The gauge theory of dislocations: Static solutions of screw and edge dislocations

We investigate the T(3)-gauge theory of static dislocations in continuous solids. We use the most general linear constitutive relations in terms of the elastic distortion tensor and dislocation density tensor for the force and pseudomoment stresses of an isotropic solid. The constitutive relations contain six material parameters. In this theory, both the force and pseudomoment stresses are asymmetric. The theory possesses four characteristic lengths ?₁, ?₂, ?₃ and ?₄, which are given explicitly. We first derive the three-dimensional Green tensor of the master equation for the force stresses in the translational gauge theory of dislocations. We then investigate the situation of generalized plane strain (anti-plane strain and plane strain). Using the stress function method, we find modified stress functions for screw and edge dislocations. The solution of the screw dislocation is given in terms of one independent length ?₁ = ?₄. For the problem of an edge dislocation, only two characteristic lengths ?₂ and ?₃ arise with one of them being the same ?₂ = ?₁ as for the screw dislocation. Thus, this theory possesses only two independent lengths for generalized plane strain. If the two lengths ?₂ and ?₃ of an edge dislocation are equal, we obtain an edge dislocation, which is the gauge theoretical version of a modified Volterra edge dislocation. In the case of symmetric stresses, we recover well-known results obtained earlier.     

Coupled temperature dependences of volume and compressibility

We present a new method for understanding the changes with temperature of the volume and compressibility of solids. These changes depend on five parameters: V ₀, B ₀, Θ, γ _G and δ _T. V ₀ and B ₀ are the atomic volume and bulk modulus at T?=?0?K, Θ is the Debye temperature, γ _G is the Grüneisen parameter, and δ _T is the Anderson–Grüneisen parameter. Equations for the temperature-dependent volume, bulk modulus and thermal expansion are given, and examples of the use of these equations are provided, with particular emphasis on the light actinides. For the elements, we examine the relationship between experimental values of γ _G and δ _T, and find no clear correlation. In particular, Swenson's rule, which states that the bulk modulus does not change with temperature if the volume is held constant, is a poor approximation to the data. We reveal a new useful approximate relationship between dB/dP and γ _G. We find that the thermodynamic quantity q, which describes the variation in γ _G with volume, distributes around 2, not around 1, as often assumed. We show that the thermal- expansion behavior of Si and Ge (including negative thermal expansion at low temperatures) are well described with the use of a two-level invar model.     

A formulation for the characteristic lengths of fcc materials in first strain gradient elasticity via the Sutton–Chen potential

The usual continuum theories are inadequate in predicting the mechanical behavior of solids in the presence of small defects and stress concentrators; it is well known that such continuum methods are unable to detect the change of the size of the inhomogeneities and defects. For these reasons various augmented continuum theories and strain gradient theories have been proposed in the literature. The major difficulty in implication of these theories lies in the lack of information about the additional material constants which appear in such theories. For fcc metals, for the calculation of the associated characteristic lengths which arise in first strain gradient theory, an atomistic approach based on the Sutton–Chen interatomic potential function is proposed. For the validity of the computed characteristic lengths, the phenomenon of the size effect pertinent to a nano-sized circular void within an fcc (111) plane is examined via both first strain gradient theory and lattice statics. Comparison of the results explains the physical ramifications of the characteristic lengths in improving the usual continuum results. Moreover, by reconsideration of the Kelvin problem it is shown that a commonly employed variant of the first strain gradient theory is only valid for a few fcc metals.     

Elastohydrodynamic problems in quasicrystal elasticity theory and wave propagation

Elastohydrodynamic problems of decagonal quasicrystals are analysed where the phonon field obeys wave equation and the phason field obeys diffusive wave equation. Basic equations are solved in the quasiperiodic plane and periodic plane, respectively. Final governing equations of dynamic behaviours of decagonal quasicrystals are obtained. A general solution is derived in terms of introduced three auxiliary functions, where two individually satisfy a fourth-order partial differential equation and one satisfies a second-order hyperbolic diffusion equation. Using the derived governing equations, elastic waves propagating in the quasiperiodic plane and a plane containing the period axis are analysed. Secular equations are obtained. It is found that differing from conventional crystals, at least four branches of elastic waves exist when the phonon–phason coupling is present. Moreover, acoustic waves have attenuation during wave propagation. Phason fluctuations exhibit exponential decaying behaviour due to kinematic viscosity and damping. The phase speeds are isotropic in the quasiperiodic plane and anisotropic in a plane with the periodic axis. The section of the slowness surfaces is plotted.     

Influence of atomic size mismatch on binary alloy phase diagrams

Abstract

The aim of this paper is to investigate the consequences of atomic size mismatch on the thermodynamics and the topology of binary phase diagrams of face centred cubic alloys. Simple pairwise interatomic potentials with few controlling parameters are used to identify general tendencies. Thermodynamic states are computed by Monte Carlo simulations on a non-rigid lattice. A special attention has been paid to the comparison between calculations in the canonical ensemble, where composition–temperature phase diagrams are determined through van der Waals loops, and in the grand canonical ensemble, where phase diagrams are computed using an interface migration technique. It is shown that these two procedures lead essentially to the same incoherent phase diagram. In the case of phase separating systems, we argue that the introduction of a size mismatch leads to a shrinkage of the solid solution domain and that the asymmetry of the miscibility gap is essentially controlled by the anharmonicity of the heteroatomic potential. Finally, in the case of ordering systems, we show that the asymmetry of the phase diagram may be due to the anharmonicity of the pair potentials or to the differences between their curvatures, the former effect being dominant if the atomic size mismatch is large.     

