85 citations · 221 across the 5 of their papers we have counts for
5 papers
Machine learning interatomic potential for the low-modulus Ti-Nb-Zr alloys in the vicinity of dynamical instability
Boburjon Mukhamedov, Ferenc Tasnadi, Igor A. Abrikosov
Traditionally, alloying and thermal treatment are considered as the main tools for design of new materials. Application of first-principles simulations can significantly accelerate…
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…
Temperature-dependent elastic properties of binary and multicomponent high-entropy refractory carbides
D. G. Sangiovanni, F. Tasnádi, T. Harrington +2
Available information concerning the elastic moduli of refractory carbides at temperatures (T) of relevance for practical applications is sparse and/or inconsistent. We carry out a…
Strength, transformation toughening and fracture dynamics of rocksalt-structure Ti1-xAlxN (0 <= x <= 0.75) alloys
D. G. Sangiovanni, F. Tasnadi, L. J. S. Johnson +2
Ab initio-calculated ideal strength and toughness describe the upper limits for mechanical properties attainable in real systems and can, therefore, be used in selection criteria f…
Assessing the SCAN functional for itinerant electron ferromagnets
M. Ekholm, D. Gambino, H. J. M. Jönsson +3
Density functional theory is a standard model for condensed matter theory and computational material science. The accuracy of density functional theory is limited by accuracy of th…