共查询到19条相似文献,搜索用时 71 毫秒
1.
2.
本文论述了应用lotus 123软件确定立方晶系Miller指数的方法.这个方法具有简单、直观、迅速、精度高等特点,而且同时也确定出晶格常数α值。对于晶系的确定也具有一定的指导意义。 相似文献
3.
晶列和昌面的指数与坐标系的选择有关.以布喇菲晶胞基矢为坐标系时,晶面密勒指数记为(hkl)[1],立方晶系的晶列指数记为[hkl];以初基原胞基矢为坐标系时,晶面指数记为(h1h2h3),而晶列指数记为[l1l2l3][2].坐标系不同,同一晶面族的晶面指数和密勒指数一股都不相同.晶列的情况也是如此.本文仅就体心立方和面心立方点阵的两套指数的转换关系加以讨论. 体心立方和面心立方的晶胞基矢a,b,c与初基原胞基矢a1,a2和a3的习惯选取方法如图1所示.山图1不难求出两套丛矢间的转换关系. 对于体心立方点阵, 对于面心立方点阵, 倒格基矢的转换也有类似的结果,… 相似文献
4.
5.
6.
利用平面波密度泛函理论研究了ZnSe从闪锌矿结构到盐石结构的相变.结果发现通过H相等得到的相变压力为16.8 GPa,与通过高压弹性常数值判断所得到的结果相符. 相似文献
7.
本文给出了物态方程可由实验测定的二阶弹性常数(SOEC),三阶弹性常数(TOEC)和四阶弹性常数(FOEC)表述。 相似文献
8.
9.
测量三阶弹性常数的非线性声学方法 总被引:1,自引:0,他引:1
三阶弹性常数反映了固体弹性在二级近似下的非线性性质,它在固体物理和材料特性的确认和评估中起着重要作用。着重介绍了测量三阶弹性常数的超声二次谐波激发方法。 相似文献
10.
11.
通过赝势平面波法(CASTEP)及全电势线性缀加平面波法(FLAPW),以bcc-Fe为对象,研究第一性原理计算立方结构Fe基磁性材料弹性系数的方法,分析影响计算立方结构Fe基磁性材料弹性系数准确度的各项因素. 结果表明,在第一性原理弹性系数计算中,晶格常数是决定弹性系数计算准确度的关键因素;势函数的选择也会影响计算准确度. 使用全电势基矢的FLAPW法可以得到更为精准的弹性系数计算结果. 计算得到bcc-Fe的弹性系数C11,C12,C44分别为246 GPa,121 GPa,113 GPa,与实验值基本一致. 利用本方法,计算了新型Fe-Ga磁致伸缩材料的弹性系数C11,C12,C44分别为207 GPa,166 GPa及108 GPa.
关键词:
弹性系数
磁致伸缩材料
赝势平面波法
全电势线性缀加平面波法 相似文献
12.
Certain organic crystals are found to possess high non-linear optical coefficients, often one to two orders of magnitude higher
than those of the well-known inorganic non-linear optical materials. Benzoyl glycine is one such crystal whose optical second-harmonic
generation efficiency is much higher than that of potassium dihydrogen phosphate. Single crystals of benzoyl glycine are grown
by solvent evaporation technique usingN, N-dimethyl formamide as the solvent. All the nine second-order elastic stiffness constants of this orthorhombic crystal are
determined from ultrasonic wave velocity measurements employing the pulse echo overlap technique. The anisotropy of elastic
wave propagation in this crystal is demonstrated by plotting the phase velocity, slowness, Young’s modulus and linear compressibility
surfaces along symmetry planes. The volume compressibility, bulk modulus and relevant Poisson’s ratios are also determined.
Variation of the diagonal elastic stiffness constants with temperature over a limited range are measured and reported. 相似文献
13.
