Integrated Computational Engineering of High-performance Materials
||Integrated Computational Engineering of High-performance Materials|
||SNIC Medium Storage|
||Pavel Korzhavyi <firstname.lastname@example.org>|
||Kungliga Tekniska högskolan|
||2021-03-01 – 2022-03-01|
||20506 10402 10304|
The purpose of this proposal is to allocate storage facilities to the computational project SNIC 2021/5-73 "Integrated Computational Engineering of High-performance Materials" (continuation) submitted to SNAC. The details of the computations are specified there.
In brief, the project deals with dynamical computational studies of of defects (point defects and extended defects including surfaces, interfaces, and dislocations) in multicomponent metallic alloys based on 3d transition metals (Fe, Co, Ni, and Cu), e.g., steels, superalloys, and metal-ceramic composite materials. An increased storage allocation is kindly requested in connection with the need to store the computed trajectories for ions from the ab initio or classical molecular dynamics simulations.