جهت دسترسی به کاربرگه ی زیر، از این لینک استفاده کنید.
|Title:||First principles modelling of dislocations in BCC iron|
|Publisher:||Imperial College London;Materials|
|Description:||This work centers around employing magnetic tight binding to study defects in body centred cubic iron, a material of potentially great importance as a structural component in hydrogen fusion power plants. An existing d-band tight binding model was extended to include charge. The first task was to develop a working scheme for calculating spins and charges self consistently. This was achieved using an extended form of the Harris-Foulkes functional and implemented with a generalisation of the Newton-Raphson minimisation procedure. Having established such a scheme it was tested on bulk structures, point defects and straight dislocations. The motion of dislocations and the opposition to this was also considered though calculation of Peierls barriers.;Imperial Users only|
|Type Of Material:||OTHER|
|Appears in Collections:||Faculty of Engineering|
Files in This Item:
There are no files associated with this item.
تمامی کاربرگه ها در کتابخانه ی دیجیتال حنان به صورت کامل محافظت می شوند.