自扩散

分子动力学模拟固态Al的自扩散性质

Study of Solid Aluminium Self-diffusion by Molecular Dynamics Simulation

具有表面弛豫的液体自扩散的MonteCarlo模拟

Monte Carlo Simulation of Liquid Self-diffusion with Surface Relaxation

Cu表面弛豫和自扩散机制的修正嵌入原子法模拟

Modified embedded atom method for simulating the multilayer relaxation and self diffusion of copper

自扩散系数和弛豫速率测定的NMR新方法研究

New NMR Methods for Determination of Self-Diffusion Coefficient and Relaxation Times

用分子动力学方法研究Ag（001）表面吸附原子的自扩散现象

A molecular dynamics study of self diffusion on ag ( 100 ) surface

PAN为基凝胶聚合物电解质自扩散系数的NMR研究

NMR studies on self diffusion coefficients of lithium ions in PAN based gel

金属fcc（100）表面吸附原子的自扩散现象

Self-diffusion of adatoms on metal fcc ( 100 ) surfaces

用加脉冲梯度场的NMR自旋回波法测量高分子聚合过程中的自扩散系数

Self-Diffusion Coefficients of Polymer in Polymerization Measured with Pulsed Field-Gradient NMR Spin Echo Methods

应用脉冲梯度场NMR研究脂蛋白的自扩散系数分布

Study of diffusion coefficient distribution of lipoproteins by pulse-field-gradient ( pfg ) - nmr

吸附原子在Ag，Pt，Au（110）表面上的自扩散现象

Self diffusion of adatoms on ag , pt , au ( 110 ) surfaces

带自扩散的N个种群的Lotka-Volterra竞争模型整体解的一致有界性

Uniform Boundedness of Global Solutions to an N-species Lotka-Volterra Competition Model with Self-diffusions

利用添加原子Mo模拟了该大块非晶合金中Nb原子的自扩散过程。

Self-diffusion of Nb in the bulk amorphous alloy is simulated by diffusion of Mo impurity atoms .

从实测数据，用数值法与图解法求得Na~+的自扩散系数D（Na）~。

The Na ~ + self diffusion coefficient D_ ( Na ) ~ , was numerically and graphically evaluated from the measured diffusion profile .

一种新的Lennard-Jones链式流体自扩散系数计算公式

A New Formula of Predicting Self-Diffusion Coefficient of Lennard-Jones Chain Fluid

带自扩散和交错扩散的三种群Lotka-Volterra竞争模型解的一致有界性和稳定性

Uniform Boundedness and Stability of Solutions to the Three-Species Lotka-Volterra Competition Model with Self and Cross-Diffusion

初始晶化的速率控制过程可能是铝自扩散，而第二次晶化过程则受控于溶质原子Ni，Nd和Cu的扩散。

The rate-controlling process of the primary crystallization is self-diffusion of Al atoms and the secondary crystallization is limited by bulk diffusion of the Ni , Nd and Cu solute atoms .

本文研究了EDTA溶液中稀土在大孔树脂内的扩散，用同位素交换法测定了ce，Tb、Yb的有效粒内自扩散系数（De）。

The self - diffusion of RE isotopes in porous cation exchangers with various radius and in several MR-type resins around by EDTA bulk solutions of rare earths was studied .

普遍化的基于LJ流体的自扩散系数预测模型

Generalized predictive self-diffusion coefficient equation based on Lennard-Jones fluid

采用分子动力学（MD）模拟的方法，计算了模型流体氩及氩/氪溶液的自扩散系数和互扩散系数。

Molecular dynamics simulations were carried out for mixtures of Lennard-Jones fluids . Self-diffusion coefficients and mutual diffusion coefficients were obtained for Ar and Ar / Kr mixture .

提出一种可同时直接测量高极化核自旋体系分子间n阶多量子相干横向弛豫时间T2，n和自扩散系数Dn的一维核磁共振方法。

Simultaneous measurements of transverse relaxation time , T_ ( 2 , n ), and self-diffusion coefficient , D_n , of intermolecular multiple quantum coherences ( iMQCs ) were presented for a highly polarized single-component spin system .

对于水（包括超临界水）、醇类和HF等流体在宽广的压力和温度范围内，使用实验数据对本方程进行检验，其自扩散系数的相对平均偏差在7.5%左右。

The equation reproduces the experimental self-diffusion coefficient with average relative error of about 7.5 % for water ( including the super-critical water ), alcohols and hydrogen fluoride over wide ranges of temperature and pressure .

本文采用EAM作用势，通过平衡分子动力学（EMD）模拟的方法计算了Co熔体的自扩散系数、剪切粘度等物理性质。

The equilibrium molecular dynamics ( EMD ) simulation has been performed to calculate physical properties such as self-diffusion coefficient and shear viscosity of Co melt using embedded atom method ( EAM ) .

采用嵌入原子方法的原子间相互作用势，利用准静态分子动力学模拟研究了Cu原子在Cu（001）表面吸附所导致的基体晶格畸变以及对其附近的另一个吸附原子自扩散行为的影响。

Based on the atomic interaction potential with the embedded atom , molecular dynamics simulation was used to study the variation of Cu ( 001 ) surface caused by a Cu adatom and the hopping barriers of another Cu adatom in its vicinity .

由自扩散系数分析得到，SDNS胶束的水合半径约为其单体水合半径的5.3倍。

The hydration radius of SDNS micelle is approximate 5.3 times of that of monomer by NMR diffusion .

采用溶剂自扩散原理从聚L-乳酸（PLLA）/β-磷酸三钙（β-TCP）氯仿液中沉积得到PLLA/β-TCP复合颗粒，研究了不同扩散介质对该过程的影响。

PLLA / β - TCP composite particles were deposited from chloroform solution by using the method of sol - vent self-diffusion , the influence of different diffusion media to this deposit process was studied .

通过对模型溶液的分子动力学模拟，确定了这些溶液的径向分布函数，自扩散系数D1、D2和互扩散系数D12。

Molecular dynamics simulations have been used to determine the radial distribution functions , the self diffusion coefficients D 1 , D 2 and the mutual diffusion coefficient D 12 of model solutions .

扩散排序核磁共振（Diffusion-orderedSpectroscopy，DOSY）目前是测量溶液中样品的自扩散系数D的一个重要方法，在超分子、分子自组装、分子探针、主客体识别等方面的研究中得到广泛应用。

Diffusion-Ordered Spectroscopy NMR ( DOSY-NMR ) is an important method now for the determination of self-diffusion coefficient , which have now been widely used in different areas of supermolecule , molecular self-assembly , molecular probe and host-guest recognition .

自扩散系数随温度增加而增大。

The diffusion coefficients increased linearly with the increase of temperature .

同时还模拟了流体自扩散系数随温度的变化关系。

The relation of diffusion coefficient with temperature has also been simulated .

用渗流理论计算高分子溶液中溶剂的自扩散系数

Calculation of Solvent Self diffusion Coefficient in Polymer Solution by Percolation Theory