The bulk and the surface-like elastic constants of a nematic liquid crystal are calculated for an ensemble of particles interacting via anisotropic dispersion forces using the pseudo-molecular method. The geometrical anisotropy of the molecules is also taken into account in the calculations by choosing a molecular volume of ellipsoidal shape. Analytical expressions for the elastic constants are obtained as a function of the eccentricity in the molecular volume shape. The method allows one to explore the dependence on the molecular orientation with respect to the intermolecular vector by analyzing the magnitude and the behaviour of macroscopic elastic parameters defining the nematic phase. 相似文献
14.
The transition metal pair potential (TMPP) is used to study band structure energy of Rh and Ir. Both metals are found to be
most stable in fcc structure down to atomic volume 0.5V
0. The pressure at 0.5V
0 is found to be 5.235 Mbar and 9.216 Mbar in Rh and Ir, respectively. The TMPP is also used to study other properties of these
metals like cohesive energy, phonon frequencies at observed volume. The bulk moduli and elastic constants of these metals
at observed volume are calculated by including the volume contribution. 相似文献
15.
Four bulk polycrystalline samples of gold were subjected to different polishing treatments using diamond pastes of grain size 10, 6, 3 and 1 μm. The effect of surface roughness on the optical constants n and k is studied by 45° angle-of-incidence ellipsometry at 632.8 nm. Results for n and k are extrapolated to the case of an ideal surface which we believe to be highly representative of gold. Comparison with published results for the optical constants of gold thin films is presented. 相似文献
16.
H.M. Ledbetter 《Ultrasonics》1985,23(1):9-13
For studying welds ultrasonically, the importance of knowing the material's single-crystal elastic constants, the Cijs, is explained. Where these constants are not known, some guidelines are given for estimating them from polycrystalline elastic constants such as Young's modulus and the shear modulus.The important case of [001] fibre texture is considered. Being transversely isotropic, this case exhibits five macroscopic elastic constants, which are related to the three cubic elastic constants: C11, C12, C44. From these five constants the angular variations of Young's modulus, the torsional modulus, and the sound velocities can be computed. For the same [001] fibre texture, results are given for a standard well-characterized material — copper, where the Cijs are well known. 相似文献
17.
The third-order elastic constants of single crystal GaSb are determined using ultrasonic pulse interferometer at 10 MHz. The
constants at 300°K, in units of 1011 N.m.−2, are Cl11 = ™ 4 ·75 ± 0·06 C144 = + 0·50 ± 0·25 C113 = ™ 3 ·08 ± 0·02 C166 = ™ 2·16 ± 0·13 C123 = ™ 0 ·44 ± 0·29 C456 = ™ 0·25 ± 0·15 These constants are used to evaluate the three anharmonic first and second neighbour force constants based
on modified Keating’s model. The constants are (in units of 1011 N.m−2)γ=− 2·406;δ=0·407;ε=−0·222. 相似文献
18.
An effort has been made for obtaining higher-order elastic constants for MgO starting from basic parameters, viz. nearest-neighbor distance and hardness parameter using Coulomb and Börn-Mayer potentials. These are calculated in a wide temperature range (100–1000 K) and compared with available theoretical and experimental results. 相似文献
19.
Determination of elastic,piezoelectric,and dielectric constants of an R:BaTiO<sub>3</sub> single crystal by Brillouin scattering 下载免费PDF全文
From the sound velocity measured using the Brillouin scattering technique,the elastic,piezoelectric,and dielectric constants of a high-quality monodomain tetragonal Rh:BaTiO3 single crystal are determined at room temperature.The elastic constants are in fairly good agreement with those of the BaTiO3 single crystal,measured previously by Brillouin scattering and the low-frequency equivalent circuit methods.However,their electromechanical properties are significantly different.Based on the sound propagation equations and these results,the directional dependence of the compressional modulus and the shear modulus of Rh:BaTiO3 in the(010) plane is investigated.Some properties of sound propagation and electromechanical coupling in the crystal are discussed. 相似文献