ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

Atomistic Modelling and Simulation (AMS)

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Isabel Pietka

Doctoral Candidate

Group: Atomistic Simulation of Structural and Phase Stability
Department of Atomistic Modelling and Simulation

ICAMS
Ruhr-Universität Bochum
IC 02-577
Universitätsstr. 150
44801 Bochum
 
Tel. +49 234 32 19033
Email: Isabel Pietka

My mission:

In my project, I focus on the influence of defects and interfaces on the structural stability in Ni-based superalloys and model the electronic structure by utilizing atomistic simulation methods. This includes high-throughput and large-scale simulations employing ab-initio methods, analytic bond-order potentials, and molecular dynamics. As a part of project C1 of SFB / TR 103 I investigate the effect of refractory elements on extended defects on extended defects in Ni-based superalloys.

Research Interests:


Large-scale simulations
Atomistic modelling
Bond-order potentials
Structural trends superalloys
First-principle calculation
Molecular dynamics

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