Atomistic simulations of pipe diffusion in bcc transition metals
Diffusion along dislocations, the so-called pipe diffusion (PD), may significantly contribute to
self-diffusion in plastically deformed materials. In this work, we carry out a comprehensive …
self-diffusion in plastically deformed materials. In this work, we carry out a comprehensive …
The effect of geometrical parameters, roughness and the number of nanoparticles on the self-diffusion coefficient in Couette flow in a nanochannel by using of …
M Tohidi, D Toghraie - Physica B: Condensed Matter, 2017 - Elsevier
The effect of geometrical parameters, roughness and the number of nanoparticles on self-
diffusion in Couette flow in a nanochannel is investigated by using of molecular dynamics …
diffusion in Couette flow in a nanochannel is investigated by using of molecular dynamics …
Atomic-level mechanisms of short-circuit diffusion in materials
This paper reviews the recent progress in understanding the atomic mechanisms of short-
circuit diffusion along materials interfaces, such as grain and interphase boundaries, as well …
circuit diffusion along materials interfaces, such as grain and interphase boundaries, as well …
In Situ Studies of Single-Nanoparticle-Level Nickel Thermal Oxidation: From Early Oxide Nucleation to Diffusion-Balanced Oxide Thickening
High-temperature oxidation mechanisms of metallic nanoparticles have been extensively
investigated; however, it is challenging to determine whether the kinetic modeling is …
investigated; however, it is challenging to determine whether the kinetic modeling is …
A crystal plasticity based strain rate dependent model across an ultra-wide range
Numerous studies have investigated the strain rate sensitive behaviors of materials,
consistently reporting enhanced stress values and increased dislocation density with rising …
consistently reporting enhanced stress values and increased dislocation density with rising …
Molecular dynamics simulation of atomic diffusion in friction stir spot welded Al to Cu joints
Dissimilar metals joining, especially Aluminum (Al) to copper (Cu), have gained importance
in batteries for electric vehicles. Although friction stir spot welding (FSSW) has recently been …
in batteries for electric vehicles. Although friction stir spot welding (FSSW) has recently been …
Ab initio molecular dynamics of pipe diffusion in fcc Ni beyond transition state theory
LJ Wirth, C Woodward, AA Farajian - Acta Materialia, 2022 - Elsevier
Advances in first principles methods provide a means to explore the rate constants of
mechanisms that constitute diffusion. We apply these to atom-vacancy exchanges near a …
mechanisms that constitute diffusion. We apply these to atom-vacancy exchanges near a …
Void nucleation at tilt grain boundaries: Atomic-scale insights
A Shashaani, P Sepehrband - Computational Materials Science, 2024 - Elsevier
Void nucleation plays a critical role in various failure mechanisms. Grain boundaries,
characterized by elevated energy and serving as areas for stress concentration, are …
characterized by elevated energy and serving as areas for stress concentration, are …
[HTML][HTML] Exploring the thermal behavior and diffusive functionality of structural defects and phase boundaries in near-stoichiometric chromium diborides by in situ …
Near-stoichiometric chromium diboride films were subject to in situ annealing inside a
scanning transmission electron microscope to access the thermal behavior of the film and …
scanning transmission electron microscope to access the thermal behavior of the film and …
Dislocation assisted diffusion: a mechanism for growth of intermetallic compounds in copper ball bonds
M Gholamirad, S Soltani, P Sepehrband - Microelectronics Reliability, 2018 - Elsevier
A combination of Finite Element Analysis (FEA), Molecular Dynamics (MD) simulation and
analytical formulation is employed to predict the thickness of Intermetallic Compounds …
analytical formulation is employed to predict the thickness of Intermetallic Compounds …