Third-order elastic constants and pressure derivatives of the second-order elastic constants of β-tin

The second- and third-order elastic constants and pressure derivatives of second-order elastic constants of tetragonal β-tin have been obtained using the deformation theory. The strain energy density derived using the deformation theory is compared with the strain dependent lattice energy obtained from the elastic continuum model approximation to get the expressions for the second- and third-order elastic constants. Higher order elastic constants are a measure of the anharmonicity of a crystal lattice. The 12 non-vanishing third-order elastic constants and the six pressure derivatives of the second-order elastic constants in tetragonal β-tin are obtained in the present work and are compared with the available experimental values. The second-order elastic constant C₃₃ obtained in the present study is in reasonable agreement with the experimental values. The third-order elastic constants are generally one order of magnitude greater than the second-order elastic constants as expected of a crystalline solid. The third-order elastic constant C₃₃₃ is higher in magnitude than all other values. This shows a greater anharmonicity of β-tin along the c-axis direction of the crystal.     

具有六方晶系结构的多晶体材料弹性常数——Y弹性常数

利用最近提出的新的物理参量——Ｙ弹性常数,将其应用于具有六方晶系结构的多晶体材料.推导了六方晶系结构的多晶体材料之Ｙ弹性常数,通过算例与具有六方晶系结构的多晶体材料之X射线弹性常数进行了比较.运用这个Ｙ弹性常数进一步推导出的多晶体材料整体之机械弹性常数的表达式与Kneer的研究结果中的表达式虽然形式不同,但针对具体材料所计算的结果却完全符合. 关键词： Y弹性常数 六方晶系 多晶体材料     

Third order elastic constants of V3Si and V3Ge

General expressions have been derived for the second order elastic constants and third order elastic constants of the A-15 structure compounds with the nearest neighbour central interaction. The second order elastic constants, the third order elastic constants and the pressure derivatives of the second order elastic constants of V₃Si and V₃Ge are reported and compared with the available experimental measurements.     

RUS study of the elastic constants in silver halide crystals

By using RUS method, the temperature dependence of the elastic constants in the silver halide crystals has been measured above room temperature. The elastic constants decrease linearly with increasing temperature. Numerical calculations are presented for the contribution of the multipole polarization to the elastic constants in the silver halide crystals. The calculated values of the deviation from the Cauchy relation are about a quarter of the experimental values. The multipole polarization significantly affects the elastic constants and contributes to the violation of the Cauchy relation.     

Elastic constants of natural quartz

The elastic constants of a natural-quartz sphere using resonance-ultrasound spectroscopy (RUS) are measured. The measurements of the near-traction-free vibrational frequencies of the sphere are matched with the predicted frequencies from the dynamic theory of elasticity, with optimized estimates for the elastic constants driving the differences between these sets of frequencies to a minimal value. The present computational model, although based on earlier approaches, is the first application of RUS to trigonal-symmetry spheres. Quartz shows six independent elastic constants, and our estimates of these constants are close to those computed by other means. Except for C14, after a 1% mass-density correction, natural quartz and cultured quartz show the same elastic constants. Natural quartz shows higher internal frictions.     

Anharmonic properties of TmTe

Data on elastic constants and associated properties at high temperature for TmTe crystal are presented and discussed starting from primary physical parameters viz. nearest neighbour distance and hardness parameter assuming long- and short-range potentials. When the values of the higher order elastic constants are known for a crystal, many of the anharmonic properties of the crystal can be treated within the limit of the continuum approximation in a quantitative manner. In this study, higher order elastic constants and related properties are computed upto 1000 K for TmTe. The first-order pressure derivatives of second- and third-order elastic constants, the second-order pressure derivatives of second-order elastic constants and partial contractions are also evaluated at different temperatures. The results thus obtained are compared with other available data and found in well agreement with present values.     

关于岩石三阶弹性常数的超声测量方法

油气储层岩石的三阶弹性常数反映了该岩石的速度应力敏感性,是利用声波测井或地震资料进行原位地应力反演的基本参数。本文阐述了利用声弹性理论在实验室测量岩石三阶弹性常数的原理与方法,并给出了部分实验结果。这些参数将为研究声波在预应力声场中传播规律的提供基础数据,同时也为定量分析利用交叉偶极声波测井评价地应力的精度提供了依据。不同岩石的三阶弹性常数较大差异表明,通过速度各向异性进行应力反演时必须考虑岩石本身非线性的差异。     

Anharmonic properties of rocksalt structure solids

An effort has been made for obtaining the anharmonic properties of rocksalt structure solids starting from primary physical parameters viz. nearest-neighbor distance and hardness parameter assuming long- and short-range potentials at elevated temperatures. The elastic energy density for a deformed crystal can be expanded as power series of strains for obtaining coefficients of quadratic, cubic and quartic terms which are known as the second-, third- and fourth-order elastic constants, respectively. When the values of the higher-order elastic constants are known for a crystal, many of the anharmonic properties of the crystal can be treated within the limit of the continuum approximation in a quantitative manner. In this study, higher-order elastic constants are computed up to their melting temperature for rocksalt structure solids, which are alkali cyanides, sodium and potassium halides. The first order pressure derivatives of second- and third-order elastic constants, the second-order pressure derivatives of second-order elastic constants and partial contractions are also evaluated at different temperatures for these substances. The results thus obtained are compared with experimental data and found in well agreement with present values.     