Towards a nonlinear elastic representation of finite compression and instability of boron carbide ceramic

A nonlinear constitutive model invoking third-order anisotropic elasticity is developed for boron carbide single crystals subjected to potentially large compressive stresses. The model makes use of limited available published data from various experimental and theoretical (i.e., quantum or ab initio) studies. The model captures variations in second-order tangent elastic moduli and loss of elastic mechanical stability with increasing compression. In particular, reduced stability of boron carbide single crystals compressed normal to the c-axis (i.e., [0001]-direction) relative to higher stability in spherical compression is represented. Different stability criteria proposed in the literature are examined for boron carbide under spherical and uniaxial compression; model predictions show that the most critical criterion corresponds to a vanishing eigenvalue of a particular tangent stiffness matrix (i.e., incremental modulus) derived exactly in the present work. Model constants are proposed for CCC (less elastically stable) and polar CBC (more elastically stable) polytypes of boron carbide. Application of the model to a homogeneously strained polycrystal provides support for the hypothesis that failure (e.g., amorphization) follows a loss of elastic stability of favorably oriented grains at shock pressures on the order of 18–20?GPa. Additional experiments or atomic simulations are suggested that would resolve currently indeterminate features of the nonlinear elastic model.     

Comparison of stress singularities of kinked carbon and glass fibres weakening compressed unidirectional composites: a three-dimensional trimaterial junction stress singularity analysis

A three-dimensional eigenfunction expansion technique, based in part on separation of the thickness variable and partly utilizing a modified Frobenius-type series expansion in conjunction with the Eshelby–Stroh formalism, is used to compute the local stress singularity, in the vicinity of a kinked fibre/matrix trimaterial junction front, representing a measure of the degree of inherent flaw sensitivity of unidirectional carbon-fibre-reinforced composites under compression. Micro-kinking, more prominent in the misaligned regions of carbon fibres, is caused by crystallite disorientations, as detected by the Raman and X-ray measurements, as well as dislocation glide in crystallites and intra/intercrystallite disorders. The present analysis explains the test results relating to propagation of failure from such discontinuities in a unidirectional composite under compression. Numerical results presented include the effect of fibre wedge aperture angle on the strengths of the mode I and mode II singularities. Of special practical interest is the comparison of the inherent flaw sensitivity of carbon/epoxy and glass/epoxy composites, because improvement of the compressive strength and kink toughness was earlier accomplished through commingling of highly anisotropic (and crystalline) carbon and isotropic (and amorphous) glass fibres at the tow level. Compression fracture of these composites can be fully explained and quantified by the present three-dimensional linear elastic stress singularity analysis-based method. Finally, numerical results, pertaining to the through-thickness variation of ‘stress intensity factor’ for symmetric uniform load and its skew-symmetric counterpart that also satisfies the boundary conditions on the top and bottom surfaces of a compressed composite monolayer, in the vicinity of a trimaterial junction front, are also presented.     

On the macroscopic response,microstructure evolution,and macroscopic stability of short-fibre-reinforced elastomers at finite strains: I – Analytical results

This paper presents a homogenization-based constitutive model for the mechanical behaviour of particle-reinforced elastomers with random microstructures subjected to finite deformations. The model is based on a recently improved version of the tangent second-order (TSO) method (Avazmohammadi and Ponte Castañeda, J. Elasticity 112 (2013) p.139–183) for two-phase, hyperelastic composites and is able to directly account for the shape, orientation, and concentration of the particles. After a brief summary of the TSO homogenization method, we describe its application to composites consisting of an incompressible rubber reinforced by aligned, spheroidal, rigid particles, undergoing generally non-aligned, three-dimensional loadings. While the results are valid for finite particle concentrations, in the dilute limit they can be viewed as providing a generalization of Eshelby’s results in linear elasticity. In particular, we provide analytical estimates for the overall response and microstructure evolution of the particle-reinforced composites with generalized neo-Hookean matrix phases under non-aligned loadings. For the special case of aligned pure shear and axisymmetric shear loadings, we give closed-form expressions for the effective stored-energy function of the composites with neo-Hookean matrix behaviour. Moreover, we investigate the possible development of “macroscopic” (shear band-type) instabilities in the homogenized behaviour of the composite at sufficiently large deformations. These instabilities whose wavelengths are much larger than the typical size of the microstructure are detected by making use of the loss of strong ellipticity condition for the effective stored-energy function of the composites. The analytical results presented in this paper will be complemented in Part II (Avazmohammadi and Ponte Castaneda, Phil. Mag. (2014)) of this work by specific applications for several representative microstructures and loading configurations.     

Frequency analysis of piezoelectric nanowires with surface effects

In this paper, the modified Timoshenko beam model is used to analyze the vibration of piezoelectric nanowires in the presence of surface effects. Analytical relations are given for the natural frequency of nanowires by accounting for the effects of surface elasticity, residual surface tension, and transverse shear deformation. Through an example, it is shown that the natural frequency depends on both the surface stresses and piezoelectricity. This study is expected to provide useful insights for the design of piezoelectric-nanowire-based nanodevices.