5 papers
OptiMat Alloys: a FAIR, living database of multi-principal element alloys enabled by a conversational agent
Yang Hu, Vladyslav Turlo
The FAIR principles have transformed how computational data and workflows are shared in materials research, yet existing repositories can only serve pre-computed entries -- broad c…
Critical role of phase-dependent properties in modeling photothermal sintering of LiCoO2 cathodes
Yang Hu, Benoit Sklénard, Wouter Vels +2
Photothermal (photonic) sintering crystallizes as-deposited amorphous LiCoO2 (LCO) cathodes for solid-state thin-film batteries using millisecond, surface-localized heating. Howeve…
Bridging classical and quantum interpretation of chemical state analysis by XPS/HAXPES to resolve short-range order in amorphous alumina films
Simon Gramatte, Xing Wang, Michael Alejandro Hernández Bertrán +8
Probing the local structure and chemistry of wide-bandgap amorphous oxide thin films remains challenging due to the limitations of lab-based spectroscopy. This work integrates X-ra…
Hydroxylation-driven surface reconstruction at the origin of compressive-to-tensile stress transition in metal oxide nanoparticles
Yang Hu, Vladyslav Turlo
Experiments reveal negative (non-Laplacian) surface stresses in metal oxide nanoparticles, partly associated with humidity during fabrication and annealing. Using a neural network…
Refining interface stress measurement in nanomultilayers through layer corrugation and interface roughness corrections
Yang Hu, Aleksandr Druzhinin, Claudia Cancellieri +1
We introduce new models that incorporate layer corrugation and interface roughness into standard approaches for measuring interface stress in nanomultilayers (NMLs). Applied to Cu/…