Fields of stress and electric displacement produced by dislocations and disclinations in three-dimensional,anisotropic, elastic,and piezoelectric media. II. Infinite straight dislocation and Frank disclination

The fields of stress and electric displacement caused by infinitely extended straight dislocations and Frank disclinations are deduced from the author's statements for the fields caused by a continuous distribution of dislocations and disclinations (S. Minagawa, Phil. Mag. 84 2229 (2004)). The multiple integrals in the original statements are converted into functions of space coordinates. Cauchy's theorem plays an important part. The improper integral that appears in computations of the fields around a Frank disclination is interpreted as its finite part by Hadamard. Examples are the fields around an infinite straight defect in caesium copper chloride, as well as those in gallium arsenide. The contours and zero lines are plotted to illustrate the fields caused by a dislocation and a disclination dipole.     

Behavior of screw dislocations near phase boundaries in the gradient theory of elasticity

The solution of the boundary-value problem on a rectilinear screw dislocation parallel to the interface between phases with different elastic moduli and gradient coefficients is obtained in one of the versions of the gradient theory of elasticity. The stress field of the dislocation and the force of its interaction with the interface (image force) are presented in integral form. Peculiarities of the short-range interaction between the dislocation and the interface are described, which is impossible in the classical linear theory of elasticity. It is shown that neither component of the stress field has singularities on the dislocation line and remains continuous at the interface in contrast to the classical solution, which has a singularity on the dislocation line and permits a discontinuity of one of the stress components at the interface. This results in the removal of the classical singularity of the image force for the dislocation at the interface. An additional elastic image force associated with the difference in the gradient coefficients of contacting phases is also determined. It is found that this force, which has a short range and a maximum value at the interface, expels a screw dislocation into the material with a larger gradient coefficient. At the same time, new gradient solutions for the stress field and the image force coincide with the classical solutions at distances from the dislocation line and the interface, which exceed several atomic spacings.     

Simulation of the dynamics of a two-dimensional dislocation-disclination ensemble

A computer code for simulating the dynamics of an arbitrary 2D dislocation-disclination ensemble is developed. The code is constructed according to the molecular-dynamics principles; individual interacting particles are taken to be edge dislocations and dipoles of partial wedge disclinations. Pure copper is considered as an example for simulating the glide of one dislocation near an immobile dipole for various orientations of the dipole and under various initial conditions of the problem. The dislocation dynamics is shown to be mainly determined by the distribution of the elastic field of the disclination dipole rather than by the initial velocity of the dislocation.     

Stability of Disclinations in Nematic Liquid Crystals

In the light of φ-mapping method and topological current theory, the stability of disclinations around a spherical particle in nematic liquid crystals is studied. We consider two different defect structures around a spherical particle: disclination ring and point defect at the north or south pole of the particle. We calculate the free energy of these different defects in the elastic theory. It is pointed out that the total Frank free energy density can be divided into two parts. One is the distorted energy density of director field around the disclinations. The other is the free energy density of disclinations themselves, which is shown to be concentrated at the defect and to be topologically quantized in the unit of (k-k₂₄)π/2. It is shown that in the presence of saddle-splay elasticity a dipole (radial and hyperbolic hedgehog) configuration that accompanies a particle with strong homeotropic anchoring takes the structure of a small disclination ring, not a point defect.     

Fields of stress and electric displacement produced by dislocations and disclinations in three-dimensional,anisotropic, elastic and piezoelectric media: elliptical Frank disclination

A statement is made on the theory of continuous distributions of dislocations and disclinations in anisotropic elastopiezoelectric media. The basic field equations governing the fields of stress functions, electric vector potential and incompatibility are presented and solved to give the fields of stress and electric displacement caused by a distribution of dislocations and disclinations. They are expressed in terms of the dislocation- and disclination-density tensors by means of the convolution integrals, extended throughout the medium, and the Fourier integrals. To treat the fields around discrete defects, that is dislocation and/or Frank disclination, the convolution integrals are replaced by the line integrals belonging to the loop of the defect. The fields of stress and electric displacement are given in terms of three quadruple integrals, which are converted into single integrals of explicitly given functions, in the case where the loop of the defect is elliptical. Numerical computations are carried out to estimate the fields in gallium arsenide. The values of those fields at a certain point of the body are presented. The contours and zero lines of the fields of dilatational stress and electric displacement in the plane placed parallel to and at a certain distance from the loop are illustrated.     

Screening of the elastic field of disclinations by a dislocation ensemble

A self-consistent dynamics of a dislocation ensemble in the disclination field is analyzed within the kinetic approach. The effective Airy stress functions for the wedge disclination and the disclination dipole with due regard for the screening effect of the system of distributed dislocation charges are determined. The coordinate dependences of the stress tensor components and dislocation charge density for the screened disclination systems are found. The elastic energies of the screened disclination systems are calculated.     

