Monday, 26. June 2017

KTH Research Projec...

KTH Research Project Database > Production and Mechanical Engineering

Production and Mech...
PROJECT




Materials Science


Aeronautical and Vehicle Engineering


Mechanics


Machine Design


Production Engineering


OVERVIEWS

»Research Fields

»Organisational Structure

»Persons



Dynamics of evolving particle ensembles (»Add to Infobox)

Research Leader: Professor John Ågren
Henrik Larsson


Physical Metallurgy

The principal aim of the project is to analyse theoretically simultaneous nucleation and coarsening of particles iThe principal aim of the project is to analyse theoretically simultaneous nucleation and coarsening of particles in multi-component crystalline systems and to formulate a mathematical model suitable for simulations. The project will involve the following three parts:
ab initio calculations of energies of small clusters (ca 100-200 atoms) using the so-called super cell approach (periodic boundary conditions),
growth of an undercritical nucleus by stochastic methods and by classical statistical mechanics (similar to Kelton's treatment),
simultaneous nucleation, growth and coarsening by a numerical solution of the Langer-Schwarz partial differential equation for the particle size distribution.

During all stages of the work model predictions will be analysed and compared with conventional thermodynamic data and phase diagram calculations as well as diffusion data. The predictions will be compared with direct experimental information on age-hardening kinetics available in the literature and at our lab, results from other projects.
n multi-component crystalline systems and formulate a mathematical model suitable for simulations. The project will involve the following three parts,- ab initio calculations of energies of small clusters (ca 100-200 atoms) using the so-called super cell approach (periodic boundary conditions),- growth of an undercritical nucleus by stochastic methods and by classical statistical mechanics (similar to Kelton's treatment),- simultaneous nucleation, growth and coarsening by a numerical solution of the Langer-Schwarz partial differential equation for the particle size distribution.During all stages of the work model predictions will be analysed and compared with conventional thermodynamic data and phase diagram calculations as well as diffusion data. The predictions will be compared with direct experimental information on age-hardening kinetics available in the literature and at our lab from other projects.


Period: 2004-01-01 - 2007-12-31

Keywords:
Ab initio, Diffusion, Nucleation

SOURCE OF FUNDING (1/1) 

VR (The Swedish Research Council)


SEARCH



»Advanced Search



INFOBOX (0/0) show all
Your infobox is empty




Powered by AVERISinfo@avedas.com