晶胞

Calculated results showed that in the Ni2MnIn phase, the atomic orbital magnetic moment of Mn dominates the unit cell's magnetic moment, i. e., about 85% of the total magnetic moments of unit cells. The contribution of Ni to the total cell's magnetic moments is about 15%. As to the In atoms, they show a weak diamagnetism in both phases. In particular, the phase transformation of tetragonal martensite results in the decrease in Fermi energy of Ni2MnIn unit cells by 0.495 eV.

计算表明：四方马氏体相变导致Ni2MnIn元胞费米能下降0.495eV；Ni2MnIn结构中，In原子具有弱抗磁性，晶胞磁矩为Mn原子轨道磁矩所主导，约占元胞总轨道磁矩85%，Ni原子轨道磁矩贡献约占元胞总轨道磁矩15%。

The combination energy includes hydrogen bond energy and electrostatic energy of ionic-pair,and contribution of the later is main.

分析晶胞发现每一个晶胞包含四个EM IM+/C l-离子对，测定咪唑环上C2和C l原子的距离为0.355 nm，认为C2-H…C l间形成了氢键。

The quantum chemistry ab initio calculation method and semi-empirical interatomic pair potential were combined, and the crystal cell models of the alloyed Austenite in "the empirical electronic theory for solid states and molecules" were consulted. The cohesive energy information of Fe-C-Me Austenite crystal cell was calculated.

利用量子化学从头计算方法和半经验原子间相互作用对势，并参考"固体与分子经验电子理论"中的合金奥氏体的晶胞模型，计算出Fe-C-Me奥氏体晶胞的结合能信息。

All crystalline structrue has been investigated by XRD, on the basis of which the relationship between dopant dose and lattice constant and the size effect of phase transformation were discussed.

利用XRD研究了掺杂钛酸铅纳米晶的晶体结构，以此为基础讨论了掺杂量与晶格常数变化的关系以及相变的尺寸效应，并研究了掺杂纳米晶的相组成和晶胞参数。

The effect of temperature on the change of lattice parameters is more obvious than that of Cr concentration.

温度变化对晶胞参数的影响强于Cr含量变化对晶胞参数的影响。

The study of the mineralogy indicates:(1)Few impurity and poor sulfur in thestibnite of Shalagang antimony.(2)From the stibnite's cell parameter, it finds that thecell parameter of Shalagang antimony's stibnite approachs the standard value. And iteduces the forming temperature of the stibnite is between 150℃～200℃.(3)Thequartz in different period have different thermoluminescence curve, and thethermoluminescence curves of the quartz in rich ore havethe characters of gently curve, unconspicuous peak and the luminous intensity has therelationship of positive correlation with the temperature.

矿物学研究发现：(1)沙拉岗锑矿床辉锑矿以所含杂质少，贫硫为主要特征；(2)利用晶胞参数测定得出，沙拉岗锑矿床辉锑矿晶胞参数接近于标准值，推算形成温度在150℃～200℃之间；(3)不同期次石英具有明显不同的热释光曲线，其中主成矿期石英的热释光曲线以发光曲线平缓，峰位不明显，发光强度随温度升高而增强为特征。

In addition, molecular orientation behaviors induced by shearing, electric field and magnetic field were investigated. The space group of the monomers A3EO7 and A9EO7 were determined as P2〓2〓2 and P112/m by means of electron diffraction and X-ray diffraction. Liquid crystalline properties of the monomer and the polymer were studied using DSC, variable X-ray diffraction, TEM and polarized optical microscope. Both monomers exhibit monotropic liquid crystalline behavior, and they also give a metastable phase on the cooling process. The polymer PA9EO7 shows enantiotropic liquid crystalline properties. Thus the rigid polymer backbone is not a fatal defect that completely distorts the packing arrangement of the mesogenic moiety in the side chain liquid crystalline polyacetylene.

结合电子衍射倾转方法和粉末X射线衍射技术，确定了两个液晶小分子A3EO7和A9EO7的晶胞参数和空间群，采用Cerius〓模拟软件，运用分子模拟的方法给出了小分子在晶胞中的排列方式；利用DSC、变温X射线衍射技术和透射电子显微镜研究了小分子和聚合物的液晶态，单体A3EO7和A9EO7表现出单向液晶性质，并且在降温过程中都表现出一个亚稳液晶相或亚稳结晶相，聚合物PA9EO7具有双向液晶性；采用偏光显微镜和X射线平板照相技术，研究了剪切和电场对聚合物分子取向的影响，在不同的液晶态，剪切作用对聚合物PA9EO7具有不同的诱导取向结果，直流电场可以诱导聚合物联苯液晶基元沿施加电场方向取向。

The results of XRD indicated that the addition of lanthanum in skutterudite could enhance the formation of skutterudite during the synthesis process. The content of skutterudite increases with the increase of the filling fraction in 〓. The lattice parameter of filled skutterudite increases with the increase of lanthanum filling fraction. It is caused by the deformation of Sb〓 ring arising from the "rattling"of the filling atoms in the voids in skutterudite.

对不同填充率方钴矿La〓Fe〓CoSb〓材料的XRD研究发现，镧元素的引入可以促进方钴矿相的合成，相同条件下合成的方钴矿的纯度随镧填充率的增大而提高，材料的晶胞参数随镧填充率的提高而增大，这是填充原子在方钴矿晶体的的孔隙内震颤和晶胞内Sb〓四边形发生扭曲变形所致。

It was shown by further research that the formed tungsten oxide had an obvious layer-like structure, where from outer to inner layer the valence of tungsten increased and the reduction degree decreased. The carbonization of W depended on the replacement of W atom at the center of the body-centered cubic by C atom and the minor adjustment of C atom position and the lattice parameters.

深入研究表明，氧化钨碳还原颗粒具有明显的层状结构，自外到内钨的化合价递增，还原程度降低；钨的碳化是碳原子替换体心立方钨晶胞的中心钨原子，然后碳原子转换到钨原子点阵间隙再经晶胞常数微调而形成。

In the neutralization transforming process of antimony oxychloride, it will be more convement to form the metastable phase in theory, orth. Sb〓O〓, which stably exist all along in fact.

论文首先通过理论分析与实验研究，揭示了锑白湿法生产工艺中粉末结构形貌控制机理：(1)斜方晶型锑白的单位晶胞内所含分子数比立方晶型锑白少，结构与单斜晶型氯氧锑相似。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。