Atomistic simulations of pipe diffusion in bcc transition metals

S Starikov, V Jamebozorgi, D Smirnova, R Drautz… - Acta Materialia, 2023 - Elsevier
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 …

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 …

Atomic-level mechanisms of short-circuit diffusion in materials

I Chesser, RK Koju, Y Mishin - International Journal of Materials …, 2024 - degruyter.com
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 …

In Situ Studies of Single-Nanoparticle-Level Nickel Thermal Oxidation: From Early Oxide Nucleation to Diffusion-Balanced Oxide Thickening

R Sainju, D Rathnayake, H Tan, G Bollas… - ACS …, 2022 - ACS Publications
High-temperature oxidation mechanisms of metallic nanoparticles have been extensively
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

X Sun, K Zhou, C Liu, X Zhang, H Wang… - International Journal of …, 2024 - Elsevier
Numerous studies have investigated the strain rate sensitive behaviors of materials,
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

O Mypati, P Pavan Kumar, P Iqbal, SK Pal… - Mechanics of …, 2022 - Taylor & Francis
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 …

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 …

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 …

[HTML][HTML] Exploring the thermal behavior and diffusive functionality of structural defects and phase boundaries in near-stoichiometric chromium diborides by in situ …

POÅ Persson, J Rosen, I Petrov… - Journal of Vacuum …, 2024 - pubs.aip.org
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 …

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 …