原子晶格

The results show: the strongest bond is the Al-Al bond in the segregated cell without containing vacancy, where the Al atomic covalence radius is greater than that of Li atom in the cell; while the strongest bond is the Al-Li bond in the segregated cell containing vacancy, and the Al atomic covalence radius in the cell is less than that of Li atom. Since the difference of electronagativity between the Al and Li atoms is obvious, it is inclined to formed the Al-Li segregated cell of short range order structure in the condition of vacancy present. The short range order structure containing vacancy is probably the embryo or precursor structure of the metastable phase δ′(Al3Li). Because the strongest covalent bond in the Al-Li-vacancy segregated cell in alloy formed in quenching is the main strength reason for supersaturated solid solution of alloy. The bond net of succeeding precipitation of δ′(Al3Li) has the picture of anisotropic Al-Al bonding and the bond intensity enhanced. Since the δ′(Al3Li) is coherence with matrix, the bond net strength is enhanced by the precipitation of δ′(Al3Li) and so strengthen the alloy.

计算结果表明：不包含空位的偏聚晶胞的键络最强键为Al—Al键，其中Al原子的共价半径较Li原子的共价半径要大；而含空位的偏聚晶胞的最强键为Al—Li键， Al原子的共价半径要比Li原子的共价半径要小；在空位存在的情况下，由于Al原子与Li原子的电负性相差明显，促使Al和Li原子结合，倾向形成Al-Li短程序结构偏聚区，这种含空位的短程序结构很可能就是δ′(Al3Li)亚稳相的前兆结构和生长胚胎；由于Al-Li-空位有序偏聚晶胞的Al—Li键络比基体键络要强许多，因此，淬火过程中合金生成的Al-Li-空位偏聚晶胞对合金过饱和固溶体起主要强化作用；后续析出的δ′(Al3Li)亚稳相键络各项异性显著，键络强度明显提高；由于Al3Li与基体共格，其大量均匀弥散析出起到提升基体整体键络强度，同样对合金产生强化作用。

The results show: the strongest bond is the Al-Al bond in the segregated cell without containing vacancy, where the Al atomic covalence radius is greater than that of Li atom in the cell; while the strongest bond is the Al-Li bond in the segregated cell containing vacancy, and the Al atomic covalence radius in the cell is less than that of Li atom. Since the difference of electronagativity between the Al and Li atoms is obvious, it is inclined to formed the Al-Li segregated cell of short range order structure in the condition of vacancy present. The short range order structure containing vacancy is probably the embryo or precursor structure of the metastable phase δ'(Al3Li). Because the strongest covalent bond in the Al-Li-vacancy segregated cell in alloy formed in quenching is the main strength reason for supersaturated solid solution of alloy. The bond net of succeeding precipitation of δ'(Al3Li) has the picture of anisotropic Al-Al bonding and the bond intensity enhanced. Since the δ'(Al3Li) is coherence with matrix, the bond net strength is enhanced by the precipitation of δ'(Al3Li) and so strengthen the alloy.

计算结果表明：不包含空位的偏聚晶胞的键络最强键为Al-Al键，其中Al原子的共价半径较Li原子的共价半径要大；而含空位的偏聚晶胞的最强键为Al-Li键，Al原子的共价半径要比Li原子的共价半径要小；在空位存在的情况下，由於Al原子与Li原子的电负性相差明显，促使Al和Li原子结合，倾向形成Al-Li短程序结构偏聚区，这种含空位的短程序结构很可能就是δ'(Al3Li)亚稳相的前兆结构和生长胚胎；由於Al-Li-空位有序偏聚晶胞的Al-Li键络比基体键络要强许多，因此，淬火过程中合金生成的Al-Li-空位偏聚晶胞对合金过饱和固溶体起主要强化作用；后续析出的δ'(Al3Li)亚稳相键络各项异性显著，键络强度明显提高；由於Al3Li与基体共格，其大量均匀弥散析出起到提升基体整体键络强度，同样对合金产生强化作用。

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。

Through cyclic hydrogen bonding with motif formed by coordinated water molecules and coordinated hydroxyl groups of dhbd from adjacent tetranuclear units, these adjacent neighbors are connected to afford a 1D supramolecular chain along axis a, which is further extended via aromatic intercalations and other crystallization water molecules into a 3D structure with channels.

毗邻的四核单元通过配位H2O分子和配位羟基O原子形成的 R 22(8)型环形氢键桥的连接，沿a轴方向构建了四核单元交替相连的一维超分子链；链间籍苯环的π-π堆积作用和晶格水分子氢键链的连接进一步扩展为具有隧道的三维结构。

ABSTRACT In order to study the thermally activated characteristics of plastic deformation and the effect of alloying element on the thermal activation of structural steels, the properties of plastic deformation for 20g and 13Ni3CrMoV steels have been examined in the temperature of 77—473K and strain rate of 〓. The experimental phenomena show that the effective stress of plastic deformation decreases with the increase of alloying elements content (namely solute solution softening) and the frequency factor deceases with the increase of effective stress.

本文以13Ni3CrMoV钢焊接结构的动态断裂破坏为背景，通过系统测试20g和13Ni3CrMoV钢的动态屈服特性，分析比较了结构钢的形变热激活特点，从频率因子〓随有效应力σ〓增大而下降和合金固溶软化的实验现象出发，在位错以弯折方式克服晶格Peierls位垒的基础上，提出了溶质原子与螺型位错热激活弯折相互作用的物理模型和σ〓-T分段线性关系的形变热激活理论假设，并借助计算机数值模拟，分析探讨了合金固溶软化的微观机制。

What makes minerals special is the way that the atoms of those elements are arranged in lattices which create unique crystalline structures and shapes.

矿物质的特别之处是那些矿物质的原子是按晶格结构排列，这就形成了其独特的水晶结构与形状。

The results show that the alloying element Al mainly exists in the Cr site in the NbCr2 Laves phase.

结果表明：合金元素Al主要占据了Laves相NbCr2金属间化合物中Cr原子的晶格位置。

The low temperature buffer layer was epitaxied on the Si substrate at the temperature of 300°C. Non-finite ZnO was grown on the substrate due to the low temperature at which the Zn and O atoms is easy to be absorbed on the substrata, which could relaxed effectively the effects of the lattice mismatch between the substrate and ZnO thin films on the quality of the ZnO films and could reduce the formation of distortion and defects.

在 300℃温度下生长了一层 ZnO 薄膜，由于生长温度较低 Zn、O 原子容易被吸附到衬底的表面导致非定形的 ZnO 的生长，有效减缓了衬底与 ZnO 之间的晶格失配带来的影响，降低了失配位错和缺陷的产生。

Usually the model is given by the foregone atomic structure or crystallattice, however it can not make sure that every atom in the model is in equilibrium state.

纳米尺度下材料模型的建立一般是根据已知材料的原子排列或晶格结构直接给定，这并不能保证模型中所有粒子处于平衡状态。

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。