Laboratory Supervisor: Assoc.Prof. Dr. Öncü AKYILDIZ
Overview
Computational Materials Science is the investigation of materials science problems through modeling (determining physical and mathematical relations) and simulation (making numerical predictions based on the model). The research topics and techniques employed in the laboratory can be listed as follows: 1) Microstructure simulations; diffusion-controlled solid surface/interface motions; 2) Electromigration and surface diffusion-induced thin film damage; 3) Phase field models; cathode materials undergoing phase transformation during Li inclusion/exclusion; 4) Finite difference, finite element, boundary element, and parallel computing techniques.
Equipment
HP Z820: 2x Intel® Xeon® E5-2650 v2 CPU, 64GB ECC RAM, K2000 2GB VGA, 2TB 7.2K rpm HDD (Sirius)
HP Z820: 2x Intel® Xeon® E5-2650 v2 CPU, 64GB ECC RAM, K600 1GB VGA, 2TB 7.2K rpm HDD (Betelgeuse)
HP Z840: 2x Intel® Xeon® E5-2697 v3 CPU, 96GB ECC RAM, K620 2GB VGA, 2TB 7.2K rpm HDD (Procyon)
Kış Üçgeni: 120 hesaplama öbeği ve 224 GB ECC bellekten oluşan ubuntu mpich kümesi
HP Z1: Intel® Xeon® E3-1245 CPU, 32GB ECC RAM, K2100 2GB VGA, 1TB 10K rpm HDD (Rigel)
Cisco Catalyst 2960-S
Tunçmatik Newtech Pro Plus Online KGK 6 kVA
Granta Design CES Selector
Research Projects
Investigation of microstructural evolution of nanoscale LiFePO4 cathode particles and the kinetics of galvanostatic cycling using a coupled phase field model and smoothed boundary method in three-dimensional space (09/2013 - 09/2015) TÜBİTAK 3501
Modeling and computer simulation of surface reconstruction in polycrystalline thin films under tensile stress by coupled grain boundary and surface diffusion (09/2014 - 09/2016) TÜBİTAK 1001
