查询词典 atom model

In this paper, modified analytical embedded-atom method, combined with heavy-bit lattice model, using MATLAB programming from the atomic-scale calculations and analysis of body-centered cubic metals Fe (001) face to reverse the grain boundary of energy and structure of crystals between the translation and expansion of energy and structure of the system, and with the relevant control experiments were observed.

对材料性能预测、材料改性和新材料设计以及传统材料及其应用有着重要的指导意义。本文采用改进分析型嵌入原子法，结合重位点阵模型，借助MATLAB编程从原子尺度计算和分析了体心立方金属Fe(001)面扭转晶界的能量和结构，探讨了晶体间平移和膨胀对体系能量和结构的影响，并与相关实验观察进行了对照。

In this thesis, the effect of vacancy concentration on elastic properties of aluminum under high pressures (from–15 GPa to 20 GPa) is studied by means of MD simulation. The embedded-atom model is employed to describe inter-atomic interaction in face-centered cubic aluminum.

本论文运用分子动力学方法，采用嵌入原子模型描述原子之间的相互作用势，在0-15GPa压强范围，对面心立方结构金属铝中空位密度对其弹性性质的影响进行了计算模拟。

In this paper we propose a one-dimensional muonic atom model, on which the time-dependent Schrdinger equation is numerically solved by Crank-Nicholson method.

本文提出了一个一维μ介子原子模型，用数值积分方法求解了在超强激光场作用下该模型原子的含时Schrdinger方程，得到了它的高次谐波发射谱。

HHG, the muonic model atom, the double-color field

μ介子原子模型，相干-射线发射，双色场

Based on density functional theory and electronegativity equalization principle,applying an atom-bond electronegativity equalization σπ model,using a separated program,we calculated the charge distributions and dipole moments of guanine tautomers.

以密度泛函和电负性均衡原理为基础发展的原子-键电负性均衡方法的σπ模型。并结合自编程序，计算了鸟嘌呤五种异构体的电荷分布和偶极矩，计算结果表明，所计算出的电荷分布可以和从头算结果很好地关联。所计算的偶极矩与其它从头计算方法和力场方法相比总体趋势相同，进一步说明了ABEEMσπ模型的合理性

One has put forward mechanical model ,which is used to analyze joint energy,atom transition of matter of medium layer, diffusion and solid solution,by means of energy theory of quasi-continuous body.

该方法减少了TIP技术的限制，扩展了其适应性。实验结果表明，本文提出的算法是有效的，具有实际应用价值。

Combining the mechanism of oxygen diffusion with the block model in YBCO, the mechanism of the phase transitions can he explained as follows: the phase transition at 400℃ comes directly from O(1) in the rock salt block, and corresponds to the beginning of O-T; the phase transition at 850℃ corresponds to the end of O-T, when O(2) and O(3) of Cu(2)-O plain are rearranged and a few oxygen enter O(1) site of Cu(1)-O plain through O(4) bridge atom, and at last escape from the crystal cell. Thus the phase transition at 850℃ is related with the pervoskite block.

结合YBCO中氧扩散机制和块模型，相变机理解释如下：400℃的相变直接来自于岩盐块，对应于正交－四方转变的起点；850℃相变对应于正交－四方转变的终点，此时Cu(2)-O面中的O(2)和O(3)重排，一些O通过O(4)桥原子进入O(1)位，最后逸出晶胞，因而850℃相变与钙钛矿关系密切。

In this paper, using the model, the numbers of residual bond and short-range order atom of Al and Ni melts were calculated. The calculated results are consistent with the test results.

利用所建立模型计算了铝、镍熔体的剩余键数和近程有序原子数，计算结果与试验值吻合较好。

Thirdly,in virtue of Markov theory,we get the herd coefficient matrix from Markov change probability matrix and construct the CA-Markov composite Model and get some characteristics of the CA-Markov composite Model Finally,we do simulations and sort for Xinjian County by using the Markov Model and the CA-Markov composite Model, respectively and analyze and compare the simulation results abortively.

然后，借鉴马尔科夫理论，采用转移概率矩阵估计从众系数矩阵，构建出CA-Markov复合模型，并研究了相关的性质。

In rough sets based on accessible relation, we merge rough set theory and accessible relation into one model. Compared with classical rough set models(including Pawlak rough set model and various precise rough set model), the new model is more general.

基于可达关系的粗糙集模型是将可达关系应用于粗糙集理论中，这种模型比传统的粗糙集模型(Pawlak模型和可变精度粗糙集模型)更一般，将粗糙集理论推广到一般的方法论。

Molecular Distillation is a kind of high vacuum distillation method, which is suitable for the separation of high boiling, heat sensitivity and viscidity products.

分子蒸馏技术是一种在高真空条件下进行的连续蒸馏过程，适合于分离高沸点、热敏性及具有生物活性的混合物。

They are to the Noughties what yuppies were to the Eighties .

那在六十年代是时髦的，但在八十年代肯定是过时了