ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

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M.Sc. Abril Azócar Guzmán

Doctoral Candidate

Group: Mechanical Properties of interfaces
Department of Micromechanical and Macroscopic Modelling

ICAMS
Ruhr-Universität Bochum
IC 02-759
Universitätsstr. 150
44801 Bochum
 
Tel. +49 234 32 22434
Fax: +49 234 32 14984
Email: Abril Azócar Guzmán

My mission:

Structure of theΣ5(310)[001] iron symmetrical tilt grain boundary (GB). GB monolayer is occupied with either carbon or hydrogen (orange).
I'm a materials science engineer working with ab initio calculations to bridge the gap between mechanical properties and atomic structure. Currently, my research project is focused on the co-segregation of C and H to bcc Fe grain boundaries. Specifically, how the solution energies of the C and H atoms change under mechanical load and different concentrations. This is achieved by performing ab initio tensile tests, using spin polarized density functional theory (DFT) calculations. Another aspect I'm interested in, is the computational and technical workflows of using such techniques on DFT.

Research Interests:


Grain boundary segregation
DFT calculations, mechanical properties of interfaces

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Professional Experience

IMPRS Surmat fellow

Education

2017 M.Sc. Materials Science and Simulation, Ruhr-Universität Bochum, Germany
2014 B.Eng. Materials Science and Engineering, Simon Bolivar University, Venezuela

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