Diffusion, atomic transport, and ordering in Al-Zr alloys: FCC and liquid phases

Y Osetskiy, A Plotkowski, Y Yang - Acta Materialia, 2023 - Elsevier
Additive manufacturing of materials with controlled microstructure demands knowledge of
atomic scale properties near the solid-liquid transition state. Many of these properties are not …

Application of the Widom insertion formula to transition rates in a lattice

MA Di Muro, M Hoyuelos - Physical Review E, 2021 - APS
We consider diffusion of particles on a lattice in the so-called dynamical mean-field regime
(memory effects are neglected). Interactions are local, that is, only among particles at the …

Effect of the thermodynamic factor on the intrinsic and tracer diffusivities in binary mixtures

M Sampayo Puelles, M Hoyuelos - Physical Review E, 2023 - APS
One of the Darken equations gives a relationship between the intrinsic and the tracer
diffusion coefficients, DA and DA*, of species A in a solid binary mixture. In its original …

Out-of-equilibrium Monte Carlo simulations of a classical gas with Bose-Einstein statistics

M Di Pietro Martínez, M Giuliano, M Hoyuelos - Physical Review E, 2020 - APS
Algorithms to determine transition probabilities in Monte Carlo simulations are tested using a
system of classical particles with effective interactions which reproduce Bose-Einstein …

The role of the thermodynamic factor on the intrinsic and tracer diffusivities in binary mixtures

MS Puelles, M Hoyuelos - arXiv preprint arXiv:2204.10726, 2022 - arxiv.org
One of the Darken equations gives a relationship between the intrinsic and the tracer
diffusion coefficients, $ D_A $ and $ D_A^* $, of species $ A $ in a solid binary mixture. In its …

Transition state theory applied to self-diffusion of hard spheres

M Hoyuelos - arXiv preprint arXiv:1908.11150, 2019 - arxiv.org
A description in terms of transition rates among cells is used to analyze self-diffusion of hard
spheres in the fluid phase. Cell size is assumed much larger than the mean free path …

[引用][C] Equation for self-diffusivity applied to hard sphere and Lennard-Jones systems

M Hoyuelos