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Point-like topological defects are singular configurations that occur in a variety of in and out of equilibrium systems with two-dimensional orientational order. As they are associated with a nonzero circuitation condition, the presence of…
We give a brief review of some generalized continuum theories applied to the crystals with complicated microscopic structure. Three different ways of generalization of the classical elasticity theory are discussed. One is the high-gradient…
A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain…
A two-dimensional or quasi-two-dimensional nematic liquid crystal refers to a surface confined system. When such a system is further confined by external line boundaries or excluded from internal line boundaries, the nematic directors form…
Defects arise when nematic liquid crystals are under topological constraints at the boundary. Recently the study of defects has drawn a lot of attention. In this paper, we investigate the relationship between two-dimensional defects and…
Recent progress in approaches to determine the elastic constants of solids starting from the microscopic particle interactions is reviewed. On the theoretical side, density functional theory approaches are discussed and compared to more…
We compare two high order finite-difference methods that solve the elastic wave equation in two dimensional domains with curved boundaries and material discontinuities. Two numerical experiments are designed with focus on wave boundary…
Many real objects are modeled as discrete sets of points, such as corners or other salient features. For our main applications in chemistry, points represent atomic centers in a molecule or a solid material. We study the problem of…
We derive the multi-field, micropolar-type continuum theory for the two-dimensional model of crystal having finite-size particles. Continuum theories are usually valid for waves with wavelength much larger than the size of primitive cell of…
The continuum mechanics of line defects representing singularities due to terminating discontinuities of the elastic displacement and its gradient field is developed. The development is intended for application to coupled phase…
We present a finite element discretisation to model the interaction between a poroelastic structure and an elastic medium. The consolidation problem considers fully coupled deformations across an interface, ensuring continuity of…
We consider an isolated point defect embedded in a homogeneous crystalline solid. We show that, in the harmonic approximation, a periodic supercell approximation of the formation free energy as well as of the transition rate between two…
We demonstrate that the spatial correlations of microscopic stresses in 2D model colloidal gels obtained in computer simulations can be quantitatively described by the predictions of a theory for emergent elasticity of pre-stressed solids…
The vortex-like solutions are studied in the framework of the gauge model of disclinations in elastic continuum. A complete set of model equations with disclination driven dislocations taken into account is considered. Within the linear…
Calculating the vibrational entropy of an N-atom assembly in the harmonic approximation requires the diagonalisation of a large matrix. This operation becomes rapidly time consuming when increasing the dimensions of the simulation cell. In…
We analyze a model problem based on highly disparate elastic constants that we propose in order to understand corners and cusps that form on the boundary between the nematic and isotropic phases in a liquid crystal. For a bounded planar…
A model for two-dimensional colloids confined laterally by "structured boundaries" (i.e., ones that impose a periodicity along the slit) is studied by Monte Carlo simulations. When the distance D between the confining walls is reduced at…
Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…
How condensed-matter simulations depend on the number of molecules being simulated ($N$) is sometimes itself a valuable piece of information. Liquid crystals provide a case in point. Light scattering and $2d$-IR experiments on…
We consider scattering of elastic waves on parallel wedge dislocations in the geometric theory of defects or, equivalently, scattering of point particles and light rays on cosmic strings. Dislocations are described as torsion singularities…