Related papers: Thermodynamic modeling of the Hf-Si-O system
The self-consistent theory of the correlation effects in Highly Correlated Systems(HCS) is presented. The novel Irreducible Green's Functions(IGF) method is discused in detail for the Hubbard model and random Hubbard model. The…
In the present study, two-different reduced-order models are proposed for $\text{H}_2\left(\text{X}^1\Sigma_g^+\right)$+$\text{H}\left({}^2\text{S}\right)$ system by leveraging first-principle quasi-classical trajectory simulations and…
We present detailed calculations at the basis of our recent proposal for simultaneous cooling the rotational, vibrational and external molecular degrees of freedom. In this method, the molecular rovibronic states are coupled by an intense…
The Cahn--Hilliard equation is one of the most common models to describe phase separation processes of a mixture of two materials. For a better description of short-range interactions between the material and the boundary, various dynamic…
Torsional oscillator (TO) is an experimental technique which is widely used to investigate superfluid responses in helium systems confined in porous materials or adsorbed on substrates. In these systems, heat capacity (HC) is also an…
The Cahn-Hilliard system has been used to describe a wide number of phase separation processes, from co-polymer systems to lipid membranes. In this work the convergence properties of a closest-point based scheme is investigated. In place of…
A basic model of hydrogen bonds related to $\rm{H}_2\rm{O}$, which is adapted from the Jaynes--Cummings model, is suggested, and its different dynamic features are studied theoretically. In this model, the making and breaking of hydrogen…
We develop a perturbation theory of quantum (and classical) master equations with slowly varying parameters, applicable to systems which are externally controlled on a time scale much longer than their characteristic relaxation time. We…
The thermodynamics and the dynamics of particle systems with infinite-range coupling display several unusual and new features with respect to systems with short-range interactions. The Hamiltonian Mean Field (HMF) model represents a…
In this paper we discuss the application of current it ab initio computer simulation techniques to hydrogenated amorphous silicon (a-Si:H). We begin by discussing thermal fluctuation in the number of coordination defects in the material,…
A new model is proposed for fusion mechanisms of massive nuclear systems where so-called fusion hindrance exists. The model describes two-body collision processes in an approaching phase and shape evolutions of an amalgamated system into…
Hybrid modeling, the combination of first principle and machine learning models, is an emerging research field that gathers more and more attention. Even if hybrid models produce formidable results for academic examples, there are still…
Using the molecular dynamics method, dynamics of hydrogen bond (HB) networks emerging on the surface of a graphene sheet during its functionalization with hydroxyl groups OH are simulated. It is demonstrated that two OH groups form an…
Quantum optomechanical system serves as an interface for coupling between photons and phonons due to mechanical oscillations. We used the Heisenberg-Langevin approach under Markovian white noise approximation to study a quadratically…
An overview of theoretical results and experimental data on the thermodynamics, structure and dynamics of the heterophase glass-forming liquids is presented. The theoretical approach is based on the mesoscopic heterophase fluctuations model…
Using the strong coupling diagram technique equations are derived for hole Green's functions of the three-band Hubbard model, which describes Cu-O planes of high-$T_c$ cuprates. The equations are self-consistently solved in the…
Stochastic Spatio-Temporal processes are prevalent across domains ranging from modeling of plasma to the turbulence in fluids to the wave function of quantum systems. This letter studies a measure-theoretic description of such systems by…
Various algebraic structures of degenerate four-wave mixing equations of optical phase conjugation are analyzed. Two approaches (the spinorial and the Lax-pair based), complementary to each other, are utilized for a systematic derivation of…
We review some of the most recent results on the dynamics of the Hamiltonian Mean Field (HMF) model, a systems of N planar spins with ferromagnetic infinite-range interactions. We show, in particular, how some of the dynamical anomalies of…
In this paper, we consider the numerical approximations for the commonly used binary fluid-surfactant phase field model that consists two nonlinearly coupled Cahn-Hilliard equations. The main challenge in solving the system numerically is…