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。

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。

I am accused of being overreligious," she said in her quiet, frank manner,"but that does not prevent me thinking the children very cruel who obstinately commit such suicide.""

客人们在卡罗利娜·埃凯家里，举止就文雅一些，因为卡罗利娜的母亲治家很严厉。

Designed by French fashion house Herm è s, this elegant uniform was manufactured in our home, Hong Kong, and was the first without a hat.

由著名品牌 Herm è s 设计，这件高贵的制服是香港本土制造，是我们第一套不配帽子的制服。