4 papers · 1 filter
First-principles electronic transport properties of Ti and Ti-6Al-4V for modeling ultrashort-pulse laser ablation
Korbinian Hobmaier, Guillaume E. Allemand, Alberto Marmodoro +4
Predictive modeling of ultrashort-pulse laser ablation requires temperature-dependent material parameters derived from the electronic structure, namely the electronic thermal condu…
Microstructural Evolution and Crystallization Behavior of Amorphous Medium-Entropy Ti-Nb-Zr-Ag Thin Films
Anna Benediktová, Lucie NedvÄdová, Michal Procházka +6
Improving the performance of metallic implants increasingly relies on the development of multifunctional surface modifications that combine structural stability, bioactivity, and p…
Electronic structure, phase stability, and transport properties of the AlTiVCr lightweight high-entropy alloy: A computational study
Christopher D. Woodgate, Hubert J. Naguszewski, Nicolas F. Piwek +1
We investigate the thermodynamics and phase stability of the AlTiVCr lightweight high-entropy alloy using a combination of ab initio electronic structure calculations, a concentrat…
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…