Related papers: Chemical ordering beyond the superstructure in lon…
Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered $\delta$ phase to the orientationally disordered $\gamma$ phase. An effective pair potential is used to model the interaction…
We develop a theoretical method within the framework of relativistic many-body theory to accurately treat correlation corrections in atoms with few valence electrons. This method combines the all-order approach currently used in precision…
We theoretically and numerically investigate a two-dimensional O(2) model where an order parameter is convected by shear flow. We show that a long-range phase order emerges in two dimensions as a result of anomalous suppression of phase…
We present a two-level preconditioner for solving linear systems arising from the discretization of the elliptic, linear-elastic deformation equation, in displacement unknowns, over domains that have arbitrary geometric and topological…
A new approach in the investigation of the order parameter behaviour near ferroelectric phase transition point is suggested. The short range and dipole interactions between particles are taken into account. The logarithmic corrections and…
Equilibrium statistical ensembles impose stringent constraints on phases of quantum matter. For example, the Mermin-Wagner theorem prohibits long-range order in low-dimensional systems beyond the ground state. Here, we show that quantum…
A ubiquitous approach to obtain transferable machine learning-based models of potential energy surfaces for atomistic systems is to decompose the total energy into a sum of local atom-centred contributions. However, in many systems…
Quantum gas microscopy has developed into a powerful tool to explore strongly correlated quantum systems. However, discerning phases with topological or off-diagonal long range order requires the ability to extract these correlations from…
We consider partially ordered sets of combinatorial structures under consecutive orders, meaning that two structures are related when one embeds in the other such that `consecutive' elements remain consecutive in the image. Given such a…
Transport phenomena are studied for a binary (AB) alloy on a rigid square lattice with nearest-neighbor attraction between unlike particles, assuming a small concentration $c_v$ of vacancies $V$ being present, to which $A(B)$ particles can…
Many disordered crystalline materials show chemical short range order and relaxation of neighboring atoms. Local structural information can be obtained by analyzing the atomic pair distribution function (PDF). The viability of reverse Monte…
From consideration of the order-parameter distribution, we propose an observable which makes a clear distinction between true and quasi long-range orders in the two-dimensional generalized $q$-state clock model. Measuring this quantity by…
An approach to analyse the properties of a particle system is to compare it with different processes to understand when one of them is larger than other ones. The main technique for that is coupling, which may not be easy to construct. We…
The development of high-performance materials for microelectronics, energy storage, and extreme environments depends on our ability to describe and direct property-defining microstructural order. Our present understanding is typically…
The phase coexistence of chemically ordered L1_0 and chemically disordered structures within binary alloys is investigated, using the NiMn system as an example. Theoretical and numerical predictions of the signatures one might expect in…
Monte Carlo simulations are performed on the three-dimensional (3D) Ising model with the 2-1-4 layered perovskite structure as a minimal model for checkerboard charge ordering phenomena in layered perovskite oxides. Due to the interlayer…
In this work, we study some general property of a strongly correlated electron system defined on a lattice. Assuming that the lattice system exhibits off-diagonal long range order, we show rigorously that this assumption would lead to…
In this paper I propose a new model for representing the formation energies of multicomponent crystalline alloys as a function of atom types. In the cases when displacements of atoms from their equilibrium positions are not large, the…
Monte Carlo simulations are used to show that the steady state of the d=2, two-temperature, diffusive XY model displays a continuous phase transition from a homogeneous disordered phase to a phase with long-range order. The long-range order…
The size and complexity of software and hardware systems have significantly increased in the past years. As a result, it is harder to guarantee their correct behavior. One of the most successful methods for automated verification of…