3 papers
cond-mat.mtrl-sci2000
Bent surface free energy differences from simulation
U. Tartaglino, D. Passerone, E. Tosatti +1
We present a calculation of the change of free energy of a solid surface upon bending of the solid. It is based on extracting the surface stress through a molecular dynamics simula…
cond-mat.mtrl-sci1999
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…
cond-mat.mtrl-sci1998
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…