We have studied the effect of hydrogen on the cohesion of two types of dislocation in bcc iron at an atomistic level, using the atom superposition and electron delocalization molecular orbital (ASED-MO) method. The most stable positions for one hydrogen at each dislocation core were determined....

Field-ion microscopy and molecular dynamics simulation were used for the characterization of the translation states at special grain boundaries in tungsten. It is revealed that rigid-body displacement had the component of displacement parallel to the [110] direction equal to 0 or 1 interplanar...

Phase field models of solidification have been extended to include grain boundaries, using a variety of techniques. A model developed by Kobayashi et al. [Physica D 140 (2000) 141] has been used to model a host of physical phenomena, but has so far been confined to two dimensions. In this letter...

The equilibrium shape of a crystal in an infinite or a semi-infinite system has been known for decades. Here, we consider shapes of droplets which straddle two semifinite systems, joint at a planar, common boundary, such as a grain boundary of twinned crystals. For arbitrary anisotropic surface...

Early time kinetics of a system with conserved order parameter quenched into unstable two-phase region of the phase diagram is considered. We study the influence of random inhomogeneities of the order parameter distribution, present already in the system before the quench, on the process of...

A study of a phase separation process in stochastic systems with a field dependent kinetic coefficient and an internal multiplicative noise is presented. Dynamics of spinodal decomposition at early and late stages is investigated by computer simulations where the domain growth law is...

Spinodal decomposition in a three-dimensional Lennard–Jones system with one million particles is studied via molecular dynamics simulations. The interfacial width in the system is about 40 times smaller than the linear system dimension, i.e., the system size therefore is comparable to recent...

Thermally induced coupling of gelation and phase separation in polysaccharide aqueous solutions has a complex feature because of critical and tricritical phenomena, thermally induced hydrophobic interaction, and molecular-weight distribution of the polysaccharide. To elucidate the process, the...

We review our understanding of surface-directed spinodal decomposition (SDSD), i.e., the interplay of wetting and phase separation in an unstable AB mixture placed in contact with a wetting surface. In this context, we present results for two problems, viz., SDSD in a semi-infinite geometry with...

A model for diffusion and phase separation which takes into account exponential relaxation of the solute diffusion flux and its fluctuations is developed. The model describes a system undergoing phase separation governed by a partial differential equation of hyperbolic type. The analysis is done...