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The restructuring process of diagenesis in the sedimentary rocks is studied using a percolation type model. The cementation and dissolution processes are modeled by the culling of occupied sites in rarefied and growth of vacant sites in…
In computer simulations, quantum delocalization of atomic nuclei can be modeled making use of the Path Integral (PI) formulation of quantum statistical mechanics. This approach, however, comes with a large computational cost. By restricting…
A comprehensive comparison of quantum evolution between the quantum and classical mechanically motion of nuclei in a finite-dimensional quantum chemistry model is presented. A modified version of Tavis-Cummings-Hubbard model with two…
The technique of distributed dislocations proved to be in the past an effective approach in studying crack problems within classical elasticity. The present work is intended to extend this technique in studying crack problems within…
We present a comprehensive comparison of spin and energy dynamics in quantum and classical spin models on different geometries, ranging from one-dimensional chains, over quasi-one-dimensional ladders, to two-dimensional square lattices.…
During the processes of nucleation and growth of a precipitate cluster from a supersaturated solution, the diffusion flux between the cluster and the solution changes the solute concentration near the cluster-solution interface from its…
Diffusion involving atom transport from one location to another governs many important processes and behaviors such as precipitation and phase nucleation. Local chemical complexity in compositionally complex alloys poses challenges for…
Kinetic Monte Carlo models parameterized by first principles calculations are widely used to simulate atomic diffusion. However, accurately predicting the activation energies for diffusion in substitutional alloys remains challenging due to…
Creep in single crystal Nickel-based superalloys has been a topic of interest since decades, and nowadays simulations are more and more able to complement experiments. In these alloys, the $\gamma/\gamma'$ phase microstructure co-evolves…
The kinetics of dislocation reactions, such as dislocation multiplication, controls the plastic deformation in crystals beyond their elastic limit, therefore critical mechanisms in a number of applications in materials science. We present a…
We consider classical models of the kicked rotor type, with piecewise linear kicking potentials designed so that momentum changes only by multiples of a given constant. Their dynamics display quasi-localization of momentum, or quadratic…
This paper deals with the numerical (finite volume) approximation of reaction-diffusion systems with relaxation, among which the hyperbolic extension of the Allen--Cahn equation represents a notable prototype. Appropriate discretizations…
We develop the `duality approach', that has been extensively studied for classical models of transport, for quantum systems in contact with a thermal `Lindbladian' bath. The method provides (a) a mapping of the original model to a simpler…
We develop the theory of canonical-dissipative systems, based on the assumption that both the conservative and the dissipative elements of the dynamics are determined by invariants of motion. In this case, known solutions for conservative…
We study a parabolic differential equation whose solution represents the atom dislocation in a crystal for a general type of Peierls-Nabarro model with possibly long range interactions and an external stress. Differently from the previous…
The simulation of complex quantum systems on a quantum computer is studied, taking the kicked Harper model as an example. This well-studied system has a rich variety of dynamical behavior depending on parameters, displays interesting…
We study quantum transport on finite discrete structures and we model the process by means of continuous-time quantum walks. A direct and effective comparison between quantum and classical walks can be attained based on the average…
The present research is the first attempt to systematically quantify the dislocation-precipitate interaction in terms of applied shear stress, precipitate resistance, and the required time to reach the critical state of…
This paper serves as a bridge between quantum computing and analogical modeling (a general theory for predicting categories of behavior in varying contexts). Since its formulation in the early 1980s, analogical modeling has been…
An approach for quantitatively evaluating overshooting oscillations is designed to characterize the performance of shock-capturing schemes. Specifically, following our previous work focused on cases with only discontinuities, now we account…