Related papers: Ordering kinetics in an fcc A_3B binary alloy mode…
By means of ab initio calculations based on the density functional theory we investigated magnetic phase diagram of ordered FePd$_3$ alloy as a function of external pressure. Considering several magnetic configurations we concluded that the…
Achieving the compositionally ordered state in a substitutional alloy of two or more species can often be even critical for improving its functional properties. To produce a highly ordered alloy, a longtime high-temperature (up to T=1000 K)…
Ginzburg-Landau theory describes phase transitions as the competition between energy and entropy: The ordered phase has lower energy, while the disordered phase has larger entropy. When heating the system, ordering is reduced entropically…
In this article, we present a Monte Carlo study of phase transition and coarsening dynamics in the non-conserved two-dimensional random-bond $q$-state clock model (RBCM) deriving from a pure clock model [Phys. Rev. E 98, 032109 (2018)].…
We study the out-of-equilibrium spinodal-like dynamics of three-dimensional $q$-state Potts systems driven across their thermal first-order transition in the thermodynamic limit, by a relaxational (heat-bath) dynamics. During the evolution,…
The kinetics of ordering and concurrent ordering and clustering is analyzed with an equation of motion initially developed to account for dissipative processes in quantum systems. A simplified energy eigenstructure, or…
We study the onset of spin-density wave order in itinerant electron systems via a two-dimensional lattice model amenable to numerically exact, sign-problem-free determinantal quantum Monte Carlo simulations. The finite-temperature phase…
Recent experiments discovered an order-disorder transition occuring at low temperatures in large unit 1/1 cell cubic approximants of the stable Cd-based binary alloy quasicrystals. The transition is related to correlations among…
This paper presents a theoretical model for studying the dynamics of ordering in alloys which exhibit modulated phases. The model is different from the standard time-dependent Ginzburg-Landau description of the evolution of a non-conserved…
We study phase ordering dynamics in the three-dimensional nonconserved XY model, via Monte Carlo simulations, for quenches from paramagnetic phase to certain final temperatures $T_f$ within the ferromagnetic region of the phase diagram. The…
A Monte Carlo simulation study of the vacancy-assisted domain-growth in asymmetric binary alloys is presented. The system is modeled using a three-state ABV Hamiltonian which includes an asymmetry term, not considered in previous works. Our…
In many condensed matter systems, long range order emerges at low temperatures as thermal fluctuations subside. In the presence of competing interactions or quenched disorder, however, some systems can show unusual configurations that…
(TMTTF)2AsF6 undergoes two phase transitions upon cooling from 300 K. At Tco=103 K a charge-ordering (CO) occurs, and at Tsp(B=9 T)=11 K the material undergoes a spin-Peierls (SP) transition. Within the intermediate, CO phase, the charge…
A combination of variable-temperature neutron scattering, reverse Monte Carlo analysis and direct Monte Carlo simulation is used to characterise the emergence of magnetic order in the metal--organic framework (MOF) Tb(HCOO)$_3$ over the…
Mixtures of bare atomic nuclei on a nearly uniform degenerate electron background are a realistic model of matter in the interior of white dwarfs. Despite tremendous progress in understanding their phase diagrams achieved mainly via…
We present the first systematic observation of scaling of thermal hysteresis with the temperature scanning rate around an abrupt thermodynamic transition in correlated electron systems. We show that the depth of supercooling and…
The technological performances of metallic compounds are largely influenced by atomic ordering. Although there is a general consensus that successful theories of metallic systems should account for the quantum nature of the electronic glue,…
The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and…
In this paper we show that an effective Hamiltonian fit with first principles calculations predicts an order/disorder transition occurs in the high entropy alloy MoNbTaW. Using the Alloy Theoretic Automated Toolset, we find T=0K enthalpies…
We study phase ordering dynamics in the three-dimensional nearest-neighbor Ising model, following rapid quenches from infinite to zero temperature. Results on various aspects, viz., domain growth, persistence, aging and pattern, have been…