Lattice dynamics of hydrogen-substituted graphene systems 氢掺杂单层石墨体系的晶格动力学研究
Lattice Dynamics and First Principle Study of Graphene Nanoribbons 石墨带的晶格动力学和第一性原理研究
Lattice dynamics of molecucrystals 分子结晶晶格动力学
Structure, Symmetry and Lattice Dynamics of Carbon Nanotubes 碳纳米管的结构、对称性及晶格动力学
Nonlinear lattice dynamics of atomic chains 原子链中的非线性晶格动力学
The method of symmetric coordinates in molecular theory is extended to finite lattice dynamics. 将分子理论中的对称坐标方法推广至有限晶格动力学.提出自对称和反自对称坐标的概念和处理方法;
Thermodynamics properties and lattice dynamics of Aluminum 铝热力学特性的晶格动力学研究
In chapter 4, we investigated the behavior of wave in a nonlinear monatomic chain with damping. Parameter dissipation nonlinear Schrodinger ( PDNLS) equation of lattice dynamics is first obtained. Then we discuss effect of damping on soliton of monatomic chain. 第四章,我们研究弱阻尼作用下非线性单原子链中的波动行为,首次在晶格动力学中得到了参数耗散型非线性Schrodinger方程oDNLS方程人以及阻尼对单原子链中孤立子的影响。
Symmetry Properties of the Lattice Dynamics of Nonrigid Molecular Crystals 非刚性分子晶格动力学的对称性质
Lattice Dynamics Study of B2 FeAl Alloy by Using the Embedded Atom Method B2FeAl合金晶格动力学的嵌入原子模型计算
First-principle lattice dynamics study on thermodynamic properties 材料热力学性质的第一原理晶格振动计算研究
The Wave Vector Representations in Lattice Dynamics 晶格动力学中的波矢表象
Based on this, the lattice dynamics of the GAN/ AlN superlattice is studied. 在此基础上研究了应变对GaN/AlN超晶格的L-声子的色散关系和振动模式的影响。
Characteristics of SH wave propagation in finite element discrete models whose element shapes are distorted are studied by making use of the lattice dynamics analysis method in this paper. 本文采用晶格动力学分析方法,研究了有限元畸变单元离散模型中的SH波的传播规律。
The Raman spectra of KTP single crystal that is an excellent material applicable to the nonlinear optical devices have been obtained. And its features are discussed in some detail in terms of group the-ory, lattice dynamics and ligand field theory. 测量了性能优良的非线性光学材料KTP单晶的Raman谱,并从群论、晶格动力学理论和配位场理论对其特点进行了详细的讨论。
Recently dislocation equation based on the crystal lattice dynamics has been derived considering interacts of atoms by means of Green Function in two-dimensional triangular crystal and isotropic simple-cubic crystal. 最近,人们基于晶格动力学理论,考虑原子之间的相互作用,利用格林函数方法严格推导了二维三角晶体和各向同性简立方晶体中的位错方程。
Lattice dynamics green's functions and lattice vibrations of crystal nano-wires 纳米晶体线的晶格动力学格林函数及晶格振动
Self symmetric Coordinates in Finite Lattice Dynamics 有限晶格动力学中的自对称坐标
The thesis has been divided into the following five parts: In Chapter 1, we briefly introduce the development of ab initio calculation method and its application in exploring quantum size effects and lattice dynamics in metals. 在第一章绪言中,我们简要介绍了第一原理计算在材料科学中的应用,并概括介绍了当前关于金属薄膜的量子尺寸效应和晶格动力学的研究进展。
We have calculated the phonon spectrum of trigonal lattice of two-dimensional pre-and after Peierls phase transition applying lattice dynamics in this article. 利用晶格动力学理论计算了二维三角晶格的Peierls相变前后的声子能谱。
Structure, Symmetry and Lattice Dynamics of Single Wall Boron Nitride Nanotubes 单壁氮化硼纳米管的结构、对称性和晶格动力学
In the third chapter, the surface vibration and thermodynamic properties of some typical surfaces for FCC and HCP metals are studied by means of the surface lattice dynamics and the analytic EAM. 利用分析型嵌入原子模型与表面晶格动力学理论,第三章研究了FCC与HCP金属表面在简谐近似下的振动,及表面热力学性质。
The difference equation for lattice dynamics Green's functions of a crystal nano-wire are solved, the lattice vibrations are analyzed, and the formulas for atomic displacements and Hamiltonian in phonon occupation number representation are obtained. 通过求解差分方程,推导了纳米晶体线的晶格动力学格林函数,分析了其晶格振动,并推导了声子数表象中的原子位移及晶格振动哈密顿公式。
Considering second-neighbour interaction, the distribution of vibrational eigenvectors in one-dimensional disordered system is calculated by means of lattice dynamics and a new algorithm for five diagonal matrix. 应用点阵动力学的方法以及五对角对阵矩阵本征矢算法,考虑原子间次近邻相互作用,计算了一维无序体系的振动本征态的分布。
The study on the carbon nanotubes lattice dynamics can supply information about tube structure and chirality. 碳纳米管晶格动力学的研究可以提供碳纳米管结构和螺旋性等方面的相关信息。
The nonlinear lattice dynamics and an expression of nonlinear macroscopic polarization are derived in terms of optic phonon modes. 导出了用简正坐标即声子模式所表达的非线性晶格动力学和非线性宏观极化。
The Density Functional Perturbation Theory can be used to reveal the lattice dynamics based the Density Functional Theory. 其中,密度泛函微扰理论在研究晶格动力学方面是一个十分有效的方法。
A new approach to simulate all the thermal properties of MEMS components based on lattice dynamics is put forward in this dissertation, and is applied to study the thermal properties of silicon films and argon films. 本文提出了基于晶格动力学的模拟MEMS构件热学性质的新方法,并将其用于硅晶体薄膜和氩晶体薄膜的热学性质的研究。
The main difficulties lie in that the classical mechanics, lattice dynamics, molecule dynamics and other traditionally theoretical and numerical methods have not been well suitable to study such systems with a broken symmetry. 主要的困难在于经典力学、经典的晶格动力学等理论和分子动力学等纯数值方法已经不太适应这些对称性发生了破缺的新型结构体系。
Lattice dynamics simulations are then carried out for gas hydrates and inelastic neutron scattering experimental results are employed for comparison. 接下来使用点阵动力学对气体水合物展开了模拟研究,并将计算结果与非弹性中子散射的试验结果进行了对比。