Non-singular dislocation continuum theories: strain gradient elasticity vs. Peierls–Nabarro model

Abstract

Non-singular dislocation continuum theories are studied. A comparison between Peierls–Nabarro dislocations and straight dislocations in strain gradient elasticity is given. The non-singular displacement fields, non-singular stresses, plastic distortions and dislocation core shapes are analysed and compared for the two models. The main conclusion of this study is that due to their characteristic properties, the non-singular displacement fields, non-singular stresses and dislocation core shape of screw and edge dislocations obtained in the framework of strain gradient elasticity are more realistic and physical than the corresponding fields of the Peierls–Nabarro model. Strain gradient elasticity of dislocations is a continuum dislocation theory including a weak non-locality within the dislocation core and predicting the size and shape of the dislocation core. The dislocation core is narrower in the strain gradient elasticity dislocation model than in the Peierls–Nabarro model and more evenly distributed in two dimensions. The present analysis shows that for the modelling of the dislocation core structure the non-singular dislocation fields of strain gradient elasticity are the suitable ones.     

Specific features of low-temperature phonon scattering in materials with tilted disclination loops

Phonon scattering by static stress fields of circular wedge disclination loops is investigated in the framework of the deformation potential approach. Numerical calculations of the mean free path l and thermal conductivity κ demonstrate that the temperature dependence of κ exhibits a minimum at a certain temperature T* in the low-temperature range. The thermal conductivity κ sharply increases as T ^?3 with a decrease in temperature (T<T*) and exhibits a dislocation behavior (κ ～ T ²) with an increase in temperature (T>T*). The results obtained for the wedge disclination loop are compared with the available data for uniaxial disclination dipoles. It is shown that the properties of uniaxial disclination dipoles serving as sources of phonon scattering are similar to those of wedge disclination loops.     

Anchoring screening of defects interaction in a nematic liquid crystal

The relaxation dynamic of a dipole of +1/2 and -1/2 parallel disclination lines in a confined geometry is measured. The confinement and the planar anchoring conditions force the disclinations to be normal to the glass plates. In a first asymptotic regime, the direct elastic interaction between disclination is completely screened out by the anchoring energy. In a second regime, corresponding to the final annihilation steps, the dynamic follows the square-root law predicted by de Gennes for two isolated and parallel disclinations. The annihilation dynamic, in the asymptotic regime, is in good agreement with an elastic model based on an electrostatic analogy.     

Elastic behaviour of a wedge disclination dipole near a sharp crack emanating from a semi-elliptical blunt crack

The interaction between a wedge disclination dipole and a crack emanating from a semi-elliptic hole is investigated. Utilising the complex variable method, the closed form solutions are derived for complex potentials and stress fields. The stress intensity factor at the tip of the crack and the image force acting on the disclination dipole center are also calculated. The influence of the morphology of the blunt crack and the position of the disclination dipole on the shielding effect to the crack and the image force is examined in detail. The results indicate that the shielding or anti-shielding effect to the stress intensity factor increases when the wedge disclination dipole approaches the tip of the crack. The effects of the morphology of the blunt crack on the stress intensity factor of the crack and the image force are very significant.     

Defects in smectic C* liquid crystals

We consider the structure and properties of various topological defects that can occur in smectic C* liquid crystals. The polarization field associated with disclinations, the effect of incommensuration on the structure of dispirations, some interesting situations in the interaction between dispiration and disclination and between dispirations themselves have been discussed in detail. The properties of cholesteric type disclinations and a possible model for the core structure of a wedge disclination have also been dealt with. The author felicitates Prof. D S Kothari on his eightieth birthday and dedicates this paper to him on this occasion.     

Electronic structure of carbon nanoparticles

The electronic structure of graphitic nanoparticles is investigated within a gauge field-theory model. The local and total densities of states (DOS) near the pentagonal defects (disclinations) are calculated for three geometries: sphere, cone, and hyperboloid. It is found that the low-energy electron states have a rather specific dependence on both the energy and the distance from a disclination line. In particular, the low-energy total DOS has a cusp that drops to zero at the Fermi energy for disclinations with the Frank index v<1/2, while a region of a nonzero DOS across the Fermi level is formed for v=1/2. The true zero-mode fermion state is found for the graphitic hyperboloid. The appearance of an enhanced charge density near the Fermi level for nanocones with a 60° opening angle (180° disclination) is predicted.     

