From the 1 of 7 linked papers with an AI index.
7 papers
Formation of -ordered $γ'$- precipitates in ternary Cu-Ni-Al alloys modelled using an ab initio concentration wave theory and atomistic simulations
Christopher D. Woodgate, Hubert J. Naguszewski, Samuel L. Deacon +4
The paper models the thermodynamics and phase stability of Cu‑Ni‑Al alloys, focusing on how L1₂‑ordered γ′‑Ni₃Al precipitates form and affect precipitation strengthening, using fir…
Long-range magnetic interactions in NdPdSi and the formation of skyrmion phases in centrosymmetric metals
Viviane Peçanha-Antonio, Zhaoyang Shan, Michael Smidman +11
We present an extensive X-ray and neutron scattering study of the structure and magnetic excitations of NdPdSi, a sister compound of GdPdSi which was recently found…
Emergent B2 chemical orderings in the AlTiVNb and AlTiCrMo refractory high-entropy superalloys studied via first-principles theory and atomistic modelling
Christopher D. Woodgate, Hubert J. Naguszewski, David Redka +3
We study the thermodynamics and phase stability of the AlTiVNb and AlTiCrMo refractory high-entropy superalloys using a combination of \textit{ab initio} electronic structure theor…
Compositional phase stability in medium-entropy and high-entropy Cantor-Wu alloys from an ab initio all-electron, Landau-type theory and atomistic modelling
Christopher D. Woodgate, Julie B. Staunton
We describe implementation and analysis of a first-principles theory, derived in an earlier work, for the leading terms in an expansion of a Gibbs free energy of a multi-component…
A Magnon Band Analysis of GdRu2Si2 in the Field-Polarized State
G. D. A. Wood, J. R. Stewart, D. A. Mayoh +8
Understanding the formation of skyrmions in centrosymmetric materials is a problem of fundamental and technological interest. GdRu2Si2 is one such candidate material which has been…
Integrated ab initio modelling of atomic order and magnetic anisotropy for rare-earth-free magnet design: effects of alloying additions in FeNi
Christopher D. Woodgate, Laura H. Lewis, Julie B. Staunton
We describe an integrated modelling approach to accelerate the search for novel, single-phase, multicomponent materials with high magnetocrystalline anisotropy (MCA). For a given s…