Zobrazeno 1 - 10
of 2 037
pro vyhledávání: '"STAUNTON, P."'
We study the homogeneous breaking of spatial translation symmetry concomitantly with the spontaneous breaking of other internal and spacetime symmetries, including dilations. We use the symmetry breaking pattern as the only input to derive, via the c
Externí odkaz:
http://arxiv.org/abs/2409.15193
Autor:
Paddison, Joseph A. M., Bouaziz, Juba, May, Andrew F., Zhang, Qiang, Calder, Stuart, Abernathy, Douglas, Staunton, Julie B., Blügel, Stefan, Christianson, Andrew D.
Magnetic skyrmion crystals are traditionally associated with non-centrosymmetric crystal structures; however, it has been demonstrated that skyrmion crystals can be stabilized by competing interactions in centrosymmetric crystals. To understand and o
Externí odkaz:
http://arxiv.org/abs/2406.04524
Publikováno v:
npj Comput. Mater. 10, 271 (2024)
We study the phase behaviour of the Al$_x$CrFeCoNi high-entropy alloy. Our approach is based on a perturbative analysis of the internal energy of the paramagnetic solid solution as evaluated within the Korringa-Kohn-Rostoker formulation of density fu
Externí odkaz:
http://arxiv.org/abs/2404.13173
Precipitates in Nickel-based superalloys form during heat treatment on a time scale inaccessible to direct molecular dynamics simulation, but could be studied using kinetic Monte Carlo (KMC). This requires reliable values for the barrier energies sep
Externí odkaz:
http://arxiv.org/abs/2403.03282
Publikováno v:
J. Appl. Phys. 135, 135106 (2024)
Refractory high-entropy alloys are under consideration for applications where materials are subjected to high temperatures and levels of radiation, such as in the fusion power sector. However, at present, their scope is limited because they are highl
Externí odkaz:
http://arxiv.org/abs/2401.16243
Publikováno v:
npj Comput. Mater. 10, 272 (2024)
We describe an integrated modelling approach to accelerate the search for novel, single-phase, multicomponent materials with high magnetocrystalline anisotropy (MCA). For a given system we predict the nature of atomic ordering, its dependence on the
Externí odkaz:
http://arxiv.org/abs/2401.02809
Autor:
Bouaziz, Juba, Bihlmayer, Gustav, Patrick, Christopher E., Staunton, Julie B., Blügel, Stefan
We investigate rare-earth magnetic Weyl semimetals through first-principles simulations, analyzing the connection between incommensurate magnetic order and the presence of Weyl nodes in the electronic band structure. Focusing on PrAlSi, NdAlSi, and S
Externí odkaz:
http://arxiv.org/abs/2311.07256
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-15 (2024)
Abstract We study the phase behaviour of the Al x CrFeCoNi high-entropy alloy. Our approach is based on a perturbative analysis of the internal energy of the paramagnetic solid solution as evaluated within the Korringa-Kohn-Rostoker formulation of de
Externí odkaz:
https://doaj.org/article/173c25a3902148acb7c9eae59390d2fc
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-14 (2024)
Abstract We describe an integrated modelling approach to accelerate the search for novel, single-phase, multicomponent materials with high magnetocrystalline anisotropy (MCA). For a given system we predict the nature of atomic ordering, its dependenc
Externí odkaz:
https://doaj.org/article/93466dd5fc144f038e2e0bc45962eb60
Autor:
Shenoy, Lakshmi, Woodgate, Christopher D., Staunton, Julie B., Bartók, Albert P., Becquart, Charlotte S., Domain, Christophe, Kermode, James R.
Publikováno v:
Phys. Rev. Materials 8 (2024) 033804
We have developed a new machine learned interatomic potential for the prototypical austenitic steel Fe$_{7}$Cr$_{2}$Ni, using the Gaussian approximation potential (GAP) framework. This new GAP can model the alloy's properties with close to density fu
Externí odkaz:
http://arxiv.org/abs/2309.08689