Structure, propeties and processes at surfaces and interfaces of materials: computational modeling.Supervisor: RNDr. Andrej Antušek, PhD.
This page shows details on the project. The primary projects are displayed together with a list of sub-projects.
|Project description:||Joining is an important technological process. Frequently, there is defined an upper limit for the joining temperature due to, e.g. undesirable phase transition in the joined materials and the technological need for decreasing of the joining temperature arises. This goal can be achieved by the melting point depression -- its reduction in nanostructured material in comparison to the bulk material. Nano-multilayer foils of brazing filler alloy and diffusion barrier layer (DBL) was shown to be working concept in joining. In the proposed project we address by atomic scale modeling methods structural and thermodynamical properties of the nano-multilayer systems potentially applicable in joining technology. We will apply DFT methods to model structure of the brazing alloy and DBL material interfaces and fit effective potentials for subsequent classical molecular dynamics modeling of large scale structure of interfaces and simulation of melting point depression. Benchmark interaction energies will also be provided.|
|Kind of project:||VEGA ()|
|Department:||Advanced Technologies Research Institute (MTF)|
|Project status:||Successfully completed|
|Project start date :||01. 01. 2013|
|Project close date:||31. 12. 2015|
|Number of workers in the project:||7|
|Number of official workers in the project:||5|
The following table shows the researcher workers who have been assigned official roles in a project.
|RNDr. Andrej Antušek, PhD.||zodpovedný riešiteľ|
|Mgr. Filip Holka, PhD.||spoluriešiteľ|
|RNDr. Peter Perichta, CSc.||spoluriešiteľ|
|prof. RNDr. Miroslav Urban, DrSc.||spoluriešiteľ|
|Bc. Alena Micháliková||administratíva|