Combining Brillouin spectroscopy and laser-SAW technique for elastic property characterization of thick DLC films

Surface Brillouin spectroscopy (SBS) has been widely used for elastic property characterization of thin films. For films thicker than 500 nm, however, the wavelength of surface acoustic wave in the frequency range available for SBS is smaller than film thickness, and the SBS measures only the Rayleigh wave of the film. The laser-SAW technique, on the other hand, measures only the low-frequency portion of the surface acoustic wave dispersion and can estimate only one elastic modulus of the film (typically Young's modulus). In this work, we have combined the two methods to determine both Young's modulus and Poisson's ratio of a diamond-like carbon (DLC) film. It was found that reasonable estimates can be obtained for the longitudinal wave velocity, shear wave velocity, and Young's modulus of the film. The Poisson's ratio, however, still has a relatively large measurement error.     

Theoretics-directed effect of copper or aluminum content on the ductility characteristics of Al-based(Al_3Ti,AlTi,AlCu,AlTiCu_2)intermetallic compounds

First-principle simulations have been applied to investigate the effect of copper(Cu) or aluminum(Al) content on the ductility of Al_3Ti,AlTi,AlCu,and AlTiCu_2 alloys.The mechanical stable and elastic properties of Al-based intermetallic compounds are researched by density functional theory with the generalized gradient approximation(DFT-GGA).The calculated lattice constants are in conformity with the previous experimental and theoretical data.The deduced elastic constants show that the investigated Al_3Ti,AlTi,AlCu,and AlTiCu_2 structures are mechanically stable.Shear modulus,Young's modulus,Poisson's ratio,and the ratio B/G have also been figured out by using reckoned elastic constants.A further analysis of Young's modulus and Poisson's ratio reveals that the third added element copper content has significant effects on the Al-Ti-based ICs ductile character.     

用超声背向散射谱定征柱状固体的弹性常数

根据流体中圆柱固体对超声波的背向散射谱与固体弹性参数的密切关系,本提出了材料弹性参数测量的一种新方法－超声背向散射谱法;测量了铜合金杆和铝合金杆的超声背向散射谱,并反演得到了它们的杨氏模量和泊松比。和传统的静力学方法相比,超声背向散射法测得的数据较精确,且对被测材料不会造成任何损伤。     

First-principles study of the structural, elastic, electronic, optical, and vibrational properties of intermetallic Pd2Ga

The structural, elastic, electronic, optical, and vibrational properties of the orthorhombic Pd₂Ga compound are investigated using the norm-conserving pseudopotentials within the local density approximation in the frame of density functional theory. The calculated lattice parameters have been compared with the experimental values and found to be in good agreement with these results. The second-order elastic constants and the other relevant quantities, such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocity, and Debye temperature, have been calculated. It is shown that this compound is mechanically stable after analysing the calculated elastic constants. Furthermore, the real and imaginary parts of the dielectric function and the optical constants, such as the optical dielectric constant and the effective number of electrons per unit cell, are calculated and presented. The phonon dispersion curves are derived using the direct method. The present results demonstrate that this compound is dynamically stable.     

Elastic constants determination by direct measurement of the beat wavelength between A0 and S0 Lamb modes with pulsed TV holography

A whole-field optical technique of high sensitivity, namely pulsed TV holography with phase evaluation by the Spatial Fourier Transform Method, is applied to the acquisition of instantaneous displacement fields of ultrasonic Lamb waves in aluminium plates a few millimetres thick. Two Lamb modes, the A0 and S0 ones, are simultaneously generated in the plate, producing a clear beating. Several values of the beat wavelength, corresponding to different excitation frequencies, are obtained by direct measurement of the distance between nodes in the wave field. The obtained values are fitted to the theoretical Rayleigh–Lamb frequency spectrum in order to determine the elastic constants of the plate material. We conclude that it is necessary to know the value of another parameter to univocally solve the problem, and so the bulk longitudinal wave velocity is measured by the pulse-echo method. Then the Poisson's ratio is obtained and, from these two parameters, the Young's modulus can also be determined.     

Ab initio calculations of the elastic, electronic, optical, and vibrational properties of PdGa compound under pressure

The structural, elastic, electronic, optical, and vibrational properties of cubic PdGa compound are investigated using the norm-conserving pseudopotentials within the local density approximation (LDA) in the framework of the density functional theory. The calculated lattice constant has been compared with the experimental value and has been found to be in good agreement with experimental data. The obtained electronic band structures show that PdGa compound has no band gap. The second-order elastic constants have been calculated, and the other related quantities such as the Young’s modulus, shear modulus, Poisson’s ratio, anisotropy factor, sound velocities, and Debye temperature have also been estimated. Our calculated results of elastic constants show that this compound is mechanically stable. Furthermore, the real and imaginary parts of the dielectric function and the optical constants such as the electron energy-loss function, the optical dielectric constant and the effective number of electrons per unit cell are calculated and presented in the study. The phonon dispersion curves are also derived using the direct method.     

