most citedMachine-learning potentials for nanoscale simulations of deformation and fracture: example of TiB ceramic

29 citations · 39 across the 4 of their papers we have counts for

collaborators

4 papers

cond-mat.mtrl-sci2025

High- and medium-entropy nitride coatings from the Cr-Hf-Mo-Ta-W-N system: properties and high-temperature stability

Pavel Souček, Stanislava Debnárová, Šárka Zuzjaková +9

High- and medium-entropy nitride coatings from the Cr-Hf-Mo-Ta-W-N system were studied using ab initio calculations and experiments to clarify the role of entropy and individual el…

cond-mat.mtrl-sci2025★ 6 cited

Machine-learning potentials for structurally and chemically complex MAB phases: strain hardening and ripplocation-mediated plasticity

Nikola Koutná, Shuyao Lin, Lars Hultman +2

Though offering unprecedented pathways to molecular dynamics (MD) simulations of technologically-relevant materials and conditions, machine-learning interatomic potentials (MLIPs)…

cond-mat.mtrl-sci2025★ 4 cited

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…

cond-mat.mtrl-sci2023★ 29 cited

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…