Abstract
The deviation of positions of atoms from their ideal lattice sites in crystalline solid state systems causes distortion and it causes variation in structural [1] and functional properties [2]. Severe lattice distortion has been proposed to be one of the core-effect in high-entropy alloys. But the fundamental mechanism of distortion at atomic scale is missing for real three-dimensional metallic systems. The present investigation aims to develop mechanistic understanding of atomic scale distortion in metallic systems in terms of the magneto-volume effects. The correlation between charge-disproportion, spin fluctuations, magneto-volume effects and Fermi surface nesting has been highlighted.
| Original language | English |
|---|---|
| Pages (from-to) | 159-164 |
| Number of pages | 6 |
| Journal | Scripta Materialia |
| Volume | 185 |
| DOIs | |
| State | Published - Aug 2020 |
Funding
GA is thankful to Phil Hasnip and Keith Refson for helpful discussions, University of Sheffield for PhD scholarship and Leverhulme trust for funding postdoctoral research under Grant RPG-2017-191. GA and CLF are thankful for support provided via our membership of the UK's HPC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202) and GA is also thankful to computing facilities through UKCP consortium with EPSRC grant reference EP/P022065/1. Additional computing facilities were provided by the Scientific Computing Research Technology Platform of the University of Warwick. The work of ME has been supported by U.S. Department of Energy, Office of Science, Basic Energy Sciences, Material Sciences and Engineering Division and it used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725. GA is thankful to Phil Hasnip and Keith Refson for helpful discussions, University of Sheffield for PhD scholarship and Leverhulme trust for funding postdoctoral research under Grant RPG-2017-191 . GA and CLF are thankful for support provided via our membership of the UK’s HPC Materials Chemistry Consortium, which is funded by EPSRC ( EP/L000202 ) and GA is also thankful to computing facilities through UKCP consortium with EPSRC grant reference EP/P022065/1. Additional computing facilities were provided by the Scientific Computing Research Technology Platform of the University of Warwick. The work of ME has been supported by U.S. Department of Energy, Office of Science, Basic Energy Sciences, Material Sciences and Engineering Division and it used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725 .
| Funders | Funder number |
|---|---|
| U.S. Department of Energy | |
| Office of Science | DE-AC05-00OR22725 |
| Basic Energy Sciences | |
| Engineering and Physical Sciences Research Council | EP/P022065/1, EP/L000202 |
| Leverhulme Trust | RPG-2017-191 |
| University of Warwick | |
| University of Sheffield |
Keywords
- Alloys
- Distortion
- High entropy alloys
- Magnetism
- Solid solution strengthening