Related papers: Quasi-Chemical Theory and Implicit Solvent Models …
Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum…
As a competitive recovery method for heavy oil, In-Situ Combustion (ISC) shows its great potential accompanied by technological advances in recent years. Reservoir simulation will play an indispensable role in the prediction of the…
We developed a new physical model to predict macroscopic properties of inorganic molten systems using a realistic description of inter-atomic interactions. Unlike the conventional approach, which tends to overestimate viscosity by several…
This contribution deals with the modeling of collisional multicomponent magnetized plasmas in thermal and chemical nonequilibrium aiming at simulating and predicting magnetic reconnections in the chromosphere of the sun. We focus on the…
In study of pseudo(quasi)-hermitian operators, the key role is played by the positive-definite metric operator. It enables physical interpretation of the considered systems. In the article, we study the pseudo-hermitian systems with…
We use quasiparticle anisotropic hydrodynamics to study an azimuthally-symmetric boost-invariant quark-gluon plasma including the effects of both shear and bulk viscosities. In quasiparticle anisotropic hydrodynamics, a single…
We set up a general framework for systematically building and classifying, in the linear regime, causal and stable dissipative hydrodynamic theories that, alongside with the usual hydrodynamic modes, also allow for an arbitrary number of…
An alternative way of utilizing the thermodynamic perturbation theory of Wertheim for the development of equations of state for associating fluid models is presented and detailed for water. The approach makes use of general features of the…
We present an implicit method for solving the diffusion equation for the evolution of the dust fraction in the terminal velocity approximation using dust-as-mixture smoothed particle hydrodynamics (SPH). The numerical scheme involves…
In conventional fluid mechanics, the chemical composition and thermodynamic state of a fluid-solid interface are not considered when establishing velocity-field boundary conditions. As a consequence, fluid simulations are usually not able…
Supersolids are theoretically predicted quantum states that break the continuous rotational and translational symmetries of liquids while preserving superfluid transport properties. Over the last decade, much progress has been made in…
Ionic liquids are widely used as electrolytes in electrochemical devices. In this context, many experimental and theoretical approaches have been recently developed for characterizing their interface with electrodes. In this perspective…
In this paper we demonstrate how the recently reported exactly and quasi-exactly solvable models admitting quasinormal modes can be constructed and classified very simply and directly by the newly proposed prepotential approach. These new…
This monograph addresses an important problem in mathematical fluid dynamics: constructing stable, long-term solutions to certain quasilinear evolution equations. We implement an elaborate scheme for building global quasiperiodic solutions…
Stochastic multi-scale modeling and simulation for nonlinear thermo-mechanical problems of composite materials with complicated random microstructures remains a challenging issue. In this paper, we develop a novel statistical higher-order…
A comprehensive microscopic dynamical theory is presented for the description of quantum fluids as they transform into glasses. The theory is based on a quantum extension of mode-coupling theory. Novel effects are predicted, such as…
Generalized hydrodynamics is a framework to study the large scale dynamics of integrable models, special fine-tuned one-dimensional many-body systems that possess an infinite number of local conserved quantities. Unlike classical models,…
We construct a class of quantum stochastic models of reservoir driven many-particle systems that are the natural counterparts of certain extensively studied classical ones, which have been shown to exhibit good hydrodynamical behaviour. Our…
Recent molecular simulation and integral equation results alkali-halide ion pair potentials-of-mean-force in water are discussed. Dielectric model calculations are implemented to check that these models produce that characteristic structure…
For open quantum systems, the Gaussian environmental dissipative effect can be represented by statistical quasi-particles, namely, dissipatons. We exploit this fact to establish the dissipaton thermofield theory. The resulting generalized…