Four basic processes are envisioned, among them migration (diffusion), local rotation (reorientation), isothermic chemical reactions and nucleation. All of them are unified by a common approach to the barrier currents that has been suggested as far back as 1961 by John Bardeen and then extended by Stefan Christov some ten years later. By introducing the respective radial potentials, we incorporate Schroedinger's equation and thereby a quantum insight into the phenomena. Numerical calculations of the obtained statistical transition rates are reported.
A comparative study of the magnetic and magnetotransport properties between a metallic (x=0.6) and a semiconducting (x=0.2) member of the solid solution LaNixCo1-xO3
A Comparative Study of Molecular Dynamics Approaches for Simulating Ionic Conductivity in Solid Lithium Electrolytes
Université de Montréal（蒙特利尔大学）；Mila – Quebec AI Institute（米拉-魁北克人工智能研究所）；National Research Council Canada（加拿大国家研究委员会）；Institut Courtois, Université de Montréal（蒙特利尔大学库尔图瓦研究所）
Potential-Barrier Affinity Effect in Solid Systems
Key Laboratory of Material Simulation Methods & Software of Ministry of Education, College of Physics, Jilin University（吉林大学物理学院教育部材料模拟方法与软件重点实验室）；Institute of High Pressure Physics, School of Physical Science and Technology, Ningbo University（宁波大学物理科学与技术学院高压物理研究所）；Center for High-Pressure Science and Technology, School of Physics and Institute of Fundamental and Transdisciplinary Research, Zhejiang University（浙江大学物理学院基础与交叉研究院高压科学与技术中心）
Statistical transfer rates associated with higher-symmetry potential-energy wells in solids: Application to photoinduced desorption and electrification
Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl$_2$O$_4$
(Li，Al）共掺杂镁尖晶石（Li $_x$ Mg $_{1-2x}$ Al $_{2+x}$ O $_4$）是一种固体锂离子电解质，有可能用于全固态锂离子电池。与尖晶石电极（例如Li $_y$ Mn $_2$ O $_4$和Li $_{4+3z}$ Ti $_5$ O $_{12}$）的界面可以是晶格匹配的，具有潜在的低界面电阻。晶格匹配界面上的小晶格参数差异是不可避免的，导致残余外延应变。这种应变可能会改变界面附近的锂扩散，从而导致界面电阻。在这里，我们报告了一个密度泛函理论研究的应变影响的锂扩散途径（锂，铝）共掺杂镁尖晶石，$x_\mathrm{Li} = 0.25$和$x_\mathrm{Li} = 0.5$。我们已经计算了扩散分布的非应变材料，各向同性和双轴拉伸应变高达6%，对应于{100}外延界面与Li $_y$ Mn $_2$ O $_4$和Li $_{4+3z}$ Ti $_5$ O $_{12}$。我们发现，各向同性的拉伸应变减少锂扩散障碍多达0.32 eV，与典型的障碍减少约0.1 eV。这种效应与过渡八面体站点的体积增加有关，并且广泛地遵循局部静电势。对于双轴（外延）应变变化的八面体网站的体积和锂扩散障碍比各向同性应变小得多。典型的势垒仅降低~ 0.05 eV。然而，个体效应取决于所考虑的途径和相对应变方向。这些结果预测，各向同性应变强烈影响离子电导率（Li，…
From anti-perovskite to double anti-perovskite: lattice chemistry basis for super-fast transportation of Li+ ions in cubic solid lithium halogen-chalcogenides
Sluggish and Chemically-Biased Interstitial Diffusion in Concentrated Solid Solution Alloys: Mechanisms and Methods
City University of Hong Kong（香港城市大学）；City University of Hong Kong Shenzhen Research Institute（香港城市大学深圳研究院）；Hong Kong Institute for Advanced Study, City University of Hong Kong（香港城市大学香港高等研究院）
