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The new model introduces a modified term M , which includes the contribution to total energy from the angular distribution of an atomic electronic density, and can fit the negative Cauchy pressure of such as Cr.

本文导出了一个普适分析型嵌入原子模型,该模型引进了一个描述原子电子密度分布的非球对称部分对系统总能量贡献的修正项M,它能正确拟合具有。。。

There exist negative correlations between the ionic porosity, which is a measure of atomic packing density in minerals, and Ar and H diffusion activation energies. Thus ionic porosity can be used to predict element diffusion coefficients.

孔隙度作为矿物内部离子堆积密度的一种量度,它与Ar和H的扩散活化能之间存在负的线性相关性,因而可以用于预测元素在矿物中的扩散系数。

In study of ICF, polystyrene hollow micro-spheres are one of the most important targets because of its low density and atomic number.

在ICF 靶丸研究中,PS空心微球是主要的靶型之一,由于PS 靶具有低密度、低原子序数,可以降低辐射驱动内爆实验过程中燃料预热及流体力学不稳定性,提高实验效率,并且有利于实验过程中诊断,所以PS 靶愈来愈受到重视并很快得以发展。

The results show that for collectors of the same kind, their selectivity is in linear relationship with HOMO energy and can be predicted well. For collectors of different kinds, it can be concluded from shape of HOMO and atomic HOMO density that the selectivity of ethoxycarbonyl thionocarbamates is better than the one of xanthogen formates.

结果表明:对于同种类型的捕收剂,其选择性与HOMO能量呈线性关系,依据HOMO能量能较准确地预测这两种捕收剂的选择性能;对于不同种类的捕收剂,通过对HOMO形状以及组成原子的HOMO密度的讨论可知,乙氧羰基硫氨酯类捕收剂的选择性能要比黄原酸甲酸酯类捕收剂的强。

We have discussed the changes of spin density and atomic charge on B-site as the crystal parameters are individually expanded or compressed from 0.02% to 0.2%(and, from 0.5%~5.5%).

单晶格及双晶格的计算中,虽然随著晶格膨胀或压缩的维度的增加,Mn中的电子自旋密度和原子电荷的变化均趋缓,但整体而言电子自旋密度仍然受到晶格参数的高度影响。

With more mass than the Sun and the density of an atomic nucleus, the spinning pulsar is the collapsed core of a massive star that exploded, while the nebula is the expanding remnant of the star's outer layers.

中心的脉冲星是由大质量恒星塌缩形成的,它的质量比太阳要大而密度和原子核差不多,而星云则是由恒星外层膨胀所形成的。

It can be seen that the bulk modulus depends mainly on electrons per atomic volume and mass density, while covalent structure of chemical bonding and N content make more contribution to theoretical hardness, and appropriate content N—N covalent bonding in the same direction tends to increase the shear modulus of nitrides.

说明在Tc的氮化物中,其体弹模量与材料的晶体结构、平均每个原子上的电荷密度和材料的质量密度有关;化学键的共价性结构和氮元素的含量对理论计算硬度有正作用;而剪切模量的极大值则与其层状结构及体系中一定量的方向基本一致的N—N键相关。

In our study on the quantitative Auger analysis three main matrix effects, the escape depth λ, atomic density n and the backscattering factor R, which is the most important matrix parameter, are considered.

本文对信息深度范围内可视作均匀的多元合金,提出一种新的定量俄歇分析方法。

Nucleon density distribution is one of the most important characters of an atomic nucleus.

核子密度分布是原子核的一个重要性质。

According to the principle of continuity of wave function, when different elements react with each other to form compound, the electronic densities of atoms at interface must be equal. Each atom should change the atomic radius to shift their electrical density, then this made huge micro-stress in atoms.

在单质元素原子形成化合物时,由于要满足量子力学的波函数连续原理,要求原子界面上的电子密度相等,各原子在化合时必须通过改变原子半径以达到相同的原子边界电子密度,从而在原子中产生了很大的微观内应力。

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