78 citations · 115 across the 5 of their papers we have counts for
5 papers
Interface-Controlled Defect Engineering in TiN/TaN Superlattices for Enhanced Hardness and Fracture Toughness
Zecui Gaoa, Qimin Wang, Julian Buchinger +6
TiNTaN superlattice coatings were designed to investigate how atomic-scale interface chemistry and defect-stabilized TaN layers govern hardness and fracture toughness. Guided by fi…
Machine-Learning Potentials Predict Orientation- and Mode-Dependent Fracture in Refractory Diborides
Shuyao Lin, Zhuo Chen, Rebecca Janknecht +5
Fracture toughness () and fracture strength () are key criteria in the selection and design of reliable ceramics. However, their experimental character…
Machine-learning potentials for nanoscale simulations of deformation and fracture: example of TiB ceramic
Shuyao Lin, Luis Casillas-Trujillo, Ferenc Tasnádi +4
Machine-learning interatomic potentials (MLIPs) offer a powerful avenue for simulations beyond length and timescales of ab initio methods. Their development for investigation of me…
Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study
Nikola Koutná, Rainer Hahn, Jakub Zálešák +6
Superlattice architecture represents an effective strategy to improve performance of hard protective coatings. Our model system, MoN/TaN, combines materials well-known for their hi…
Point defects stabilise cubic Mo-N and Ta-N
Nikola Koutná, David Holec, Ondřej Svoboda +2
We employ \textit{ab initio} calculations to investigate energetics of point defects in metastable rocksalt cubic Ta-N and Mo-N. Our results reveal a strong tendency to off-stoichi…