Papers › Prediction of defect properties in concentrated solid solutions using a Langmuir-like model
Prediction of defect properties in concentrated solid solutions using a Langmuir-like model
Jacob Jeffries, Fadi Abdeljawad, Suveen Mathaudhu, Emmanuelle Marquis, Enrique Martinez
The archive published only this paper's code-link row. Authors, date and abstract are from arXiv's metadata (CC0), read from the Kaggle arXiv metadata snapshot of 2026-09-12 where its title matched the archive's; the title is the archive's.
The alleged existence of sluggish diffusion in high entropy alloys has drawn controversy. In high entropy alloys, and in general in all solids, transport properties are controlled by point defect concentration, which must be known before performing atomistic simulations to compute transport coefficients. In this work, we present a general Langmuir-like model for defect concentration in an arbitrarily complex solid solution and apply this model to generate expressions for concentrations of vacancies and small interstitial atoms. We then calculate the vacancy concentration as a function of temperature in the equiatomic CoNiCrFeMn and FeAl alloys with modified embedded-atom-method potentials for various chemical orderings, showing there is no clear correlation between vacancy thermodynamics and chemical ordering in the CoNiCrFeMn alloy but clear systematic patterns for FeAl. We believe this is due to the high stability of disordered, random and ordered, intermetallic phases respectively in the CoNiCrFeMn and FeAl systems. This work provides future avenues to the prediction of thermal interstitials and vacancies in solid solutions, which is necessary for models of non-equilibrium behavior of solid solutions.
Code
Repository list and official/mentioned flags are the archive's, frozen 2025-07-28. Reachability, where shown, is from one Syntology probe window (2026-09-16 to 2026-09-18); repositories not probed show nothing. GitHub stars are not tracked.
Code Syntology ran Syntology
Not run by Syntology. Nothing on this page verifies that the listed code works.
Results from the paper archive 2025-07-28
No leaderboard rows for this paper in the archive.
Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections