Muhammad Zeeshan Khalid
Background and activities
I am currently working as a postdoctoral fellow in the Functional Materials and Materials Chemistry (FACET) research group. My current research work is centered around understanding structural, mobility, and electrical transport properties of domain walls of ferroelectric materials using Density Functional Theory (DFT).
Main Advisor: Prof. Sverre M. Selbach
My Ph.D. was a part of a large project working on Sustainable Innovation for Automated Manufacturing of Multi-Material Products-SFI Manufacturing. I completed my PhD thesis titled “Atomistic modeling of Fe-Al and α-AlFeSi intermetallic compound interfaces” at the Department of Material Science and Engineering, NTNU Trondheim, under the supervision of Prof. Are Strandlie (NTNU). During my PhD, I worked on the Atomistic modelling of Fe-Al interfaces for joining aluminium and steel applications. Especially, I worked on the prediction of mechanical strengths of the Fe-Al compounds and interfaces observed at the joints of aluminium and steel using Density functional theory calculations.
Scientific, academic and artistic work
Displaying a selection of activities. See all publications in the database
- (2022) Atomic-Level Imaging and Quantification of Dopants in a Semiconducting Complex Oxide. MRS spring meeting . Material research society; 2022-05-10.
- (2021) First-principles study of tensile and shear strength of an Fe2Al5//Fe interface. Computational Materials Science. vol. 192.
- (2021) First-principles study of tensile and shear strength of Fe-Al and α-AlFeSi intermetallic compound interfaces. Computational Materials Science. vol. 187:110058.
- (2020) Atomistic modeling of Fe-Al and α-AlFeSi intermetallic compound interfaces. Norges teknisk-naturvitenskapelige universitet. 2020. ISBN 978-82-326-4525-1. Doktoravhandlinger ved NTNU (2020:86).
- (2020) Ab-initio study of atomic structure and mechanical behaviour of Al / Fe intermetallic interfaces. Computational Materials Science. vol. 174.
- (2019) Joining of Aluminium and Steel – from macro to nano – Experiments and Modelling. 5th Forum of Center for Advanced Materials Research and International Collaboration (CAMRIC-FORUM5), University of TOYAMA . Univ. of Toyama; Toyama. 2019-10-03 - 2019-10-04.
- (2019) EMMO: A semantic knowledge framework for materials and modelling User case: model interoperability via EMMO. EMMC Workshop 2019 Industrial Impact of Materials Modelling . European Materials Modelling Council; Turin. 2019-07-08 - 2019-07-10.
- (2019) An analytical method for the solution of two phase Stefan problem in cylindrical geometry. Applied Mathematics and Computation. vol. 342.