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Calculated structural properties、bulk modulus and elastic constants compare very favorably with experimental data and other first principle calculations.

其中,铀的晶格参数、弹性常数和体模量等与实验及其它第一性原理计算结果十分吻合。

Based on the lattice dynamics with force-constant matrix, we investigated the vibrational properties of GaAs/AlAs superlattice.

主要内容包括:一、采用基于力常数的晶格动力学方法研究了超晶格GaAs/AlAs晶格振动性质。

The influences of the wave vectors off the periodic plane on the distribution of energy bands of triangular,honeycomb and square lattices are analyzed by plane wave method .

利用平面波法分析了由介电常数为13和1的两种介质分别构成圆形柱和背景组成的三角晶格、蜂巢状晶格和正方晶格,波矢偏离周期性平面对它们能带分布及应用的影响。

Thus, the relative error between the theoretical value applied to the rhombohedral phase region and the experimental values must be more error in this region.

根据这两个方程我们得出了PT四方相区介电常数与晶格畸变之间的方程;还研究了PT立方相区介电常数、温度与晶格畸变之间的简单关系。

However the different alkali metal azides RN3 show different reactivity with β-MNCl, and the properties of the products such as superconducting fractions, the lattice constant, and stability against thermal or air, are very dependent on the kinds of alkali metals used.

但是,不同的碱金属叠氮化物具有不同的可反应性,其反应产物也具有不同的性质,例如超导体积百分率、晶格常数、热稳定性和在空气中的稳定性等都和碱金属离子有关。

The results show that, for the elasto-plastic contact of tip-substrate approach and separation process, the material plastic yielding in the atomic level is still governed by the von Mises criterion. For the adhesion of flat-ended wedges, continuum mechanics can be still applied down to a few lattice constants within the contact region, and give reasonable results, apart from the discrepancies near the contact edges. Moreover, adhesion hysteresis occurs during unloading due to the atomic steps, where the unloading curve does not coincide with the loading one. This in turn supports the presumption proposed by Pollock for the adhesion of stepped spheres.

本文首先对针尖—基体模型的弹塑性接触机理进行了深入研究,指出在原子水平上材料的塑性屈服仍由Von Mises准则控制;对平底锥冲头粘着接触的模拟表明,除了在接触区边缘附近有一定差别外,接触力学方法在接触区内几个晶格常数范围内仍能给出令人满意的结果;由于原子台阶效应,加载与卸载曲线不重合,出现粘着滞后,证实了Pollock关于具有纳米阶梯结构的球体粘着滞后现象的推测。

Adding transition metals into the TiN films by arc ion plating (1) The hardnesses of theN films are higher that that of the TiN films, proving that the alloy hardening effect is a common phenomenon;(2) The structures of the alloyed films are determined by the added element properties such as covalent radius, electro negativity, free energy and lattice parameters of the MN compound;(3) theN film consists of a mixture of multi phases with high hardness but quite brittle, while the other MN films are composed of single phase with the fcc TiN structure and their hardesses, functions of the added amounts of the elements, manifest always a maximum at a certain M percentage.

一、将过渡金属M用电弧离子镀方法添加于TiN薄膜中:1。N薄膜硬度均高于TiN薄膜硬度,合金强化效应普遍存在;2。薄膜相结构决定于添加元素M的周期律信息,包括M的共价半径、电负性,及MN化合物的自由能、晶格常数等;3。N为多相混合结构,薄膜硬度高,但韧性差;其它N的相结构为TiN类型的单一fcc结构,薄膜硬度随M添加量变化并出现峰值;4。

The crystalline morphology and lattice constants of silica brick s in several status were investigated by the optic microscope, scanning electron microscope and X-ray diffraction.

利用光学显微镜、扫描电镜和X射线衍射仪研究了几种不同状态硅砖的晶体形貌和晶格常数

As the sacrifice layer was obviated by HF solution, the bilayer will roll up spontaneously by strain release caused by lattice constant mismatch. Through this principle, we can fabricate self-rolled up microtubes.

同时在bilayer的下方成长一层牺牲层,当牺牲层被HF蚀刻去除的同时,bilayer会因为晶格常数不匹配而产生内部strain release的效果,而制作出自发卷曲的微米管。

When above Curie temperature, crystal lattice occurs at the high-resistance layer and the ferroelectric constant decreases quickly. The potential barrier increases because the dielectric constant drops in accordance with the Curie-Weiss Law.

但在居里温度以上时,高阻层发生晶格转变,铁电性消失,介电常数急剧减小,由于介电常数按居里-外斯定律下降,所以势垒随之升高。

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