相关论文: A Generalized Mathematical Framework for Thermal O…
The thermal growth of silicon oxide films on Si in dry O2 is modelled as a dynamical system, assuming that it is basically a diffusion-reaction phenomenon. Relevant findings of the last decade are incorporated, as structure and composition…
Kinetics of silicon dry oxidation are investigated theoretically and experimentally at low temperature in the nanometer range where the limits of the Deal and Grove model becomes critical. Based on a fine control of the oxidation process…
This paper studies a mathematical formalism of nonequilibrium thermodynamics for chemical reaction models with $N$ species, $M$ reactions, and general rate law. We establish a mathematical basis for J. W. Gibbs' macroscopic chemical…
We present a generalized kinetic model for gas-solid heterogeneous reactions taking place at the interface between two phases. The model studies the reaction kinetics by taking into account the reactions at the interface, as well as the…
We summarize and to discuss briefly the geometrical practice of modeling attitudes so far popular in treating reaction kinetics of solid-state processes. The model equations existing in the literature have been explored to describe the…
Thermal transport in classical fluids is analyzed in terms of a Higher-Order Generalized Hydrodynamics (or Mesoscopic Hydro-Thermodynamics), that is, depending on the evolution of the energy density and its fluxes of all orders. It is…
An oxidation process is simulated for a bundle of metal tubes in a cross-flow. A fluid flow is governed by the incompressible Navier-Stokes equations. To describe the transport of oxygen, the corresponding convection-diffusion equation is…
We develop a kinetic-theory framework to investigate the steady rheology of a dilute gas interacting via a repulsive potential under uniform shear flow. Starting from the Boltzmann equation with a restitution coefficient that depends on the…
This study presents a coarse-grained molecular dynamics simulation model to investigate the process of oxidative aging in polymers. The chemical aging effect is attributed to the auto-oxidation mechanism, which is initiated by radicals,…
A theoretical model is considered to predict the minimum ambient gas temperature at which fine iron particles can undergo thermal runaway--the ignition temperature. The model accounts for Knudsen transition transport effects, which become…
The aim of the present work is to introduce a thermodynamic model to describe the growth of an oxide layer on a metallic substrate. More precisely, this paper offers a study of oxygen dissolution into a solid, and its consequences on the…
In this paper we introduce a model describing diffusion of species by a suitable regularization of a "forward-backward" parabolic equation. In particular, we prove existence and uniqueness of solutions, as well as continuous dependence on…
Although of practical importance, there is no established modeling framework to accurately predict high-temperature cyclic oxidation kinetics of multi-component alloys due to the inherent complexity. We present a data analytics approach to…
We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…
We report an investigation of growth kinetics and transition from thin to thick films during metal oxidation. In the thin film limit (< 20 nm), Cabrera and Mott's theory is usually adopted by explicitly considering ionic drift through the…
This paper exploits the theory of geometric gradient flows to introduce an alternative regularization of the thin-film equation. The solution properties of this regularization are investigated via a sequence of numerical simulations whose…
Good quality In2S3 films were grown by Dr Blade method from a powder synthesized in a chemical bath, and oxidized to obtain In2O3 films and films of intermediate composition. The oxidation process and kinetics are studied by means of…
Conventional phase-field models often drive solid-solid interfaces to coalesce when in close proximity. This feature limits their use for processes like diffusion bonding, where the interfaces might need to remain distinct under certain…
Understanding the realization of thermal equilibrium through the thermalization process in a many-body system is a fundamental and complex scientific question, bridging thermodynamics and classical dynamics and connecting to a host of…
To study materials phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels, are necessary. Attempts to do this in the static regime (i.e. zero temperature) have already been…