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Phase field modeling of domain structures in ferroelectrics nanorods of different shape and sizes is presented. The vortex domain configurations in confined ferroelectrics have been explored by varying the ratio of the energies of…

Materials Science · Physics 2007-06-25 Julia Slutsker , Andrei Artemev , Alexander L. Roytburd

The quantitative phase-field approach has been adapted to model solidification in the presence of Metal Matrix Nanocomposites (MMNCs) in a single-component liquid. Nanoparticles of fixed size and shape are represented by additional fields.…

Materials Science · Physics 2014-06-11 Tamás Pusztai , László Rátkai , Attila Szállás , László Gránásy

A class of models of driven diffusive systems which is shown to exhibit phase separation in $d=1$ dimensions is introduced. Unlike all previously studied models exhibiting similar phenomena, here the phase separated state is fluctuating in…

Statistical Mechanics · Physics 2009-11-07 Y. Kafri , E. Levine , D. Mukamel , G. M. Schutz , R. D. Willmann

We extend the phase field crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of…

Computational Physics · Physics 2009-02-10 Pak Yuen Chan , Nigel Goldenfeld , Jon Dantzig

The influence of an external field acting differently on the two constituents of a binary colloidal mixture performing Brownian dynamics is investigated by computer simulations and a simple theory. In our model, one half of the particles…

Soft Condensed Matter · Physics 2009-11-07 J. Dzubiella , H. Loewen

Understanding the dynamic behavior of the domain structure is critical to the design and application of super-elastic freestanding ferroelectric thin films. The phase-field simulation is currently a powerful tool for observing, exploring,…

Materials Science · Physics 2022-08-19 Changqing Guo , Houbing Huang

A thermodynamically consistent multiphase phase-field approach for stress and temperature-induced martensitic phase transformation at the nanoscale and under large strains is developed. A total of N independent order parameters are…

Materials Science · Physics 2023-01-25 Anup Basak , Valery I. Levitas

We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure…

Materials Science · Physics 2015-06-12 Nana Ofori-Opoku , Vahid Fallah , Michael Greenwood , Shahrzad Esmaeili , Nikolas Provatas

In this work, a theoretical study of phase equilibrium in mixtures of a calamitic nematic liquid crystal and hard spherical nanoparticles is presented. A mean-field thermodynamic model is used, where the interactions are considered to be…

Materials Science · Physics 2013-11-22 Ezequiel R. Soulé , Linda Reven , Alejandro D. Rey

We investigate a phase-field-crystal model for homogeneous nucleation. Instead of solving the time evolution of a density field towards equilibrium we use a String Method to identify saddle points in phase space. The saddle points allow to…

Statistical Mechanics · Physics 2014-07-04 Rainer Backofen , Axel Voigt

A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description.…

Materials Science · Physics 2020-10-21 Zi-Le Wang , Zhirong Liu , Zhi-Feng Huang , Wenhui Duan

We introduce a mesocopic modeling approach for active systems. The continuum model allows to consider microscopic details as well as emerging macroscopic behavior and can be considered as a minimal continuum model to describe generic…

Soft Condensed Matter · Physics 2016-08-24 Francesco Alaimo , Simon Praetorius , Axel Voigt

The phase-field crystal model (PFC) describes crystal structures at diffusive timescales through a periodic order parameter representing the atomic density. One of its main features is that it naturally incorporates elastic and plastic…

Materials Science · Physics 2023-07-07 Maik Punke , Vidar Skogvoll , Marco Salvalaglio

Phase field models have been applied in recent years to grain boundaries in single-component systems. The models are based on the minimization of a free energy functional, which is constructed phenomenologically rather than being derived…

Materials Science · Physics 2009-11-13 Gunnar Pruessner , A. P. Sutton

We extend the phase field crystal method for nonequilibrium patterning to stochastic systems with external source where transient dynamics is essential. It was shown that at short time scales the system manifests pattern selection…

Statistical Mechanics · Physics 2011-01-18 D. Kharchenko , V. Kharchenko , I. Lysenko

Crystallization of supersaturated liquids usually starts by heterogeneous nucleation. Mounting evidence shows that even homogeneous nucleation in simple liquids takes place in two steps; first a dense amorphous precursor forms, and the…

Materials Science · Physics 2014-07-15 László Gránásy , Frigyes Podmaniczky , Gyula I. Tóth , György Tegze , Tamás Pusztai

We investigate the driven states of a two-dimensional crystal whose ground state can be tuned through a square-triangular transition. The depinning of such a system from a quenched random background potential occurs via a complex sequence…

Statistical Mechanics · Physics 2009-11-11 Ankush Sengupta , Surajit Sengupta , Gautam I. Menon

In this paper we report on 2D numerical simulations concerning linear and nonlinear evolution of surface-tension-driven instability in two-fluid systems heated from below using classical and phase-field models. In the phase-field formalism,…

Pattern Formation and Solitons · Physics 2015-06-26 Rodica Borcia , Domnic Merkt , Michael Bestehorn

A recently introduced active phase field crystal model describes the formation of ordered resting and traveling crystals in systems of self-propelled particles. Increasing the active drive, a resting crystal can be forced to perform…

Soft Condensed Matter · Physics 2014-02-18 Andreas M. Menzel , Takao Ohta , Hartmut Löwen

During phase transitions certain properties of a material change, such as composition field and lattice-symmetry distortions. These changes are typically coupled, and affect the microstructures that form in materials. Here, we propose a 2D…

Materials Science · Physics 2018-04-25 Ananya Renuka Balakrishna , W. Craig Carter