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20232026
most citedMachine-learning potentials for structurally and chemically complex MAB phases: strain hardening and ripplocation-mediated plasticity

6 citations · 10 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2026

A correlation of structural changes with nanomechanical properties in TiN-AlN multilayer films

Nidhin George Mathews, Aidan A. Taylor, Johannes Zechner +5

The present work investigates the changes in overall nanomechanical properties of reactively sputtered TiN-AlN multilayer films arising due to phase transformation in the AlN layer…

cond-mat.mtrl-sci20256 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-sci20254 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-sci2024

Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations

Nikola Koutná, Lars Hultman, Paul H. Mayrhofer +1

MAB phases (MABs) are atomically-thin laminates of ceramic/metallic-like layers, having made a breakthrough in the development of 2D materials. Though theoretically offering a vast…

cond-mat.mtrl-sci2023

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…