相关实验视频

Updated: Jun 22, 2025

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
08:55

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

Published on: June 7, 2018

8.5K

机器学习力场辅助集群扩展方法对合金材料的相位图

Jun-Zhong Xie1, Xu-Yuan Zhou1, Bin Jin1

  • 1Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Material Chemistry and Application, Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, 100871 Beijing, China.

Journal of chemical theory and computation
|June 28, 2024
PubMed
概括

开发准确的合金替代模型是必不可少的. 本研究引入了凸船体保存机器学习力场 (CHP-MLFF) 进行高效的合金模拟,改进相位图预测.

更多相关视频

Phase Diagram Characterization Using Magnetic Beads as Liquid Carriers12:37

Phase Diagram Characterization Using Magnetic Beads as Liquid Carriers

Published on: September 4, 2015

12.3K
Sputter Growth and Characterization of Metamagnetic B2-ordered FeRh Epilayers12:20

Sputter Growth and Characterization of Metamagnetic B2-ordered FeRh Epilayers

Published on: October 5, 2013

14.6K

相关概念视频

Metallic Solids02:37

Metallic Solids

Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
18.4K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
26.3K
Phase Diagrams02:39

Phase Diagrams

A phase diagram combines plots of pressure versus temperature for the liquid-gas, solid-liquid, and solid-gas phase-transition equilibria of a substance. These diagrams indicate the physical states that exist under specific conditions of pressure and temperature and also provide the pressure dependence of the phase-transition temperatures (melting points, sublimation points, boiling points). Regions or areas labeled solid, liquid, and gas represent single phases, while lines or curves represent...
40.5K
Hückel's Rule Diagram of π MOs: Frost Circle01:08

Hückel's Rule Diagram of π MOs: Frost Circle

The Frost circle or the inscribed polygon method is a graphical method for determining the relative energies of π molecular orbitals (MOs) for planar, fully conjugated, and monocyclic compounds. This method was first described by A. A. Frost and Boris Musulin in 1953.
A Frost circle is constructed by drawing a polygon whose number of edges is equal to the number of carbons of the given cyclic system, with one of the vertices pointing down. Then, a circle is drawn enclosing the polygon so...
4.4K
Mohr's Circle for Plane Strain01:18

Mohr's Circle for Plane Strain

Mohr's circle is a crucial graphical method used to analyze plane strain by plotting strain on a set of cartesian coordinates, where the abscissa is normal strain ∈ and the ordinate is shear strain γ. Similarly to Mohr’s circle for plane stress, two points X and Y are plotted. Their coordinates are (∈x, -γXY) and (∈Y, γXY), respectively.
Mohr's circle visually represents the strain states under various conditions, which is essential for...
496