硅酸镁钙钛矿弹性及热力学特性的第一性原理计算

基于密度泛函理论的第一性原理计算,结合准谐德拜模型研究了高压下硅酸镁钙钛矿的弹性及热力学特性. 计算得到的物态方程数据、热容、热膨胀系数等在宽广的温度和压力范围与实验结果及其他理论计算结果吻合. 根据有限应变理论计算了硅酸镁钙钛矿的弹性常数,并讨论了杨氏模量、泊松比、德拜温度、晶体各向异性随压力的变化.     

Orientation dependence of elastic properties in orthorhombic Ca_3Mn_2O_7

Elastic properties are important in fundamental understanding of multiferroic materials. However, up to now, there is no work about anisotropy of elastic properties in orthorhombic Ca_3Mn_2O_7. In this study, using coordinate transformation method, we investigated basic elastic parameters(elastic constants c'_(ij)) and engineering elastic parameters(Young's modulus E, Poisson's ratio v, and the rigidity modulus G') of orthorhombic Ca_3Mn_2O_7 along arbitrary orientations. The detailed anisotropic characteristics of these parameters were presented. The results reveal the orientation related elastic properties in mm2 point group orthorhombic Ca_3Mn_2O_7.     

First-Principles Calculations of Structural,Elastic and ElectronicProperties of Tetragonal HfO2under Pressure

Structural, elastic and electronic properties of tetragonal HfO₂ at applied hydrostatic pressure up to 50 GPa have been investigated using the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory (DFT). The calculated ground-state properties are in good agreement with previous theoretical and experimental data. Six independent elastic constants of tetragonal HfO₂ have been calculated at zero pressure and high pressure. From the obtained elastic constants, the bulk, shear and Young's modulus, Poisson's coefficients, acoustic velocity and Debye temperature have been calculated at the applied pressure. Band structure shows that tetragonal HfO₂ is an indirect band gap. The variation of the gap versus pressure is well fitted to a quadratic function.     

Structural and mechanical stability of rare-earth diborides

Structural and mechanical properties of several rare-earth diborides were systematically investigated by first principles calculations. Specifically, we studied XB2 , where X=Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, and Lu in the hexagonal AlB2 , ReB2 , and orthorhombic OsB2 -type structures. The lattice parameters, bulk modulus, bond distances, second order elastic constants, and related polycrystalline elastic moduli (e.g., shear modulus, Young’s modulus, Poisson’s ratio, Debye temperature, sound velocities) were calculated. Our results indicate that these compounds are mechanically stable in the considered structures, and according to "Chen’s method", the predicted Vickers hardness shows that they are hard materials in AlB2 - and OsB2 -type structures.     

L12型铝合金的结构、弹性和电子性质的第一性原理研究

运用第一性原理方法研究了L12型铝合金相Al3Sc和Al3Zr的晶体结构、电子结构和弹性.结合能和形成能的计算表明,两种合金具有较强的合金化能力,且Al3Zr较Al3Sc具有更强的结构稳定性.电子结构分析表明,费米能级以下较多的价电子数决定了Al3Zr具有较强的结构稳定性.计算并分析比较了两种合金相的单晶弹性常数(C11,C12和C44)以及多晶弹性模量(体弹性模量B、剪切模量G、杨氏模量Y、泊松比ν和各向异性因子A).通过对比实验和其他理论计算结果,进一步分析和解释了两种合金相的力学性质.     

Elastic properties and electronic structures of lanthanide hexaborides

The structural, elastic, and electronic properties of a series of lanthanide hexaborides(Ln B6) have been investigated by performing ab initio calculations based on the density functional theory using the Vienna ab initio simulation package.The calculated lattice and elastic constants of Ln B6 are in good agreement with the available experimental data and other theoretical results. The polycrystalline Young's modulus, shear modulus, the ratio of bulk to shear modulus B/G, Poisson's ratios, Zener anisotropy factors, as well as the Debye temperature are calculated, and all of the properties display some regularity with increasing atomic number of lanthanide atoms, whereas anomalies are observed for Eu B6 and Yb B6. In addition, detailed electronic structure calculations are carried out to shed light on the peculiar elastic properties of Ln B6.The total density of states demonstrates the existence of a pseudogap and indicates lower structure stability of Eu B6 and Yb B6 compared with others.     

Measurement of Poisson's ratio using Newton's rings

A simple optical method of measuring Poisson's ratio is reported. It is most applicable to polymer spheres in circumstances where conventional nondestructive testing is not possible. The method relies on the use of microscopic investigations of Newton's rings to measure the radius of the Hertzian contact between the test sample and a flat glass plate. Measurement over a range of loads gives an estimate of Poisson's ratio provided that Young's modulus is known for the sample.     

