Related papers: A Generalized Mathematical Framework for Thermal O…
Generalized mode-coupling theory (GMCT) constitutes a systematically correctable, first-principles theory to study the dynamics of supercooled liquids and the glass transition. It is a hierarchical framework that, through the incorporation…
We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium statistical mechanics and thermodynamics, it is possible to…
A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain…
In this paper we consider a classical model of gasless combustion in a one dimensional formulation under the assumption of ignition temperature kinetics. We study the propagation of flame fronts in this model when the initial distribution…
The possible formation of oxides or thin oxide films (surface oxides) on late transition metal surfaces is recently being recognized as an essential ingredient when aiming to understand catalytic oxidation reactions under technologically…
We revisit the issue of relaxation to thermal equilibrium in the so-called "sheet model", i.e., particles in one dimension interacting by attractive forces independent of their separation. We show that this relaxation may be very clearly…
We propose and analyse numerical schemes for a system of quasilinear, degenerate evolution equations modelling biofilm growth as well as other processes such as flow through porous media and the spreading of wildfires. The first equation in…
The evolution of a two-dimensional driven lattice-gas model is studied on an L_x X L_y lattice. Scaling arguments and extensive numerical simulations are used to show that starting from random initial configuration the model evolves via two…
A microscopic model for thermal excitation of vibrational ground state of a molecule interacting with a condensed medium is developed. The master equation for evolution of occupancies of the vibrational levels is derived. The rate constant…
Off-equilibrium dynamics of a three-dimensional lattice model with nearest- and next nearest-neighbors exclusions is studied. At equilibrium, the model undergoes a first-order fluid-solid transition. Non-equilibrium filling, through random…
Coarse-graining or model reduction is a term describing a range of approaches used to extend the time-scale of molecular simulations by reducing the number of degrees of freedom. In the context of molecular simulation, standard…
Many glass-forming fluids exhibit a remarkable thermodynamic scaling in which dynamic properties, such as the viscosity, the relaxation time, and the diffusion constant, can be described under different thermodynamic conditions in terms of…
Optical thermodynamics offers a distinctive framework for understanding complex phenomena in multimode systems, yet standard ideal-gas-like formulation neglects the effect of nonlinear interaction on thermodynamic quantities, significantly…
A general phenomenological reaction-diffusion model for flow-induced phase transitions in complex fluids is presented. The model consists of an equation of motion for a nonconserved composition variable, coupled to a Newtonian stress…
Using the formalism of the classical nucleation theory, we derive a novel kinetic equation for the size and composition distribution of an ensemble of aqueous organic aerosols, evolving via nucleation and concomitant chemical aging. This…
The statistical thermodynamics of straight rigid rods of length $k$ on triangular lattices was developed on a generalization in the spirit of the lattice-gas model and the classical Guggenheim-DiMarzio approximation. In this scheme, the…
Mathematical modelling of tumor growth is one of the most useful and inexpensive approaches to determine and predict the stage, size and progression of tumors in realistic geometries. Moreover, these models has been used to get an insight…
The static and dynamic roughenings of a growing crystalline facet is studied where the growth mechanism is controlled by a restricted-curvature (RC) geometry. A continuum equation, in analogy with the Kardar-Parisi-Zhang (KPZ) equation is…
Within the framework of continuum mechanics, the full description Of joint motion of elastic bodies and compressible viscous fluids with taking into account thermal effects is given by the system consisting of the mass, momentum, and energy…
In this paper, we study the global dynamics of a general reaction-diffusion model based on acid-mediated invasion hypothesis, which is a candidate explanation for the Warburg effect. A key feature of this model is the density-limited tumor…