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We analyze the possible phase diagrams of a simple model for an associating liquid proposed previously. Our two-dimensional lattice model combines oreintati onal ice-like interactions and \"{}Van der Waals\"{} interactions which may be…
Simulations of relativistic heavy-ion collisions within the three-fluid model employing a purely hadronic equation of state (EoS) and two versions of the EoS involving deconfinement transition are presented. The latter are an EoS with the…
We investigate the effects of electronic correlations on the Bernevig-Hughes-Zhang model using the real-space density matrix renormalization group (DMRG) algorithm. We introduce a method to probe topological phase transitions in systems…
Contours associated to many interesting low-temperature statistical mechanics models (2D Ising model, (2+1)D SOS interface model, etc) can be described as self-interacting and self-avoiding walks on $\mathbb Z^2$. When the model is defined…
There are strong evidences that the melting in two dimensions depends crucially on the form and range of the interaction potentials between particles. We study with Monte Carlo simulations the phase diagram and the melting of a monolayer of…
The effects of electronic correlations and orbital degeneracy on thermoelectric properties are studied within the context of multi-orbital Hubbard models on different lattices. We use dynamical mean field theory with iterative perturbation…
We have calculated elastic and state-resolved inelastic cross sections for cold and ultracold collisions in the Rb($^1 S$) + OH($^2 \Pi_{3/2}$) system, including fine-structure and hyperfine effects. We have developed a new set of five…
We compare theoretical and simulation results for static and dynamic properties for a model of particles interacting via a spherically symmetric repulsive ramp potential. The model displays anomalies similar to those found in liquid water,…
We study simple lattice systems to demonstrate the influence of interpenetrating bond networks on phase behavior. We promote interpenetration by using a Hamiltonian with a weakly repulsive interaction with nearest neighbors and an…
The solid-liquid phase-diagram of charge-stabilized colloidal suspensions is calculated using a technique that combines a continuous Poisson-Boltzmann description for the microscopic electrolyte ions with a molecular-dynamics simulation for…
Theoretical results regarding two-dimensional ordinary-differential equations (ODEs) with second-degree polynomial right-hand sides are summarized, with an emphasis on limit cycles, limit cycle bifurcations and multistability. The results…
Problems of temperature behavior of specific heat are solved by the entropy simulation method for Ising models on a simple square lattice and a square spin ice (SSI) lattice with nearest neighbor interaction, models of hexagonal lattices…
We study the phase behavior of solutions consisting of positive and negative ions of valence z to which a third ionic species of valence Z>z is added. Using a discretized Debye-Hueckel theory, we analyze the phase behavior of such systems…
The high-energy repulsive interaction between nuclei at distances much smaller than the equilibrium bond length is the key quantity determining the nuclear stopping power and atom scattering in keV and MeV radiation events. This interaction…
We investigate the Emery model on several ladder-like lattices including two legs of copper d-orbitals and various numbers of oxygen p-orbitals. Pair binding energy, pair spatial structure, density distribution, and pairing correlation…
Using first-principles calculations and Boltzmann theory, we explore the feasibility to maximize the thermoelectric figure of merit (ZT) of topological insulator Bi2Te3 films in the few-quintuple layer regime. We discover that the delicate…
Metal-oxide sensors are widely used due to their sensitivities to different types of gaseous, and these sensors are suitable for long-term applications, even in the presence of corrosive environments. However, the microscopic mechanisms…
We study the $O(n)$ loop model on the honeycomb lattice with open boundary conditions. Reflection matrices for the underlying Izergin-Korepin $R$-matrix lead to three inequivalent sets of integrable boundary weights. One set, which has…
We examine metastable configurations of a two-dimensional system of interacting particles on a quenched random potential landscape and ask how the configurational pair correlation function is related to the particle interactions and the…
We study a system of hard-core bosons on a two-dimensional periodic honeycomb lattice subjected to an on-site potential with alternating signs along $y$-direction, using machine learning (ML) techniques. The model hosts a rich phase diagram…