Complete mode identification for resonance ultrasound spectroscopy

This study is devoted to deducing exact elastic constants of an anisotropic solid material without using any advance information on the elastic constants by incorporating a displacement-distribution measurement into resonant ultrasound spectroscopy (RUS). The usual RUS method measures free-vibration resonance frequencies of a solid and compares them with calculations to find the most suitable set of elastic constants by an inverse calculation. This comparison requires mode identification for the measured resonance frequencies, which has been difficult and never been free from ambiguity. This study then adopts a laser-Doppler interferometer to measure the displacement-distribution patterns on a surface of the vibrating specimen mounted on pinducers; comparison of the measured displacement distributions with those computed permits us to correctly identify the measured resonance frequencies, leading to unmistakable determination of elastic constants. Because the displacement patterns are hardly affected by the elastic constants, an exact answer is surely obtained even when unreasonable elastic constants are used as initial guesses at the beginning of the inverse calculation. The usefulness of the present technique is demonstrated with an aluminum alloy and a langasite crystal.     

DETERMINATION OF ELASTIC CONSTANTS OF ANISOTROPIC LAMINATED PLATES USING ELASTIC WAVES AND A PROGRESSIVE NEURAL NETWORK

In this paper, a procedure is suggested to inversely determine the elastic constants of anisotropic laminated plates using a progressive neural network (NN). The surface displacement responses are used as the inputs for the NN model. The outputs of the NN are the elastic constants of anisotropic laminated plates. The hybrid numerical method (HNM) is used to calculate the displacement responses of laminated plates to an incident wave for given elastic constants. The NN model is trained using the results from the HNM. A modified back-propagation learning algorithm with a dynamically adjusted learning rate and an additional jump factor is developed to tackle the possible saturation of the sigmoid function and to speed up the training process for the NN model. The concept of orthogonal array was adopted to generate the representative combinations of elastic constants, which reduces significantly the number of training data while maintaining its data completeness. Once trained, the NN model can be used for on-line determination of the elastic constants if the dynamic displacement responses on the surface of the laminated plate can be obtained. The determined elastic constants are then used in the HNM to calculate the displacement responses. The NN model would go through a progressive retraining process until the calculated displacement responses using the determined results are sufficiently close to the actual responses. This procedure is examined for an actual glass/epoxy laminated plate. It is found that the present procedure is very robust and efficient for determining the elastic constants of anisotropic laminated plates.     

The second and third order elastic constants of alkali metals

The second and third order elastic constants of the alkali metals have been calculated on the long wave method using the Heine-Abarenkov lacal model potential with different exchange-correlation corrections. It is found that the use of an exchange correlation correction which satisfies the compressibility sum rule leads to a good agreement between the calculated and measured second order elastic constants of the alkali metals Na, K, Rb and Cs. The shear elastic constants however come out correct even if the compressibility sum rule is violated by the exchange-correlation correction. The third order elastic constants and the pressure derivatives of the second order elastic constants and the pressure derivatives of the second order elastic constants calculated on the HA local potential are lower than the experimental values at room temperature. The discrepancy is pronounced for the heavier alkali metals. Similar calculations using the Wallace potential for Li, Na and K and the Schneider-Stoll potential for Rb give the pressure derivative in good agreement with experiment. In view of the important role by the exchange correlation correction, Suzuki's results calculated without taking this correction into account can only be accepted with some reservation.     

Elastic constants for NaCl and KCl solids at high temperatures

In the present study we derive new relationships to predict the temperature dependence of elastic constants. Proposed relationships are applied to study elastic constants of NaCl and KCl. A linear relationship between thermal expansivity and elastic constants at high temperatures is found to exhibit for solids. The extrapolated data on elastic constants in very high temperature region obtained in the present study are useful to understand the thermoelastic properties of NaCl and KCl. A close agreement between theory and experiment reveals the validity of the formulations used.     

Third-order elastic constants of the alloy Fe72Pt28

The complete sets of second- and third-order elastic constants of the cubic Fe₇₂Pt₂₈ have been obtained using the strain energy density derived from interactions up to three nearest neighbours of each atom in the unit cell. The finite strain elasticity theory has been used to get the strain energy density of Fe₇₂Pt₂₈. The strain energy density is compared with the strain-dependent lattice energy density obtained from the continuum model approximation and the expressions for the second- and third-order elastic constants of Fe₇₂Pt₂₈ are given. The second-order potential parameter is deduced from the measured second-order elastic constants of Fe₇₂Pt₂₈ and the third-order potential parameter is estimated from the Lennard-Jones inter-atomic potential for Fe₇₂Pt₂₈. The inter-lattice displacements; the three independent second-order elastic constants and the six independent third-order elastic constants of Fe₇₂Pt₂₈ are also determined. The second-order elastic constants are compared with the experimental elastic constants of Fe₇₂Pt₂₈. We also study the effect of pressure on the second-order elastic constants of Fe₇₂Pt₂₈.     

