Concept

Threshold displacement energy

Publications associées (22)

Multiscale quantum/atomistic coupling using constrained density functional theory

Multiscale coupling of a quantum mechanical (QM) domain to a coarser-scale material description in a larger surrounding domain should yield forces and energies in the QM domain that are the same as would be achieved in a QM simulation of the entire system. ...

American Physical Society2013

Molecular dynamics simulation of radiation damage in bcc tungsten

Robin Schäublin

Molecular dynamics simulations of collision cascades in pure tungsten are performed to assess the primary damage due to irradiation. For short-range interaction the universal potential is used [J.F. Ziegler, J.P. Biersack, U. Littmark, The Stopping and Ran ...

Elsevier2009