Related papers: Eighth-order phase-field-crystal model for two-dim…
Phase field crystal is a model used to describe the behavior of crystalline materials at the mesoscale. In this study, we investigate the well-posedness of a phase field crystal equation subject to a degenerate mobility $M(u)$ that equals…
Recent advances in cold atom experimentation suggest that studies of quantum two-dimensional melting of dipolar molecules, with dipoles aligned perpendicular to ordering plane, may be on the horizon. An intriguing aspect of this problem is…
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…
Using Monte Carlo simulations we study crystallization in the three-dimensional Ising model with four-spin interaction. We monitor the morphology of crystals which grow after placing crystallization seeds in a supercooled liquid. Defects in…
We point out the high physical correctness of the use and the concept of the crystal-field approach, even if is used to metallic magnetic materials of transition-metal 3d/4f/5f compounds. We discuss the place of the crystal-field theory in…
While performing molecular dynamics simulations of a simple monatomic liquid, we observed the crystallization of a material displaying octagonal symmetry in its simulated diffraction pattern. Inspection of the atomic arrangements in the…
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…
Even though our theoretical understanding of dendritic solidification is relatively well developed, our current ability to model this process quantitatively remains extremely limited. This is due to the fact that the morphological…
Understanding the microstuctural evolution during the sintering process is of high relevance as it is a key part in many industrial manufacturing processes. Simulations are one avenue to achieve this understanding, especially field-resolved…
Dendritic crystal growth in a pure undercooled melt is simulated quantitatively in three dimensions using a phase-field approach. The full non-axisymmetric morphology of the steady-state dendrite tip and $\sigma^*$ are determined as a…
Results are presented from numerical experiments aiming at the computation of stochastic phase-field models for phase transformations by coarse-graining molecular dynamics. The studied phase transformations occur between a solid crystal and…
We present a phase-field model for simulating the solid-state dewetting of anisotropic crystalline films on non-planar substrates. This model exploits two order parameters to trace implicitly the crystal free surface and the substrate…
We present a technique for analyzing the full three-dimensional density profiles of a planar crystal-fluid interface in terms of density modes. These density modes can also be related to crystallinity order parameter profiles which are used…
Structural aspects of crystal nucleation in undercooled liquids are explored using a nonlinear hydrodynamic theory of crystallization proposed recently [G. I. Toth et al., J. Phys.: Condens. Matter 26, 055001 (2014)], which is based on…
We implement an adaptive mesh algorithm for calculating the space and time dependence of the atomic density field during materials processing. Our numerical approach uses the systematic renormalization-group formulation of the phase field…
We study a quasi-two-dimensional macroscopic system of magnetic spherical particles settled on a shallow concave dish under a temporally oscillating magnetic field. The system reaches a stationary state where the energy losses from…
X-ray diffraction, UV-vis absorption and photoluminescence (PL) spectroscopy have been used to study the well-known order-disorder transition (ODT) to the beta phase in poly(9,9-(di n,n-octyl)fluorene)) (PF8) thin film samples through…
The four-state model is proposed for description of phase transition in ferroelectric crystals of DMAGaS and DMAAlS type. Thermodynamical functions of the model are obtained in the mean field approximation. The phase transition between…
We report on the development and application of a parametrized crystal-field model for both C$_{1}$ symmetry centers in trivalent erbium-doped Y$_{2}$SiO$_{5}$. High resolution Zeeman and temperature dependent absorption spectroscopy was…
Phase-Field Crystal (PFC) models are able to resolve atomic length scale features of materials during temporal evolution over diffusive time scales. Traditional PFC models contain solid and liquid phases, however many important materials…