Related papers: Phase-Field Reaction-Pathway Kinetics of Martensit…
Using an analytically tractable lattice model for reaction-diffusion processes of hard-core particles we demonstrate that under nonequilibrium conditions phase coexistence may arise even if the system is effectively one-dimensional as e.g.…
The family of autonomous reaction-diffusion models on a one-dimensional lattice with boundaries is studied. By autonomous, it is meant that the evolution equation for n-point functions contain only n- or less- point functions. It is shown…
Modelling fracture behavior of the shape memory alloy (SMA) that interacts with martensitic transformation and the associated elastocaloric effect (eCE) still remains challenging. Herein, a thermo-mechanically coupled phase-filed fracture…
Phase field crystal (PFC) models constitute a field theoretical approach to solidification, melting and related phenomena at atomic length and diffusive time scales. One of the advantages of these models is that they naturally contain…
We study the quantum and thermal phase transition phenomena of the SU(3) Heisenberg model on triangular lattice in the presence of magnetic fields. Performing a scaling analysis on large-size cluster mean-field calculations endowed with a…
The kinetic behavior of a phase field model of electrochemistry is explored for advancing (electrodeposition) and receding (electrodissolution) conditions in one dimension. We described the equilibrium behavior of this model in [J. E.…
Using classical molecular dynamics simulations, we study austenite to ferrite phase transformation in iron, focusing on the role of interface morphology. We compare two different morphologies; a \textit{flat} interface in which the two…
The electronic and magnetic properties of BaTi$_{2}$As$_{2}$O have been investigated using both the first-principles and analytical methods. The full-potential linearized augmented plane-wave calculations show that the most stable state is…
A multiscale scheme combining molecular dynamics (MD) and microscopic phase-field theory is proposed to study the structural phase transformations in solids with inhomogeneous strain field. The approach calculates strain response based on…
We develop a phase-field model of eutectic growth that uses three phase fields, admits strictly binary interfaces as stable solutions, and has a smooth free energy functional. We use this model to simulate oscillatory limit cycles in…
We discuss a new mechanism leading to a matrix product form for the stationary state of one-dimensional stochastic models. The corresponding algebra is quadratic and involves four different matrices. For the example of a…
In this work, we present a variational and quantitative phase-field model for non-isothermal sintering processes. The model is derived via an extended non-diagonal phase-field model. The model evolution equations have naturally…
The reverse martensitic ("austenitic") transformation upon heating of equiatomic nickel-titanium nanoparticles with diameters between 4 and 17 nm is analyzed by means of molecular-dynamics simulations with a semi-empirical model potential.…
The classical phase-field modeling approaches for multiphase problems represent each phase using a regularized characteristic function, which necessarily introduces a simplex constraint for the phase-field variables. Additionally, the…
We have studied the Devonshire-Landau potential underlying the phase transition sequence of BaTiO3 using the first-principles effective Hamiltonian of Zhong, Vanderbilt, and Rabe [Phys. Rev. Lett. 73, 1861 (1994)], which has been very…
The identification and use of reversible Martensitic transformations, typically described as shape memory transformations, as a new class of solid-solid phase change material is experimentally demonstrated here for the first time. To prove…
We discuss an active phase field crystal (PFC) model that describes a mixture of active and passive particles. First, a microscopic derivation from dynamical density functional theory (DDFT) is presented that includes a systematic treatment…
The martensitic transformation in new-type all-d-metal Heusler alloys Pd2MnTi and Pt2MnTi have been investigated based on first-principles investigations. The calculated results indicate that the martenstic transformation have great…
This paper concludes a three-part effort aimed at developing a consistent and unified framework for the phase-field modeling of cohesive fracture. Building on the theoretical foundations established in the first two parts, which included a…
A stochastic model of electric field-driven polarization reversal in orthorhombic ferroelectrics is advanced, providing a description of their temporal electromechanical response. The theory accounts for all possible parallel and sequential…