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With the prolongation of milling time, the crystal size of mixed the powder reduced, while its lattice constant and lattice distortion increased gradually.

随着机械合金化的进行,粉末的晶粒度逐渐减小,而晶格常数和畸变则不断增加。

The structure of polarimeter is different from the traditional polarimeter. Changing the ratio of R/a between the radius of the metal stick and the lattice constant can design the working wave band in advance and obtain high degree of polarization and transmission rate.

本发明提供的偏振器结构不同于传统的偏振器,它可以通过只改变金属棒的半径和晶格常数R/a的比,预先设计工作波段,并且可以得到高的偏振度和透射率。

The formation of martensite is accomplished by the immigration of well-defined glissile interface (121)fcc type and its misfit dislocations can produce the lattice invariant deformation on the basis of phenomenal theory of martensitic crystallography, however, LID is retarded slightly after the migration of interphase (121)fcc, i.e.a thin plate-like zone exists without LID in martensite near the well-defined interface. When the temperature reduces to the Ms point, the lattice parameter of austenite matrix is √3/2 times that of the martensite without LID. This critical condition for spontaneous transformation agrees with that the stack fault energy in matrix is less than zero according to Olson and Cohen's nucleation model.

通过模型分析表明:fcc/bcc马氏体形核与长大过程是通过(121)fcc型择优界面推移进行的,界面上的错配位错可以完成马氏体晶体学唯象理论要求的点阵不变变形,但LID要稍滞后于界面迁移,即在马氏体形核与长大过程中推移界面新相一侧存在一未发生LID的新相薄区;当相变温度达到马氏体相变点Ms时,母相奥氏体与这一薄区的晶格常数比为√3/2,这一几何条件和Olson-Cohen形核模型中要求扩展位错层错区界面能γ≤0是等价的。

When M gradually shifts to Ni from Co, the binding energies of Lils and Co2p decreased and the binding energy of Ni2p increased.

当M由Co逐渐变成Ni时,Lils的结合能降低,Co2p的结合能也降低,Ni2p的结合能增加;晶格常数a和c值增大,而c/a值反而减少。

The universal formulases of a average internal energy of atom in metal and the two different kinds of metal atomic interaction potential have been derived by applying to the classical concept of the metalic structure and concerning the Gauss type ball symmetry of the around electronic density of atomic nucleus.

本文介绍了亚稳态Fe50Cu50固溶体晶格常数的测量结果,应用金属结构的经典概念并考虑到原子核周围电子密度的高斯型球对称分布,导出了计算金属中一个原子的平均内能和两种不同金属原子相互作用势的普遍公式。

Crystal lattice constants are close to other experiment results. Three kinds of chemical bonds exist among Mg and B atoms, between magnesium and boride is ionic bond and metallic bond is the predominant interaction in the layer formed by magnesium atoms. A strong covalent bond in the form of sp2 hybrid between boride atoms is the most important factors which can affect the transition temperature of MgB2. Population analysis clearly shows that electrons are transferred from Mg to B, as a result, the electron-phonon coupling in the layer of B is very strong.

规范保守赝势的计算结果表明,晶格常数与实验值误差在很小的范围内,分析了引起MgB2(001)面结构超导转变时电子浓度和偏态密度的变化情况,发现构成该超导体结构的成键有3种,着重从结构的电子浓度变化分析了其超导特性,六角蜂窝状结构中硼原子间相互作用为sp2杂化的共价键,镁原子和硼原子之间是离子键结合,镁原子层是金属键结合,镁原子的价电子部分转移到硼原子的pz轨道,部分电子为镁原子层共用。

It is also found that if the monatomic model of Johnson is used the pair potential constructed by the former method can give correct heats of solution.

发现如果采用第三章的模型作为单种原子的埋入原子法模型,则由前者构造的合金对势V〓不能给出正确的溶解热,而由后者构造的合金对势V〓却能给出基本正确的超结构的晶格常数、体模量和结合能。

For example, it is stall need to study the thermal equation-of-state, to find a proper methodology for calculating self-diffusivity, to propose a better potential model for mullite and sillimanite, to calculate mechanical properties at high temperature, and to analyze the structural transformation at high temperature.

本研究所建立的研究方法与流程适合应用在陶瓷材料的模拟与分析,而我们已经探讨了莫来石的缺陷对晶体结构、晶格常数、热膨胀、体模数、缺陷能、氧扩散的影响,接下来可以朝向以下几点深入研究,包含研究热状态方程式、找出最适当的方法来计算扩散系数、提出更好的分子势能模型、研究莫来石在高温下的相变化与力学性质。

The effect of C content on the microstructure and the morphology of TiC has also been studied.

对TiC晶格常数的计算结果表明,TiC的衍射峰存在一定的偏移,主要是由于TiC 中存在C空位。

As a initial example, the valence electron structures of α-fe,α-Cr, and Fe alloys with various Cr contents are established.

作为例子,建立了α-Fe,α-Cr和不同Cr含量Fe合金的价电子结构,并对晶格常数和磁矩的实验结果给出了满意的价电子结构分析。

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