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It is shown that the mechanical properties including Young's modulus, tensile strength, critical strain and stress under buckling can be enhanced with the decreasing of intershell spacing. The shear strength can be enhanced by 2-3 orders of magnitude when the intershell spacing is reduced to 20%, which is also dependent on commensuration. Zigzag-type carbon nanotubes have higher shear strength. The axial stress in tubes when the load transferring from outmost tube to inner tube is observed as well.

研究了单壁纳米管束横截面的六方化失稳现象,给出各种管径的面内压力-应变关系曲线;每条曲线都给出一个明显的拐点而且有很强的非线性;线弹性模量与参考构形有关,也受管直径的影响;分析了管束横截面的晶格不稳定性特征,表明晶格的缺陷能够明显的减小临界值;模拟了在不同应变下纳米管束对静水压的反应,发现不同压力下的截面形态不同,在很高压力下相邻管之间会形成化学键。

The polarization goes up with the increasing of the long-range interaction, and the polarization of the center site in the lattice is larger than that of the corner site under the same condition.

随着长程相互作用的增强,铁电颗粒的极化强度增大,在相同的条件下,晶格中心点的极化强度总是大于晶格边上的格点的极化强度。

Consisting of the protracting graph of hydrogen-like atom"s angle distributing, computer simulation of the symmetry of molecular orbital and chemical reaction mechanism, showing the molecular point group and symmetry element, computer simulation of molecular vibration, Bravias"s crystal lattice and their transforming, extracting of plane periodic lattice, extracting of solid periodic lattice, close packing of isometrical pellet and the structure of simple mental substance, close packing of unequal pellet and crystal structure of representative ionic crystal, Computer Simulation of Phase Analysis by X-ray Diffraction.

内容包括类氢原子角度分布图的绘制,分子轨道对称性和反应机理的微机模拟,分子点群和对称元素显示,分子振动运动的微机模拟,布拉维晶格和晶格转化,平面点阵抽取,立体点阵抽取,等径网球的密堆积和金属单质结构,不等径圆球密堆积和典型离子晶体结构,X射线多晶衍射的微机模拟十个子模块。

In the surface of the substrate the liquid crystal molecules parallel to the surface as a consequence of the surface potential. Adopting the Lebwohl Lasher model, the mole cular centers of mass are located at the sites of the simple cubic lattice with period boundary conditions.

在基板表面处,液晶薄层受到表面作用势的作用使液晶分子沿面平行排列,采用Lebwohl Lasher模型,将分子质心固定在简单立方晶格的格点上,并对此格点模型赋以周期性边界条件,然后将简立方格点模型分为平行于基板的20个分子薄层,得到各薄层的指向矢分布的数值结果。

For spin-3/2 Isingmodel with transverse crystal field,the tricritical phenomena havebeen observed for the square and simple cubic lattice,but there isno tricritical point for the honeycomb lattice.

横向晶场中自旋为3/2的Ising模型中,对于蜂窝点阵晶格来说,系统相变没有三相点,而正方点阵、简立方点阵晶格却有三相点的存在。

The polarization field E(?=3.2×108 volts/cm, E1∩=3.3×108 volts/cm at a Cl- lattice point, and the polarization energy Up(?=-102K α-TiCl3 sandwich-type layer crystal have been calculated, based upon an ionic model.

本文根据离子晶体模型,计算了α-TiCl_3层状晶体内氯离子格点上的极化电场强度E_⊥=13.2×10~8伏/厘米,E_(11=3.3×10~8伏/厘米,以及晶体的极化能U_(p⊥=-102千卡/克分子,U_(p11)=-167千卡/克分子和晶格能(U=-1206千卡/克分子)。

The biaxial molecules interact via dispersion forces and the molecular centres of mass are located at the sites of a simple cubic lattice.

双轴分子通过色散力作用,使分子质心固定在简单立方晶格的格点上。

There is an allotropic change temperature (1155K) for pure Ti and it is a hydrogen-absorbing metal for different solubility in a-phase titanium and 3-phase titanium. The hydrogen atom dissolves in lattice and occupies tetrahedron interstitial position, and then forms TiH2 sublattice of face-centered cubic.

钛是-种具有同素异型转变点T(1155K)的吸氢金属,氢在α钛和β钛中有不同的溶解度,在T以下易形成具有面心立方晶格结构的TiH2,氢原子溶解在晶格中,占据四面体间隙位。

This stimulates that it becomes more and more interesting and important to study the issue of lattice dynamics with higher anharmonic and long-range interactions.

当计及最近邻格点间的相互作用理论基本成熟后,同时包含高次非谐相互作用和各种长程关联谐振的晶格动力学问题就显得日益重要了。

They modeled continuous space and time as a four-dimensional array of points--the lattice--and confined the quarks to the points and the gluons to the links between them.

他们用一个四维阵列点——也就是晶格——来模拟连续的空间和时间,把夸克限制在点上、把胶子限制在点之间的连接上。

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