Ground-State Structure and Physical Properties of NB_2 Predicted from First Principles

Using the newly developed particle swarm optimization algorithm on crystal structural prediction,we predict a new class of boron nitride with stoichiometry of NB_2 at ambient pressure,which belongs to the tetragonal I4m2 space group.Then,its structure,elastic properties,electronic structure,and chemical bonding are investigated by first-principles calculations with the density functional theory.The phonon calculation and elastic constants confirm that the predicted NB_2 is dynamically and mechanically stable,respectively.The large bulk modulus,large shear modulus,large Young's modulus,and small Poisson's ratio show that the I4m2 NB_2 should be a new superhard material with a calculated theoretical Vickers hardness value of 66 GPa.Further analysis on density of states and eiectron localization function demonstrate that the strong B-B and B-N covalent bonds are the main reason for its high hardness in I4m2 NB_2.     

Elastic characterization of closed cell foams from impedance tube absorption tests

A method is presented to determine the bulk elastic properties of isotropic elastic closed-cell foams from impedance tube sound absorption tests. For such foams, a resonant sound absorption is generally observed, where acoustic energy is transformed into mechanical vibration, which in turn is dissipated into heat due to structural damping. This article shows how the bulk Young's modulus, Poisson's ratio, and damping loss factor can be deduced from the resonant absorption. Also, an optimal damping loss factor yielding 100% of absorption at the first resonance is defined from the developed theory. The method is introduced for a sliding edge condition which is an ideal condition. Then, the method is extended to a bonded edge condition which is more easily achievable and additionally enables the identification of the Poisson's ratio. The method is experimentally tested on expanding closed-cell foams to find their elastic properties in both cases. Using the found properties, sound absorption predictions using an equivalent solid model with and without surface absorption are compared to measurements. Good correlations are obtained when considering surface absorption.     

Ab initio calculation of elastic properties of rock-salt and zinc-blend MgS under pressure

The elastic properties of zinc-blend (ZB) and rock-salt (RS) MgS are calculated by ab initio method. The calculation shows that the enthalpy for RS structure and for ZB structure essentially is the same at ambient pressure. The ZB structure becomes unstable above 5 GPa. For these two structures, the pressure dependences of typical elastic properties, i.e. the bulk modulus, the shear modulus, the Young's modulus, the Poisson's ratio, and the anisotropy factor, are presented. The Debye temperature and sound velocity under high pressure have also been calculated. Debye approximation is used to estimate the zero-point vibrational energy.     

On a simple impact test method for accurate measurement of material properties

A simple impact test method is presented to accurately measure the elastic and shear moduli and Poisson's ratio of a uniform Aluminum 6061-T651 cylindrical specimen with free boundary conditions. The elastic modulus is determined from the longitudinal vibration of the specimen and the shear modulus is determined from its torsional vibration. A new technique is developed to mount an accelerometer on the specimen to measure its torsional vibration. The Poisson's ratio determined for the specimen matches exactly with its known value.     

Phase transition,elastic and electronic properties of topological insulator Sb_2Te_3 under pressure: First principle study

The phase transition, elastic and electronic properties of three phases(phase Ⅰ,Ⅱ, and Ⅲ) of Sb_2Te_3 are investigated by using the generalized gradient approximation(GGA) with the PBESOL exchange–correlation functional in the framework of density-functional theory. Some basic physical parameters, such as lattice constants, bulk modulus, shear modulus,Young's modulus, Poisson's ratio, acoustic velocity, and Debye temperature Θ are calculated. The obtained lattice parameters under various pressures are consistent with experimental data. Phase transition pressures are 9.4 GPa(Ⅰ→Ⅱ) and 14.1 GPa(Ⅱ→Ⅲ), which are in agreement with the experimental results. According to calculated elastic constants, we also discuss the ductile or brittle characters and elastic anisotropies of three phases. Phases Ⅰ and Ⅲ are brittle, while phaseⅡ is ductile. Of the three phases, phaseⅡ has the most serious degree of elastic anisotropy and phase Ⅲ has the slightest one.Finally, we investigate the partial densities of states(PDOSs) of three phases and find that the three phases possess some covalent features.     

Study of the elastic constants in a La0.6Sr0.4MnO3 film by means of laser-generated ultrasonic wave method

Two dimensional (2D) displacement field of the laser-generated ultrasonic wave is detected in a two-layered structure of La(0.6)Sr(0.4)MnO(3) (LSMO)/MgO system by means of the optical difference detection method. In order to obtain the elastic constants of the La(0.6)Sr(0.4)MnO(3) thin film, the displacement field of the laser-generated ultrasonic wave for the La(0.6)Sr(0.4)MnO(3)/MgO system is analyzed with finite element method (FEM). We further compare the theoretical simulations with the experimental results, and the elastic constants for the LSMO film, i.e., the Young's modulus and Poisson ratio, are obtained.