Elastic properties of nanostructured materials with layered grain boundary structure

Atomistic calculations of the elastic constants for a bulk nanostructured material that consists of a layered structure where alternating layers meet along high angle grain boundaries and where atoms interact via a Lennard-Jones potential are presented. The calculations of the elastic constants were performed in the frame of homogeneous deformations for a wide range of layer widths ranging from 2.24 up to 74.62 nm. The results showed that the relaxation of the atomic structure affects the elastic constants for the cases where more than 5% of atoms are located in the GB region. Also it was found that the way that external stresses are applied on the system affects the values of the obtained elastic properties, with the elastic constants related to the characteristic directions of the grain boundary being the most affected ones. The findings of this work are of interest for the fabrication methods of nanostructured materials, the measurement methods of their elastic properties as well as multiscale modeling schemes of nanostructured materials.     

Mechanical elastic constants and diffraction stress factors of macroscopically elastically anisotropic polycrystals: the effect of grain-shape (morphological) texture

The effect of the grain-shape (‘morphological’) texture of a polycrystal on the mechanical elastic constants and diffraction (X-ray) stress factors is investigated. To this end, the Eshelby–Kröner grain interaction model originally devised for polycrystals consisting of spherical grains is extended to ellipsoidal grain morphology. Results obtained for the mechanical elastic constants show that a polycrystal consisting of ellipsoidal grains with their principal axes aligned along common directions (i.e. when an ideal grain-shape texture occurs) is macroscopically elastically anisotropic. Also the diffraction (X-ray) stress factors are affected by the grain-shape texture; they reflect the macroscopic elastic anisotropy by resulting in nonlinear so-called sin²?ψ plots. In general, a grain-shape texture can have a moderate effect on the mechanical elastic constants and a pronounced effect on the diffraction elastic constants, depending on the crystal symmetry and single-crystal elastic anisotropy.     

The molecular-statistical calculation of the elastic constants of uniaxial nematics

Using the molecular-statistical theory of the thermodynamic properties of nematics and perturbation theory, the expressions for the elastic constants of uniaxial nematics are derived in terms of the mutual interactions between their constituent molecules. Next the elastic constants of the Maier-Saupe model are calculated and compared with the original result. The appearing difference is discussed briefly. Finally, in view of existing discrepancies, the elastic constants of the Onsager model are recalculated. For that purpose the hard rod interaction is conceived as the limit of a non-singular interaction. The elastic constants of hard core models are shown to increase with increasing temperature at constant density. In view of this behaviour the usefulness of hard core models for an understanding of the nematic state seems rather limited.     

具有立方晶系结构的多晶体材料的弹性常数——Y弹性常数

提出了一个新的物理参量“Ｙ弹性常数”,并阐述了其物理含义.并将其应用于具有立方晶系结构的多晶体材料,推导了立方晶系结构的多晶体材料的Ｙ弹性常数,通过算例与具有立方晶系结构的多晶体材料的X射线弹性常数进行了比较.运用这个Ｙ弹性常数进一步推导出的多晶体材料整体的机械弹性常数的表达式与Krner的研究结果完全符合. 关键词： Y弹性常数 立方晶系 多晶体材料     

Calculated elastic constants of dilute alloys based on bcc metals

The elastic constants of dilute alloys based on bcc metals have been calculated using the Green’s function method obtaining explicit expressions for change in elastic constants in terms oft-matrix. The crystal impurity problem is discussed within an impurity model containing central and non-central force constant changes extended up to second neighbours of the impurity. The effect of volume change on elastic constants and a contribution from electron pressure term are considered. Numerical results for changes in three elastic moduli have been presented for a number of dilute alloys based on Mo, Nb, W, Ta and V.     

Elastic constants of layers in isotropic laminates

The individual laminae elastic constants in multilayer laminates composed of dissimilar isotropic layers were determined using ultrasonic-resonance spectroscopy and the linear theory of elasticity. Ultrasonic resonance allows one to measure the free-vibration response spectrum of a traction-free solid under periodic vibration. These frequencies depend on pointwise density, laminate dimensions, layer thickness, and layer elastic constants. Given a material with known mass but unknown constitution, this method allows one to extract the elastic constants and density of the constituent layers. This is accomplished by measuring the frequencies and then minimizing the differences between these and those calculated using the theory of elasticity for layered media to select the constants that best replicate the frequency-response spectrum. This approach is applied to a three-layer, unsymmetric laminate of WpCu, and very good agreement is found with the elastic constants of the two constituent materials.     

ELECTRIC FIELD EFFECTS ON THE ELASTIC CONSTANTS OF NENATICS II

The threshold potentials for different types of electric Freedericksz transitions are calculated from the free energy density expression for nematics in an external electric field derived by the present authors. It is found that the experimentally determined elastic constants should be replaced by the effective elastic constants. With the effective elastic constants some of the discrepancies between earlier theoretical calculations and experimental data can be expl ained qualitatively.