Related papers: A Massively Parallel Time Domain Phase Field Model…
In this paper, we present a parallel numerical algorithm for solving the phase field crystal equation. In the algorithm, a semi-implicit finite difference scheme is derived based on the discrete variational derivative method. Theoretical…
The dynamics of a multiferroic domain wall in which an electric field can couple to the magnetization via inhomogeneous magnetoelectric interaction is investigated by the collective-coordinate framework. We show how the electric field is…
A simple model to reproduce strong enhancement of dielectric response near the morphotropic phase boundary (MPB) is proposed. This model consists of long-range dipole-dipole interaction and compositional chemical disorder incorporated by…
We study domain patterns in cubic-tetragonal ferroelastics by solving numerically equations of motion derived from a Landau model of the phase transition, including dissipative stresses. Our system sizes, of up to 256^3 points, are large…
We present a phase field crystal model for driven systems which describes competing effects between thermally activated diffusional processes and those driven by externally imposed ballistic events. The model demonstrates how the mesoscopic…
Parafermions are exotic quasiparticles with non-Abelian fractional statistics that can be realized and stabilized in 1-dimensional models that are generalizations of the Kitaev p-wave wire. We study the simplest generalization, i.e. the…
We present a scalable, parallel implementation of a solver for the solution of a phase-field model for quasi-static brittle fracture. The code is available as open source. Numerical solutions in 2d and 3d with adaptive mesh refinement show…
Ultra-dense domain walls are increasingly important for many devices but their microscopic properties are so far not fully understood. Here we use molecular dynamic simulations to study the domain wall stability in the prototypical…
We analyze theoretically the finite-temperature polarization dynamic in displacive-type ferroelectrics. In particular we consider the thermally-activated switching time of a single-domain ferroelectric polarization studied by means of the…
Ferroelectric films usually have phase states and physical properties very different from those of bulk ferroelectrics. Here we propose free-standing ferroelectric-elastic multilayers as a bridge between these two material systems. Using a…
To model mechanically-driven phase transformations using the phase-field theory, suitable models are needed for describing the mechanical fields related to individual phase-fields in the interfacial regions. They play a crucial role in…
A theory to describe the dielectric anomalies and the ferroelectric phase transition induced by oxygen isotope replacement in SrTiO$_3$ is developed. The proposed model gives consistent explanation between apparently contradictory…
The realization of a spontaneous macroscopic ferroelectric order in fluids of anisotropic mesogens is a topic of both fundamental and technological interest. Recently, we demonstrated that a system of dipolar achiral disklike ellipsoids can…
Macroscopic properties of multiferroics, the systems that show simultaneously two types of ordering, could be controlled by the external fields of different nature. We analyze the behavior of multiferroics with antiferro-(AFM) and…
Reversible ferroelectric domain wall movements beyond the 10 nm range associated with Rayleigh behavior are usually restricted to specific defect-engineered systems. Here, we demonstrate that such long-range movements naturally occur in the…
Phase field simulations play a key role in the understanding of microstructure evolution in additive manufacturing. However, they have been found extremely computationally expensive. One of the reasons is the small time step requirement to…
We present a multiscale modeling approach that concurrently couples quantum mechanical, classical atomistic and continuum mechanics simulations in a unified fashion for metals. This approach is particular useful for systems where chemical…
Heavy fermion materials are compounds in which localized $f$-orbitals hybridize with delocalized $d$ ones, leading to quasiparticles with large renormalized masses. The presence of strongly correlated $f$-electrons at the Fermi level may…
The phase diagram at zero temperature of a lattice SU(2) scalar-fermion model in (2+1) dimensions is studied numerically and with Mean-Field methods. Special attention is devoted to the strong coupling regime. We have developed a new method…
A self-consistent stochastic model of domain structure formation in a uniaxial ferroelectric, quenched from a high-temperature paraelectric phase to a low-temperature ferroelectric phase, is developed with an account of the applied electric…