晶格动力学

基于第一性原理计算的C、Si、Ge的原子间相互作用势及晶格动力学

Ab Initio Interatomic Potentials and Lattice Dynamics of C , Si and Ge

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。

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 .

正方结构La（2-x）MxCuO4的晶格动力学

The lattice dynamics of tetragonal la_ ( 2-x ) m_xcuo_4

fcc过渡族金属晶格动力学的改进分析型EAM模型计算

Lattice dynamics of fcc transition metals by modified analytic embedded - atom method

Toda非线性晶格动力学方程孤波解的实指数方法研究

Real exponential approach of toda nonlinear lattice dynamical equation

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。

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 .

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。

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。

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 .

研究一维分子链中的极化子，考虑了晶格动力学矩阵非对角元对声子Hamiltonian的贡献，得出与原有文献形式不同的极化子解。

The polarons in an one-dimensional molecular chain was investigated taking into account the contribution of the nondiagonal elements in the lattice dynamical matrix to the phonon Hamiltonian , and a new polaron solution was obtained .

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。

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 .

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。

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 .

晶格动力学模拟振动谱和实验谱的分析可知填充分子与晶格结构的相互作用主要体现在低频段特别是声学段（0-15meV）耦合，这会对晶格的散射机制从而对热力学性质产生一定的影响。

Both experimental and calculated vibrational spectra show that the vibrational coupling between guest and host occurs mainly in low-energy band , especially acoustic band ( 0-15meV ), which may be responsible for the anomalous thermal conductivity .

纳米晶体线的晶格动力学格林函数及晶格振动

Lattice dynamics green 's functions and lattice vibrations of crystal nano-wires

非刚性分子晶格动力学的对称性质

Symmetry Properties of the Lattice Dynamics of Nonrigid Molecular Crystals

单壁氮化硼纳米管的结构、对称性和晶格动力学

Structure , Symmetry and Lattice Dynamics of Single Wall Boron Nitride Nanotubes

四方相钛酸钡晶体的晶格动力学

Lattice Dynamics of Barium Titanate Crystal in the Tetragonal Phase

碳纳米管的结构、对称性及晶格动力学

Structure , Symmetry and Lattice Dynamics of Carbon Nanotubes

石墨带的晶格动力学和第一性原理研究

Lattice Dynamics and First Principle Study of Graphene Nanoribbons

B2FeAl合金晶格动力学的嵌入原子模型计算

Lattice Dynamics Study of B2 FeAl Alloy by Using the Embedded Atom Method

位移型无公度相的场论描叙三维晶体位移相变的大振幅晶格动力学模型

A large amplitude lattice dynamics model of the three dimensional crystal displacive phase transitions

晶格动力学中的波矢表象

The Wave Vector Representations in Lattice Dynamics

有限晶格动力学数字计算

The theoretical computation in 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；

The method of symmetric coordinates in molecular theory is extended to finite lattice dynamics .

有限晶格动力学中的自对称坐标

Self symmetric Coordinates in Finite Lattice Dynamics

铝热力学特性的晶格动力学研究

Thermodynamics properties and lattice dynamics of Aluminum

笼型水合物的晶格动力学模拟

Lattice Dynamical Simulation of Clathrate Hydrates

氢掺杂单层石墨体系的晶格动力学研究

Lattice dynamics of hydrogen-substituted graphene systems

原子链中的非线性晶格动力学

Nonlinear lattice dynamics of atomic chains

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 study on the carbon nanotubes lattice dynamics can supply information about tube structure and chirality .

目前这些材料的晶格动力学性质是理论和实验研究的热门课题。

At present , the field is very active and of interest in theoretical and experimental studies .