Related papers: Simulating complex crystal structures using the ph…
Phase decomposition is a well-known process leading to the formation of two-phase mixtures. Here we show that a strain imposed on a ferroelastic crystal promotes the formation of mixed phases and domains, i.e., domain and phase de-strain…
The design of crystal materials plays a critical role in areas such as new energy development, biomedical engineering, and semiconductors. Recent advances in data-driven methods have enabled the generation of diverse crystal structures.…
Mechanical contact between solids is almost exclusively modeled in Lagrangian frameworks. While these frameworks have been developed extensively and applied successfully to numerous contact problems, they generally require complex…
Recent advances in classical density functional theory are combined with stochastic process theory and rare event techniques to formulate a theoretical description of nucleation, including crystallization, that can predict nonclassical…
We demonstrate the use of the Fast Fourier Transform Beam Propagation Method (FFT BPM) to simulate dynamic diffraction effects, including scattering from deformed crystals with arbitrary shapes in Bragg, Laue, and asymmetric geometries. The…
We report an extension of the source imaging method for analyzing three-dimensional sources from three-dimensional correlations. Our technique consists of expanding the correlation data and the underlying source function in spherical…
An overview of results of models of coupled quantum rotors is presented. We focus on rotors with dipolar and quadrupolar potentials in two and three dimensions, potentials which correspond to approximate descriptions of real molecules…
Optical phase-matching involves establishing a proper phase relationship between the fundamental and generated waves to enable efficient optical parametric processes. It is typically achieved through either birefringence or periodically…
A mean-field density-functional model for three-phase equilibria in fluids (or other soft condensed matter) with two spatially varying densities is analyzed analytically and numerically. The interfacial tension between any two out of three…
Using a phase field crystal model we study the structure and dynamics of a drop of colloidal suspension during evaporation of the solvent. We model an experimental system where contact line pinning of the drop on the substrate is…
Solving crystal structures from kinematical X-ray or electron diffraction patterns of single crystals requires many more diffracted beams to be recorded than there are atoms in the structure, since the phases of the structure factors can…
We describe a new, biased Monte Carlo scheme to determine the crystal structures of zeolites from powder diffraction data. We test the method on all publicly known zeolite materials, with success in all cases. We show that the method of…
We consider phase separation on the strip for the two-dimensional Ising model in the near-critical region. Within the framework of field theory, we find exact analytic results for certain two- and three-point correlation functions of the…
Methodology is presented for analysis of three-particle correlation functions obtained in heavy ion collisions at ultra-relativistic energies. We show that harmonic correlations can be removed and jet driven correlations reliably extracted.…
Two-dimensional lead halide perovskites are promising materials for optoelectronics due to the tunability of their properties with the number of lead halide layers and the choice of an organic spacer. Physical understanding for the rational…
Standard procedures for local crystal-structure optimisation involve numerous energy and force calculations. It is common to calculate an energy-volume curve, fitting an equation of state around the equilibrium cell volume. This is a…
In this note we present a simple method of constructing general conformally invariant three point functions of operators of various spins in three dimensions. Upon further imposing current conservation conditions, we find new parity…
In this article, we discuss the stability of soft quasicrystalline phases in a coupled-mode Swift-Hohenberg model for three-component systems, where the characteristic length scales are governed by the positive-definite gradient terms.…
A method for calculating pair correlation functions in a crystal is developed. The method is based on separating the one- and two- particle correlation functions into the symmetry conserving and the symmetry broken parts. The conserving…
A new approximating technique is developed so as to study the quantum ferromagnetic spin-1 Blume-Capel model in the presence of a transverse crystal field in the square lattice. Our proposal consists of approaching the spin system by…