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 nonlinear lattice dynamics and an expression of nonlinear macroscopic polarization are derived in terms of optic phonon modes.
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.
基于密度泛函微扰理论(DFPT)结合模守恒赝势方法进行晶格动力学模拟。
Based on density functional perturbation theory (DFPT) and combined with the norm-conserving pseudopotential method, the lattice dynamic simulation is presented.
文章介绍了自由边界晶格动力学方法，并给出由该方法所得到的一些有意义的结果。
This paper introduces the method of lattice dynamics in free boundary and presents some significant results obtained.
将微观弹性应变能理论和微观扩散方程相耦合，建立起时效过程微观晶格动力学模型。
The microscopic lattice kinetic model of aging process was build, using the coupling of the theory of microscopic elastic energy and microscopic diffusion equation.
结果表明，红外吸收光谱包含有碳纳米管的许多信息，是研究其晶格动力学的有效方法。
The results show that the infrared absorption spectra contains much information of carbon nanotubes, and is an effective method of studying the lattice dynamics of carbon nanotubes.
本文应用分子动力学模拟方法，讨论了NVE系综中不同初始晶格类型对模拟系统平衡温度和截断半径对模拟系统平衡总能的影响。
The effects of initial different crystal lattice of simulated system on balance temperature and cut-off radius on total balance energy were discussed in NVE ensemble by molecular dynamics simulation.
结果表明，与四方晶格材料不同，空穴型掺杂双层三角晶格反铁磁体积分自旋动力学不具有普适行为。
It is shown that unlike square antiferromagnets, the integrated spin dynamics of the hole doped bilayer triangular lattice does not show particularly universal behaviors.
对单外延层结构材料、量子阱结构材料、含超晶格结构材料等，分别应用动力学理论和运动学理论作了对比分析。
We have analyzed the single layer material, quantum well material and material comprise of superlattice by using kinematics and dynamics in a comparative way.
在一维量子非线性晶格的研究中，特别是动力学的研究中，求解多粒子体系的含时薛定谔方程是不可避免的。
In the study of 1d quantum nonlinear lattices, especially in the study of dynamics, it is unavoidable to solve the many-body time-dependent Schrodinger equation.
在一维量子非线性晶格的研究中，特别是动力学的研究中，求解多粒子体系的含时薛定谔方程是不可避免的。
In the study of 1d quantum nonlinear lattices, especially in the study of dynamics, it is unavoidable to solve the many-body time-dependent Schrodinger equation.
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