原子格

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。

Then we deeply studied the completeness of LP . Consequently, we established:(1) The completeness theorem of LP with truth-value in finite Lukasiewiczchain;(2) The completeness theorem of LP with truth-value in complete and atomic lattice implication algebras;(3) The completeness theorem of LP with truth-value in injective lattice implication algebras.

建立了：（1）基于Lukasiewicz有限链的格值命题逻辑系统LP的完备性定理；（2）基于完备的且原子的格蕴涵代数的格值命题逻辑系统LP的完备性定理；（3）基于内射的格蕴涵代数的格值命题逻辑系统LP的完备性定理。

The filled skutterudite compound possesses bcc structure as evidenced by electron diffraction analysis. Powder X-ray diffraction data of filled skutterudite samples were characterized by Rietveld method for some crystallographic parameters such as lattice constant, atomic occupation, atomic position, etc.

另外，通过对化合物电子衍射的分析证实了〓化合物是一种具有bcc结构的化合物；运用Rietveld方法对填充skutterudite化合物X衍射谱线进行了分析，对化合物的晶格常数、原子位置的占有率以及原子位置坐标等晶体学参数进行了表征。

Additionally, there was new AES that may be a transition form of hybridism of carbon atom. It is concluded that carbon atom of graphite changes from sp^2 π to sp^3 through "metal catalyst layer", and deposits on the surface of diamond.

结果表明高温高压条件下石墨中碳原子经过"金属催化剂层"才能将碳原子的电子构形从SP^2π态改变成SP^3态，碳原子从而以金刚石四面体结构沉积到金刚石表面，金刚石晶格结构的形成是在金刚石表面层完成的。

Molecular dynamics simulation was carried out to study transformation pseudoelasticity in NiAl alloy with a initial B2 structure, using EAM type interatomic potential for NiAl.

利用NiAl合金的嵌入原子势，进行了B2结构NiAl单晶中相变伪弹性的分子动力学模拟模拟过程中系统的径向分布函数和键连线原子分布图的变化表明，在外加拉应力的作用下，B2结构的奥氏体向L10结构的马氏体转变，马氏体在长大过程中发生了变体间的转化与合并，不同取向的变体之间由于自协调效应形成共格的孪晶界面。

According to these results, it is considered that in the matrix of gray cast iron nitrogen solid-solubilizes as interstitial atom in the octahedron interstice of ferrite and cementite which is not occupied by carbon atom, and causes the crystal lattice of ferrite and cementite to distort, so that the micro-hardness of the matrix increases.

依据这一实验结果，作者认为，在灰铸铁基体组织中，氮以间隙原子的方式固溶在铁素体和渗碳体中未被碳原子占据的八面体间隙里，造成铁素体和渗碳体晶格畸变，从而提高了基体组织的显微硬度。

The result also indicated that variation in atomic neighbour distance with concentration is about 40 percent and 20 percent, respectively, for ionic bond and covelent bond solid solutions, compared with that expected by the near neighbour vegard's law, while in the metallic bond solid solutions, this exceeds 50 percent, even reaches 80 percent 〓 so.

用虚晶格近似模型来描述固溶体中的原子近邻结构是不恰当的，然而原子近邻距的加权平均却与VCA值一致，这说明固溶体晶胞参数随成分的变化规律是由原子近邻距随成分的变化规律所决定的。

According to the VESs analysis, the intrinsic brittleness of Fe〓Al is due to less lattice electrons, bondcomplex distribution heterogeneity, hydrogen-induced embrittlement, and the difficulty in recovery of the lattice symmetry, while various alloying elements have strengthening and toughening effects through altering the VES parameters.

运用固体与分子经验电子理论建立起Fe〓Al合金各相的价电子结构，在计算中，首次尝试利用TFD模型确定Fe〓Al的原子杂阶，针对不完全有序的B2-Fe〓Al提出"局部平均原子模型"，对Fe〓Al的室温脆性从电子理论上进行了系统的阐述，认为较少的晶格电子、键络分布不均匀、氢致脆性和难以恢复晶体的对称性使Fe〓Al具有本质脆性，合金化元素可以在一定程度上改变价电子结构参数而改善强度和韧性。

It is shown that the electron density of each lattice point is the same although the electron state density varies with the lattice point.And the chemical potential is equal to the atomic energy level as well.

计算结果表明，虽然各态的电子态密度随格点位置变化而变化，但在任意温度情形下，各格点处的电子密度是相同的，纳米晶体颗粒电子的化学势等于格点原子能级。

A layer of tin atoms on a germanium surface forms a flat lattice, but at temperatures below about 150 Kelvin--for reasons that aren't entirely clear--the tin layer spontaneously corrugates to form a new structure, or phase, with one atom out of every three moving away from the substrate.

一层锡原子在锗表面可以形成一个平整的晶格，但是当温度低于150K锡原子层会自发的褶皱起来形成一种新的结构，或者说是新相，这时每三个原子中会有一个运动而离开基质表面。

This one mode pays close attention to network credence foundation of the businessman very much.

这一模式非常关注商人的网络信用基础。

Cell morphology of bacterial ghost of Pasteurella multocida was observed by scanning electron microscopy and inactivation ratio was estimated by CFU analysi.

扫描电镜观察多杀性巴氏杆菌细菌幽灵和菌落形成单位评价遗传灭活率。