Program:

Review of Fourier and Laplace transformations. Distribution - Generalized functions theory :

1. COMPLEX ATOMIC STRUCTURES: diffraction data fits versus energy optimization.
2. PHASE STABILITY. Energy versus entropy, concept of free energy. Vibrational and configurational entropy.
3. ANNEALING METHODS AND SCHEMES. Molecular dynamics and Monte Carlo. Replica exchange method. Genetic algorithm. Random search.
4. Density functional theory and empirical potentials. Embedded-atom method. Oscillating pair potentials.
5-6. Laboratory 1-2: setting up virtual box, introduction to the tools for structural/energetic construction, diagnostics, refinement.
7-8. Laboratory 3-4: Modelling crystallization of Al-rich and Mg-rich systems (light/superlight materials) using empirical potentials.
9-10. Laboratory 5-6: Prediction of low-temperature phases in Al-rich and Mg-rich alloys.

Schedule: 4.03.2013 - 22.03.2013, place: AGH D-10

Lectures:
Monday 10:00 - 12:30 room 108
Tuesday 17:45 - 19:15 room 224
Wednesday 16:15 - 18:45 room 224

Laboratory:
Thursday 11:00 - 13:30 room 207
Friday 11:15 - 13:45 room 206

Seminar:
In the last week
Monday 10:00 - 12:30 room 108
Tuesday 17:45 - 19:15 room 224
Wednesday 16:15 - 18:45 room 224

• Graduated in Solid State Physics, Comenius University, Bratislava 1987
• PhD "Atomic structure of quasicrystals" 1994, Slovak Acad. of Sciences
• currently independent researcher at Institute of Physics, Slovak Academy of Sciences
• Research, methods: structure modelling, development of new methods for "energetic refinement of complex atomic structures" in collaboration with Mike Widom (Carnegie-Mellon University) and C. L. Henley (Cornell University).
• Search for new materials with quasiperiodic order.
• Simulation of atomic dynamics in alloys with complex structure.
• collaboration with Marc de Boissieu (SIMAP Grenoble). Formation and stability of metallic glasses (collaboration with M. Widom). Band-gap engineering for multicomponent alloys.