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Tunable chemical complexity to control atomic diffusion in alloys

Engineering and Technology

Tunable chemical complexity to control atomic diffusion in alloys

Y. Osetsky, A. V. Barashev, et al.

Discover how a team of researchers, including Yuri Osetsky and Alexander V. Barashev, delves into the intricate world of Ni-Fe random alloys. By manipulating intrinsic chemical complexity, they unveil the secrets behind chemically-biased diffusion and the key role of interstitial atom configurations. This groundbreaking work paves the way for radiation-tolerant alloys essential for advanced materials science.

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Playback language: English
Abstract
This paper explores the control of chemically-biased diffusion in Ni-Fe random alloys through manipulation of intrinsic chemical complexity. Using microsecond-scale molecular dynamics and a novel mean field diffusion model, the researchers demonstrate that local variations in the ground state energy of interstitial atom (IA) configurations drive percolation effects, leading to sluggish and chemically-biased diffusion. This understanding is crucial for developing radiation-tolerant alloys.
Publisher
npj Computational Materials
Published On
Apr 21, 2020
Authors
Yuri Osetsky, Alexander V. Barashev, Laurent K. Béland, Zhongwen Yao, Keyvan Ferasat, Yanwen Zhang
Tags
Ni-Fe random alloys
chemically-biased diffusion
molecular dynamics
mean field diffusion model
interstitial atom configurations
radiation-tolerant alloys

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