3 papers
cond-mat.mtrl-sci2025
Exploration of Hexagonal, Layered Carbides and Nitrides as Ultra-High Temperature Ceramics
Kat Nykiel, Brian Wyatt, Babak Anasori +1
Layered, hexagonal crystal structures, like zeta and eta phases, play an important role in ultra-high temperature ceramics, often significantly increasing toughness of carbide comp…
cond-mat.stat-mech2024
Thermodynamic Fidelity of Generative Models for Ising System
Brian H. Lee, Kat Nykiel, Ava E. Hallberg +2
Machine learning has become a central technique for modeling in science and engineering, either complementing or as surrogates to physics-based models. Significant efforts have rec…
cond-mat.mtrl-sci2023
High-Throughput Density Functional Theory Screening of Double Transition Metal MXene Precursors
Kat Nykiel, Alejandro Strachan
MXenes are an emerging class of 2D materials of interest in applications ranging from energy storage to electromagnetic shielding. MXenes are synthesized by selective etching of la…