activity
20172020
most citedEffects of surface vibrations on interlayer mass-transport: ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands

25 citations · 56 across the 4 of their papers we have counts for

collaborators

4 papers

cond-mat.mtrl-sci2020

Adaptive hard and tough mechanical response in single-crystal B1 VNx ceramics via control of anion vacancies

A. B. Mei, H. Kindlund, E. Broitman +4

High hardness and toughness are generally considered mutually exclusive properties for single-crystal ceramics. Combining experiments and ab initio molecular dynamics (AIMD) atomis…

cond-mat.mtrl-sci2019

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…

cond-mat.mtrl-sci20193 cited

Mechanical properties of VMoNO as a function of oxygen concentration: toward development of hard and tough refractory oxynitrides

Daniel Edström, Davide G. Sangiovanni, Ludvig Landälv +5

Improved toughness is a central goal in the development of wear-resistant refractory ceramic coatings. Extensive theoretical and experimental research has revealed that NaCl struct…

cond-mat.mtrl-sci201725 cited

Effects of surface vibrations on interlayer mass-transport: ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands

D. G. Sangiovanni, A. B. Mei, D. Edström +4

We carry out density-functional ab initio molecular dynamics (AIMD) simulations of Ti adatom (Tiad) migration on, and descent from, TiN <100>-faceted epitaxial islands on TiN(001)…