70 citations · 70 across the 2 of their papers we have counts for
6 papers · 1 filter
Microscopic Calculation of Flow Stress in Cu-Mg Metallic Glass
Nicholas P. Bailey, Jakob Schiøtz, Karsten W. Jacobsen
We have carried out shear-deformation simulations on amorphous Mg-Cu systems at zero temperature and pressure, containing 2048-131072 atoms. At the largest size a smooth stress-str…
Simulation of Cu-Mg metallic glass: Thermodynamics and Structure
Nicholas P. Bailey, Jakob Schiøtz, Karsten W. Jacobsen
We have obtained effective medium theory (EMT) interatomic potential parameters suitable for studying Cu-Mg metallic glasses. We present thermodynamic and structural results from s…
Simulations of nanocrystalline metals at the atomic scale. What can we do? What can we trust?
J. Schiøtz
In recent years it has become possible to study the properties of nanocrystalline metals through atomic-scale simulations of systems with realistic grain sizes. A brief overview of…
Atomic-scale simulations of nanocrystalline metals
J. Schiøtz, T. Vegge, F. D. Di Tolla +1
Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield…
Simulations of mechanics and structure of nanomaterials --- from nanoscale to coarser scales
J. Schiøtz, T. Vegge, F. D. Di Tolla +1
We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropri…
The influence of surface stress on dislocation emission from sharp and blunt cracks in f.c.c. metals
J. Schiotz, A. E. Carlsson
We use computer simulations to study the behavior of atomically sharp and blunted cracks in various f.c.c. metals. The simulations use effective medium potentials which contain man…