Related papers: Thermal effects connected to crystallization dynam…
Spin-lattice dynamics is used to study the magnetic properties of Fe foams. The temperature dependence of the magnetization in foams is determined as a function of the fraction of surface atoms in foams, nsurf. The Curie temperature of…
Kinetics of crystal-growth is investigated along the solid-liquid coexistence line for the (100), (110) and (111) orientations of the Lennard-Jones and Weeks-Chandler-Andersen fcc crystal-liquid interface, using non-equilibrium molecular…
We extend earlier models of the growth of a Bose-Einstein condensate to include the full dynamical effects of the thermal cloud by numerically solving a modified quantum Boltzmann equation. We determine the regime in which the assumptions…
We numerically study the dynamics of quasi-two dimensional cholesteric liquid crystal droplets in the presence of a time-dependent electric field, rotating at constant angular velocity. A surfactant sitting at droplet interface is also…
The competition between crystallization and vitrification in glass-forming materials manifests as a non-monotonic behavior in the time-temperature transformation (TTT) diagrams, which quantify the time scales for crystallization as a…
The molecular dynamics (MD) approach is an effective tool for investigating atomistic dynamical phenomena at the surface of materials under strong laser irradiation. Therefore, numerous laser ablation MD simulation studies have been…
In recent years, orientationally disordered crystals, or plastic crystals, have transformed the field of solid-state cooling due to the significant latent heat and entropy changes associated with their temperature induced molecular…
In this paper, a lattice Boltzmann model is proposed to simulate solid-liquid phase change phenomena in multiphase systems. The model couples the thermal properties of the solidification front with the dynamics of the liquid droplet…
Self-nucleation in CdZnTe crystal growth remains a significant challenge, despite numerous attempts to achieve large-grain single crystals by restricting multi-nucleation during growth process using the traveling heater method. In this…
Lattice Boltzmann simulations have become a method of choice to solve the hydrodynamic equations of motion of a number of complex fluids. Here we review some recent applications of lattice Boltzmann to study the hydrodynamics of liquid…
Folding kinetics of a lattice model of protein is studied. It uses the Random Energy Model for the intrachain couplings and a temperature dependent free energy of solvation derived from a realistic hydration model of apolar solutes. The…
The predictive modeling of lattice thermal conductivity is of fundamental importance for the understanding and design of materials for a wide range of applications. Two major approaches, namely molecular dynamics (MD) simulations and…
The temperature and pressure effects on the resistivity of the manganese oxides are studied analytically via the Kondo lattice model with a strong Hund's coupling. We obtain analytically the single-particle density of states on the Bethe…
We quantitatively characterize the metastability in a multi-phase lattice Boltzmann model. The structure factor of density fluctuations is theoretically obtained and numerically verified to a high precision, for all simulated wave-vectors…
The optical and Boltzmann conductivities have been calculated for doped buckled honeycomb lattice structures such as silicene and germanene, as functions of temperature. By making use of previous results for the temperature-dependent…
The change in the lattice parameters or the lattice disorder is claimed as a cause of the slight reduction in the transition temperature by carbon doping in MgB2. In this work, an extensive investigation on the effects of carbohydrate…
In the paper a study of a model magnetoelastic solid system is presented. The system of interest is a mean-field magnet with nearest-neighbour ferromagnetic interactions and the underlying s.c. crystalline lattice with the long-range Morse…
Static and dynamical properties of elastic phase transitions under the influence of short--range defects, which locally increase the transition temperature, are investigated. Our approach is based on a Ginzburg--Landau theory for…
We investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and…
We have studied the structure and free energy landscape of a semi-flexible lattice-polymer in the presence of a surface. At low temperatures coexistence of two-dimensional integer-folded crystals is observed. As the temperature is increased…