (Pm3m-U),挑战了以前的模型. 这一发现为提供了关键的理论见解.
科学领域:
- * 材料科学 材料科学
- * 凝聚物质物理学 凝聚物质物理学
- * 核工程 核工程
背景情况:
- * 在核物理,工程和医学中的关键作用需要对其属性的彻底了解.
- *现有的环境压力结构模型可能不完整或不准确,需要重新评估.
研究的目的:
- * 在环境压力下研究和识别的新型稳定结构.
- * 确定新发现的相的机械性能,特别是硬度.
- * 为了阐明中压力诱导的相变序列.
主要方法:
- *利用*ab initio*进化算法来预测新的结构.
- *计算了声子分散曲线和带结构,以评估动态稳定性.
- *计算维克尔硬度和剪切模量来描述机械性能.
主要成果:
- * 在环境压力下确定了三种新的结构:Pnma-U,P1̄-U和Pm3̄m-U.
- * Pnma-U在零压下表现出比实验报告的Cmcm-U更低的能量,由于不同的U-U键,其对称性减少.
- * Pm3̄m-U被确定为最硬的相 (维克斯硬度~40.89 GPa),在动因化物系列中具有最短的键长和最高的剪切模量,使其成为超硬导电材料.
- *证实了Pnma-U,P1̄-U,Pm3̄m-U和Cmcm-U在环境压力下的动态稳定性.
- * 确定了的压力诱导相变序列.
结论:
- * 该研究揭示了在环境压力下以前未知的稳定结构,修订了目前的结构理解.
- * 发现超硬Pm3̄m-U提供了一种具有特殊机械性质的独特导电性活性物质.
- * 发现为在各种科学和工业领域的未来应用提供了重要的理论指导.
更多相关视频
04:51Comparison of Two Different Synthesis Methods of Single Crystals of Superconducting Uranium Ditelluride
Published on: July 8, 2021
2.7K
12:05U2O5 Film Preparation via UO2 Deposition by Direct Current Sputtering and Successive Oxidation and Reduction with Atomic Oxygen and Atomic Hydrogen
Published on: February 21, 2019
7.9K
相关概念视频
Nuclear Transmutation
17.3K
Nuclear transmutation is the conversion of one nuclide into another. It can occur by the radioactive decay of a nucleus, or the reaction of a nucleus with another particle. The first manmade nucleus was produced in Ernest Rutherford’s laboratory in 1919 by a transmutation reaction, the bombardment of one type of nuclei with other nuclei or with neutrons. Rutherford bombarded nitrogen-14 atoms with high-speed α particles from a natural radioactive isotope of radium and observed...
17.3K
Nuclear Stability
18.4K
Protons and neutrons, collectively called nucleons, are packed together tightly in a nucleus. With a radius of about 10â15 meters, a nucleus is quite small compared to the radius of the entire atom, which is about 10â10 meters. Nuclei are extremely dense compared to bulk matter, averaging 1.8 Ã 1014 grams per cubic centimeter. If the earthâs density were equal to the average nuclear density, the earthâs radius would be only about 200 meters.
To hold positively charged...
To hold positively charged...
18.4K
Radioactivity and Nuclear Equations
20.5K
Nuclear chemistry is the study of reactions that involve changes in nuclear structure. The nucleus of an atom is composed of protons and, except for hydrogen, neutrons. The number of protons in the nucleus is called the atomic number (Z) of the element, and the sum of the number of protons and the number of neutrons is the mass number (A). Atoms with the same atomic number but different mass numbers are isotopes of the same element.
A nuclide of an element has a specific number of protons and...
A nuclide of an element has a specific number of protons and...
20.5K
Nuclear Power
7.6K
Controlled nuclear fission reactions are used to generate electricity. Any nuclear reactor that produces power via the fission of uranium or plutonium by bombardment with neutrons has six components: nuclear fuel consisting of fissionable material, a nuclear moderator, a neutron source, control rods, reactor coolant, and a shield and containment system.
Nuclear Fuels
Nuclear fuel consists of a fissile isotope, such as uranium-235, which must be present in sufficient quantity to provide a...
Nuclear Fuels
Nuclear fuel consists of a fissile isotope, such as uranium-235, which must be present in sufficient quantity to provide a...
7.6K
Atomic Nuclei: Nuclear Spin State Population Distribution
908
Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
908
Nuclear Fusion
17.2K
The process of converting very light nuclei into heavier nuclei is also accompanied by the conversion of mass into large amounts of energy, a process called fusion. The principal source of energy in the sun is a net fusion reaction in which four hydrogen nuclei fuse and ultimately produce one helium nucleus and two positrons.
A helium nucleus has a mass that is 0.7% less than that of four hydrogen nuclei; this lost mass is converted into energy during the fusion. This reaction produces about...
A helium nucleus has a mass that is 0.7% less than that of four hydrogen nuclei; this lost mass is converted into energy during the fusion. This reaction produces about...
17.2K
