相关论文: First Principles Phase Diagram Calculations for th…
Histogram Monte-Carlo simulation results are presented for the magnetic-field -- temperature phase diagram of the Ising model on a stacked triangular lattice with antiferromagnetic intraplane and ferromagnetic interplane interactions.…
A two-fold analysis of electromagnetic core tokamak instabilities in the framework of the gyrokinetic theory is presented. First principle theoretical foundations of the gyrokinetic theory are used to explain and justify the numerical…
We derive the phase diagram of the one-dimensional three-state Potts model with an additional mean-field interaction in the canonical ensemble. The free energy is obtained by mapping the model onto the spin-$1$ Blume-Emery-Griffiths model…
Magnetic-field -- temperature phase diagrams of the axial next-nearest-neighbor Ising model are calculated within the framework of a Landau-type expansion of the free energy derived from molecular-field theory. Good qualitative agreement is…
Motivated by recent experimental and theoretical progress on the Er2Ti2O7 pyrochlore XY antiferromagnet, we study the problem of quantum order-by-disorder in pyrochlore XY systems. We consider the most general nearest-neighbor pseudo…
A time-stepping $L1$ scheme for solving a time fractional Fokker-Planck equation of order $\alpha \in (0, 1)$, with a general driving force, is investigated. A stability bound for the semi-discrete solution is obtained for…
Motivated by recent numerical results, we study the phase diagram of the Kane-Mele-Hubbard (KHM) model, especially the nature of its quantum critical points. The phase diagram of the Kane-Mele-Hubbard model can be understood by breaking the…
The solubility and diffusivity of hydrogen in disordered Pd1-xCux alloys are investigated using a combination of first-principles calculations, a composition-dependent local cluster expansion (CDLCE) technique, and kinetic Monte Carlo…
Monolayer cluster growth in far-from-equilibrium systems is investigated by applying simulation and analytic techniques to minimal hard core particle (exclusion) models. The first model (I), for post-deposition coarsening dynamics, contains…
Using quantum Monte Carlo simulations and field-theory arguments, we study the fully frustrated (Villain) transverse-field Ising model on the square lattice. We consider a "primary" spin order parameter and a "secondary" dimer order…
The classical $J_1$-$J_2$ Ising model on the square lattice is a minimal model of frustrated magnetism whose phase boundaries have remained under scrutiny for decades. Signs of first-order phase transitions have appeared in some studies,…
A potential model for four interacting quarks is constructed in SU(2) from six basis states -- the three partitions into quark pairs, where the gluon field is either in its ground state or first excited state. With four independent…
A system of $2\times d$ hard rectangles on square lattice is known to show four different phases for $d \geq 14$. As the covered area fraction $\rho$ is increased from $0$ to $1$, the system goes from low-density disordered phase, to…
Stripe order is a prominent feature in the phase diagram of the high-temperature cuprate superconductors. It has been confirmed as the lowest-energy state of the two-dimensional Fermi Hubbard model in certain parameter regimes. Upon…
We use an extension of fundamental measure theory to lattice hard-core fluids to study the phase diagram of two different systems. First, two-dimensional parallel hard squares with edge-length $\sigma=2$ in a simple square lattice. This…
We present the first example of a phase transition in a nonequilibrium steady-state that can be argued analytically to be first order. The system of interest is a two-species reaction-diffusion problem whose control parameter is the total…
A simple model of charge ordering is considered. It is shown explicitly that at any deviation from half-filling ($n \neq 1/2$) the system is unstable with respect to phase separation into charge ordered regions with $n = 1/2$ and metallic…
Computing stationary states is an important topic for phase field crystal (PFC) models. Great efforts have been made for energy dissipation of the numerical schemes when using gradient flows. However, it is always time-consuming due to the…
In this review we focus on the determination of phase diagrams by computer simulation with particular attention to the fluid-solid and solid-solid equilibria. The calculation of the free energy of solid phases using the Einstein crystal and…
The non-Hermitian extension of quasicrystals (QC) are highly tunable system for exploring novel material phases. While extended-localized phase transitions have been observed in one dimension, quantum phase transition in higher dimensions…