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Reaction-advection-diffusion equations, in periodic settings and with general type nonlinearities, admit a threshold known as the minimal speed of propagation. The minimal speed does not have an accessible formula when the nonlinearity is…
Phase diagrams serve as a highly informative tool for materials design, encapsulating information about the phases that a material can manifest under specific conditions. In this work, we develop a method in which Bayesian inference is…
A computational procedure is developed for determining the conversion probability for reaction-diffusion systems in which a first-order catalytic reaction is performed over active particles. We apply this general method to systems on metric…
Metastability is a formidable challenge to Markov chain Monte Carlo methods. In this paper we present methods for algorithm design to meet this challenge. The design problem we consider is temperature selection for the infinite swapping…
We analyse and quantify the amount of heat generated by a nanoparticle, injected in a background medium, while excited by incident electromagnetic waves. These nanoparticles are dispersive with electric permittivity following the Lorentz…
Over 85% of all chemical industry products are made using catalysts, with the overwhelming majority of these employing heterogeneous catalysts functioning at the gas-solid interface. Consequently, optimizing catalytic reactor design…
An accurate prediction of atomic diffusion in Fe alloys is challenging due to thermal magnetic excitations and magnetic transitions. We propose an effcient approach to address these properties via Monte Carlo simulation, using ab-initio…
The heat pulse (flash) experiment is a well-known and widely accepted method to measure the thermal diffusivity of a material. In recent years, it is observed that the thermal behavior of heterogeneous materials can show deviation from the…
The influence of tuning the laser energy during the analyses on the resulting microstructure in a specimen utilizing an ultra-fast laser assisted atom probe was demonstrated by a case study of a binary Al-Li alloy. The decomposition…
We theoretically consider non-interacting fermions confined to optical lattices and apply a lattice amplitude modulation that we choose to be either homogeneous or of superlattice geometry. We study the atom excitation rate to higher Bloch…
Reaction-diffusion systems offer a powerful framework for understanding self-organized patterns in biological systems, yet controlling these patterns remains a significant challenge. As a consequence, we present a rigorous framework of…
The elasto-plastic material behavior, material strength and failure modes of metals fabricated by additive manufacturing technologies are significantly determined by the underlying process-specific microstructure evolution. In this work a…
Heat transfer in a fluid can be greatly enhanced by natural convection, giving rise to the nuanced relationship between the Nusselt number and Rayleigh number that has been a focus of modern fluid dynamics. Our work explores convection in…
Fire protection mainly takes place through physical or chemical pathways or both of them. The thermal diffusivity is one of the basic thermophysical properties which can connect the chemical structure. It is well-known in the literature…
We study a coupled thermo-diffusion system that accounts for the dynamics of hot colloids in periodically heterogeneous media. Our model describes the joint evolution of temperature and colloidal concentrations in a saturated porous…
Using the density functional theory (DFT) formulated within the framework of the plane-wave basis projector augmented wave (PAW) method, the temperature-dependent elastic properties of MgRE (RE=Y, Dy, Pr, Sc, Tb) intermetallics with B2-type…
Light-matter interactions are of fundamental scientific and technological interest. Ultrafast electron microscopy and diffraction with combined femtosecond-nanometer resolution elucidate the laser-induced dynamics in structurally…
Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…
We study C70 fullerene matter waves in a Talbot-Lau interferometer as a function of their temperature. While the ideal fringe visibility is observed at moderate molecular temperatures, we find a gradual degradation of the interference…
Convection in planets and stars is predicted to occur in the "ultimate regime'' of diffusivity-free, rapidly rotating turbulence, in which flows are characteristically unaffected by viscous and thermal diffusion. Boundary layer diffusion,…