【摘 要】
:
We study the transverse Ising spin model with multi-impurity under the exact solution.The influence mechanisms of the concentration,configuration,impurity-i
【机 构】
:
Key Laboratory of Functional Materials and Devices for Special Environments of CAS,Xinjiang Technica
【出 处】
:
第八届国际分子模拟与信息技术应用学术会议
论文部分内容阅读
We study the transverse Ising spin model with multi-impurity under the exact solution.The influence mechanisms of the concentration,configuration,impurity-inducing-interaction are investigated through the deformation energy,long-range order and the specific heat.It reveals a way that the impurities have crucial effects on the magnetic order of the system,which can be used to scale the order–disorder transition.In particular,the change of the exchange coupling interaction or magnetic field can lead to the deviation of the phase point.Moreover,the impurity excitation cannot be neglected in thermodynamic properties even though the concentration is only a few percent.
其他文献
利用第一性原理程序CASTEP计算了钼亚碲晶体线性和非线性光学.计算得到的倍频系数与实验值取得了很好的一致.计算表明,非线性光学效应的大小不依赖于偶极矩.基于键的化合价的
生长出了直径高达1.5cm的Ba5(BO3)3F的单晶体,在0.22-6.66um的范围内都具有良好的透光特性.在300K和80K,Γ点处的直接带隙分别为5.31和5.40eV.在近截止边的荧光波长为265和36
本文主要研究正戊烷在Y型分子筛上的反应机理,利用基于密度泛函理论的DMol3模块中的密度泛函m-GGA-M06-L方法在DNP基组水平上完成,从H-FAU周期性模型中截取46T簇模型来模拟Y
随着石油资源的开采利用,我国石化行业面临着原料重质化和环保要求日趋严格的现状.将重质劣质原料油进行加氢处理作为催化裂化进料有利于减少尾气污染、提高轻质油品的收率.8
团队立足石油工程领域,从材料学的视角,借助多尺度模拟技术,深入研究石油开采中的若干基础科学问题,为老油田的深度开发、非常规油气藏的有效开采提供理论和技术支撑.墙报内
有关非均相催化氧化技术在CO,硫化物等容易引起催化剂中毒的气体控制方面的应用,已经取得了一系列的研究进展.近年来,新型二维-材料负载的后过渡金属单原子催化剂的应用得到
The introduction of INF inhibitors has revolutionized the treatment of some chronic inflammatory diseases,e.g.,rheumatoid arthritis and Crohn's disease.Howe
Metal lone pairs plays an important role in determining the SHG enhancement and bandgap red shift.In this work,the electronic structures and optical propert
The Pb(Ⅱ)cations have long been associated with lone-pairs which can help to enhance the optical anisotropic birefringence.In this paper,the contribution o