Valence electron concentration as an indicator for mechanical properties in rocksalt structure nitrides, carbides and carbonitrides

K Balasubramanian, SV Khare, D Gall - Acta Materialia, 2018 - Elsevier
First-principles calculations are employed to determine the mechanical properties of rock-
salt structure binary and ternary transition metal nitrides, carbides, and carbonitrides from …

Deep learning accelerated design of mechanically efficient architected materials

S Lee, Z Zhang, GX Gu - ACS Applied Materials & Interfaces, 2023 - ACS Publications
Lattice structures are known to have high performance-to-weight ratios because of their
highly efficient material distribution in a given volume. However, their inherently large void …

Modeling refractory high-entropy alloys with efficient machine-learned interatomic potentials: Defects and segregation

J Byggmästar, K Nordlund, F Djurabekova - Physical Review B, 2021 - APS
We develop a fast and accurate machine-learned interatomic potential for the Mo-Nb-Ta-VW
quinary system and use it to study segregation and defects in the body-centered-cubic …

Measurement modulus of elasticity related to the atomic density of planes in unit cell of crystal lattices

M Rabiei, A Palevicius, A Dashti, S Nasiri, A Monshi… - Materials, 2020 - mdpi.com
Young's modulus (E) is one of the most important parameters in the mechanical properties of
solid materials. Young's modulus is proportional to the stress and strain values. There are …

[HTML][HTML] Superlattice effect for enhanced fracture toughness of hard coatings

R Hahn, M Bartosik, R Soler, C Kirchlechner, G Dehm… - Scripta Materialia, 2016 - Elsevier
Abstract Coherently grown nanolayered TiN/CrN thin films exhibit a superlattice effect in
fracture toughness, similar to the reported effect in indentation hardness. We found–by …

[HTML][HTML] Atomistic mechanisms underlying plasticity and crack growth in ceramics: a case study of AlN/TiN superlattices

N Koutná, L Löfler, D Holec, Z Chen, Z Zhang… - Acta materialia, 2022 - Elsevier
Interfaces between components of a material govern its mechanical strength and fracture
resistance. While a great number of interfaces is present in nanolayered materials, such as …

The atomistic structure of metal/ceramic interfaces is the key issue for develo** better properties

W Wunderlich - Metals, 2014 - mdpi.com
Metal-metal-, ceramic-metal-composites (MMC, CMC) and related functional materials are
steadily gaining interest for practical applications. This invited overview paper is divided into …

[HTML][HTML] Materials science-based guidelines to develop robust hard thin film materials

PH Mayrhofer, H Clemens, FD Fischer - Progress in Materials Science, 2024 - Elsevier
For mechanically dominated load profiles, nitrides are preferred as the base material for
structural and functional hard coatings, while oxide-based materials offer better protection …

[HTML][HTML] Ion kinetic energy-and ion flux-dependent mechanical properties and thermal stability of (Ti, Al) N thin films

SK Aghda, DM Holzapfel, D Music, Y Unutulmazsoy… - Acta Materialia, 2023 - Elsevier
Ion-irradiation-induced changes in structure, elastic properties, and thermal stability of
metastable c-(Ti, Al) N thin films synthesized by high-power pulsed magnetron sputtering …

[HTML][HTML] Toughness enhancement in TiN/WN superlattice thin films

J Buchinger, N Koutná, Z Chen, Z Zhang, PH Mayrhofer… - Acta Materialia, 2019 - Elsevier
Transition metal nitride thin films traditionally possess a low intrinsic fracture toughness.
Motivated by the recently discovered fracture toughness enhancing superlattice (SL) effect …