Related papers: Interpretation of the Formation Volume of Defects …
We discuss the roles of continuum linear elasticity and atomistic calculations in determining the formation volume and the strain energy of formation of a point defect in a crystal. Our considerations bear special relevance to defect…
Defects determine many important properties and applications of materials, ranging from doping in semiconductors, to conductivity in mixed ionic-electronic conductors used in batteries, to active sites in catalysts. The theoretical…
The defect relaxation volumes obtained from density-functional theory (DFT) calculations of charged vacancies and interstitials are much larger than their neutral counterparts, seemingly unphysically large. In this work, we investigate the…
It has been observed in both natural and man-made materials that volume sometimes decreases with increasing temperature. Though mechanistic understanding has been gained for some individual materials, a general answer to the question "Why…
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…
By resorting to some results in quantum field theories with spontaneous breakdown of symmetry we show that an explanation based on microscopic dynamics can be given of the fact that topological defect formation is observed during the…
The presence of defects in solids formed by active particles breaks their discrete translational symmetry. As a consequence, many of their properties become space-dependent and different from those characterizing perfectly ordered…
In complex crystals close to melting or at finite temperatures, different types of defects are ubiquitous and their role becomes relevant in the mechanical response of these solids. Conventional elasticity theory fails to provide a…
We prove several inequalities estimating the distance between volumes of two bodies in terms of the maximal or minimal difference between areas of sections or projections of these bodies. We also provide extensions in which volume is…
It is shown that the results presented in the article 'The influence of the temperature and pressure on a fractal dimension of defects in crystal structures' by V.B. Fedoseev (Butlerov communications. 2010. V23. Number 14. P.36-42) are not…
We examine the molecular dynamics of crystal growth in the presence of surface melting and surface impurities, and from this propose a detailed microscopic model for the growth of ice from the vapor phase. Our model naturally accounts for…
Growing crystals form a cavity when placed against a wall. The birth of the cavity is observed both by optical microscopy of sodium chlorate crystals (NaClO$_3$) growing in the vicinity of a glass surface, and in simulations with a thin…
A dynamic symmetry-breaking transition with noise and inertia is analyzed. Exact solution of the linearized equation that describes the critical region allows precise calculation (exponent and prefactor) of the number of defects produced as…
The heat transfer (conductive, convective, radiative) and the related problems (the unknown phase boundary fluid/crystal, the assessment of the quality of the grown crystals) encountered in the melt and vapour growth of single crystal as…
A microscopic picture of the ``preparation'' of a crystal to the transition to liquid state at the approach to melting temperature is proposed. Basing on simple crystallogeometric considerations and the analysis of the computational results…
There exists, in general, no unique definition of the size (volume, area, etc., depending on dimension) of a soliton. Here we demonstrate that the geometric volume (area etc.) of a soliton is singled out in the sense that it exactly…
It has been established empirically that the rate of addition of molecules to the crystal during crystal growth from the melt is proportional to exp(-|{\Delta}S_fus|/R) where {\Delta}S_fus is the entropy of fusion. Here we show that this…
In this paper I discuss the formation of topological defects in quantum field theory and the relation between fractals and coherent states. The study of defect formation is particularly useful in the understanding of the same mathematical…
I review published data relating to the growth of ice crystals from water vapor under various conditions, and I critically examine the different measurements to determine what useful information can be extracted from each. I show that most,…
In a large variety of ideal crystals we found that when rapidly migrating atoms squash or annihilate a neighbouring vacancy and produce a disordered cluster, the heat of migration stored in the system exceeds the enthalpy increase required…