Topology and geometry of nematic braids

Topological analysis of disclinations in nematic liquid crystals is an interesting and diverse topic that goes from strict mathematical theorems to applications in elaborate systems found in experiments and numerical simulations. The theory of nematic disclinations is shown from both the geometric and topological perspectives. Entangled disclination line networks are analyzed based on their shape and the behavior of their cross section. Methods of differential geometry are applied to derive topological results from reduced geometric information. For nematic braids, systems of −1/2 disclination loops, created by inclusion of homeotropic colloidal particles, a formalism of rewiring is constructed, allowing comparison and construction of an entire set of different conformations. The disclination lines are described as ribbons and a new topological invariant, the self-linking number, is introduced. The analysis is generalized from a constant −1/2 profile to general profile variations, while retaining the geometric treatment. The workings of presented topological statements are demonstrated on simple models of entangled nematic colloids, estimating the margins of theoretical assumptions made in the formal derivations, and reviewing the behavior of the disclinations not only under topological, but also under free-energy driven constraints.     

Diffusion-induced decay of disclinations and solid state amorphization in mechanically alloyed materials

A theoretical model is proposed which treats the diffusion-induced decay of fragment boundary disclinations as being a micromechanism for the solid state amorphization in mechanically alloyed materials. Within the framework of the suggested model the kinetics of amorphous-phase nucleation centres (spread cores of the decayed disclinations) is studied. In doing so, kinetic equations are suggested and solved, which describe the evolution of the radius of the amorphous core of the decayed disclination.     

Dislocation and disclination loops in the virtual-defect method

A method of virtual circular defect loops is developed for determining the elastic fields produced by defects in a bounded medium in the case of an axially symmetric geometry. In this method, continuously distributed virtual circular Volterra and Somigliana dislocation loops are adjusted in such a way as to satisfy the boundary conditions imposed at free surfaces and interfaces. Original calculations of the elastic fields of circular defect loops of different types are carried out. The elastic fields are found for the case of straight dislocations and disclinations in a plate that are perpendicular to the plate plane and for the case of circular disclination loops parallel to the plate plane or to an interface.     

Inclusions in Smectic C Films as Modeled by Disclinations

A simplified model of an inclusion represented by (+1)-wedge disclination and two accompanying (– 1/2)-wedge disclinations on the surface of inclusion in smectic C free standing films is used to describe the elastic interaction of inclusions. The orientation of the axis connecting positions of all three disclinations relatively to the director orientation at far distances due to elastic anisotropy is investigated. The configuration with the lowest director perturbations and the lowest anisotropy elastic energy is such that the axis connecting disclinations is parallel to the distant director orientation. The interaction between inclusions at far distances is quadrupolar. The chaining of inclusions is approximately described considering their repulsion due to molecular anchoring at inclusion surfaces.     

Models for the heavy rare earth metals and (rare earth) Fe2 compounds involving 5d and 6s electrons

A model involving 5d electrons is introduced to explain the differences between the observed saturation moments in the heavy rare earth metals and those of the corresponding tripositive ions. Atomic 5d states, whose energies are determined by 4f–5d and spin-orbit interactions, are assumed to be broadened into partly overlapping bands with individual widths of the order of 1 eV. The 5d electrons produce negative contributions to the hyperfine fields but positive or near zero contributions to the magnetic moments. It is postulated that the 5d electrons are transferred from the rare earth ions to those of the iron in the (Rare Earth) Fe₂ compounds. This leads to increases in the magnetic hyperfine fields because the negative 5d contributions are lost, but in detailed application of the model increases in the 6s contributions also play a large part. Published energy level and wave function analyses for atomic Gd, Tb, Dy, Er and Tm are used in order to apply the theory to these materials.     

Non-singular dislocation loops in gradient elasticity

Using gradient elasticity, we give in this Letter the non-singular fields produced by arbitrary dislocation loops in isotropic media. We present the ‘modified’ Mura, Peach–Koehler and Burgers formulae in the framework of gradient elasticity theory.     

The solution of a wedge disclination dipole interacting with an annular inclusion and the force acting on the disclination dipole

The interaction between a wedge disclination dipole and an elastic annular inclusion is investigated. Utilizing the Muskhelishvili complex variable method, the explicit series form solutions of the complex potentials in the matrix and the inclusion region are derived. The image force acting on the disclination dipole centre is also calculated. The influence of the location of the disclination dipole and the thickness of the annular inclusion as well as the elastic dissimilarity of materials upon the equilibrium position of the disclination dipole is discussed in detail. The results show that a stable equilibrium point of the disclination dipole near the inclusion is found for certain combinations of material constant. Moreover, the force on the disclination dipole is strongly affected by the position of the disclination dipole and the thickness of annular inclusion. The repulsion force increases （or the attraction force reduces） with the increase of the thickness of the annular inclusion. An appropriate critical value of the thickness of the annular inclusion may be found to change the direction of the force on the disclination dipole. The present solutions include previous results as special eases.