Related papers: A Sublattice Phase-Field Model for Direct CALPHAD …
Knowledge of phase diagrams is essential for material design as it helps in understanding microstructure evolution during processing. The determination of phase diagrams is thus one of the central tasks in materials science. When exploring…
We present an alternative method for describing the evolution of a mode of the quantized electromagnetic field in contact with a finite temperature thermal bath. We use the expansion of the field density operator in terms of coherent states…
The kinetics of an initially undercooled solid-liquid melt is studied by means of a generalized Phase Field model, which describes the dynamics of an ordering non-conserved field phi (e.g. solid-liquid order parameter) coupled to a…
We develop a fully-coupled, fully-implicit approach for phase-field modeling of solidification in metals and alloys. Predictive simulation of solidification in pure metals and metal alloys remains a significant challenge in the field of…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
We present a thermodynamically consistent phase-field model for simulating fluid transport across semi-permeable membranes, with a particular focus on osmotic pressure effects. The model extends the classical Navier-Stokes-Cahn-Hilliard…
The grain boundary (GB) microchemistry and precipitation behaviour in high-strength Al-Zn-Mg-Cu alloys has an important influence on their mechanical and electrochemical properties. Simulation of the GB segregation, precipitation, and…
A general procedure is established to calculate the quantum phase diagrams for finite matter-field Hamiltonian models. The minimum energy surface associated to the different symmetries of the model is calculated as a function of the…
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…
In this paper we describe a new model for solidification with heat flux using the phase field crystal (PFC) framework. The equations are thermodynamically consistent, in the sense that the time rate of change of the entropy density is…
Shape memory alloys (SMAs) exhibit hysteresis behaviors upon stress and temperature induced loadings. In this contribution, we focus on numerical simulations of microstructure evolution of cubic-to-tetragonal martensitic phase…
We present a novel approach to kinetic theory modeling enabling the simulation of a generic, real gas presented by its corresponding equation of state. The model is based on mass, momentum and energy conservation, and unlike the lattice…
Optical lattice experiments, with the unique potential of tuning interactions and density, have emerged as emulators of nontrivial theoretical models that are directly relevant for strongly correlated materials. However, so far the finite…
We present a detailed derivation and thin interface analysis of a phase-field model that can accurately simulate microstructural pattern formation for low-speed directional solidification of a dilute binary alloy. This advance with respect…
We investigate the phase diagram of the Haldane-Falicov-Kimball model -- a model combining topology, interactions and spontaneous disorder at finite temperatures. Using an unbiased numerical method, we map out the phase diagram on the…
Heat transfer involving phase change is computationally intensive due to moving phase boundaries, nonlinear computations, and time step restrictions. This paper presents a quantum lattice Boltzmann method (QLBM) for simulating heat transfer…
We introduce a nonlocal extension of the Kim-Kim-Suzuki (KKS) phase-field corrosion model aimed at bridging local and nonlocal corrosion modeling approaches, such as phase-field and peridynamic frameworks. In this formulation, classical…
Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram generation involves experimentation to provide an initial…
We study the dynamics of phase transitions in the one dimensional Bose-Hubbard model. To drive the system from Mott insulator to superfluid phase, we change the tunneling frequency at a finite rate. We investigate the build up of…
A phase-field formulation is introduced to simulate quantitatively microstructural pattern formation in alloys. The thin-interface limit of this formulation yields a much less stringent restriction on the choice of interface thickness than…