Zaeem Research Group

Computational Materials & Mechanics Laboratory (CMML)

Welcome to CMML! Our research lab is focused on developing and integrating computational modeling tools and performing large-scale parallel simulations to study and predict nano- and microstructures, properties, and failure mechanisms of advanced materials. Our current research interests include connecting atomistic simulations to phase-field crystal and phase-field–finite element models for predicting nano- and microstructural evolutions during solidification, grain growth, and solid state phase transformation in light-weight and energy related materials.

To calibrate and validate our modeling efforts, we employ different experimental techniques, such as optical microscope, scanning electron microscope (SEM-orientation image mapping) and transmission electron microscope (TEM).


Mohsen Asle Zaeem, Ph.D.

Roberta and G. Robert Couch Assistant Professor

Department of Materials Science & Engineering

Adjunct Professor, Mechanical and Aerospace Engineering
Missouri University of Science and Technology

132 Straumanis-James Hall
401 W. 16th St., Rolla, MO 65409-1170


Phone: (573) 341-7184


Contact Information

Recent Publications

(to receive a PDF copy of an article send an email to

A. Mahata, M. Asle Zaeem, and M.I. Baskes. Understanding homogeneous nucleation in solidification of aluminum by molecular dynamics simulationsModeling and Simulations in Materials Science and Engineering 26 (2018) 025007 (31pp).

M. Beyramali Kivi, C.S. Kriewall, and M. Asle Zaeem. Formation of chromium-iron carbide by carbon diffusion in AlxCoCrFeNiCu high entropy alloys. Materials Research Letters 6 (2018) 321-326.

Y. Hong, N. Zhang, and M. Asle Zaeem. Metastable phase transformation and deformation twinning induced hardening-stiffening mechanism in compression of silicon nanoparticles. Acta Materialia 145 (2018) 8-18.

N. Zhang and M. Asle Zaeem. Role of grain boundaries in determining strength and plastic deformation of yttria-stabilized tetragonal zirconia bicrystals. Journal of Materials Science 53 (8) (2018) 5706-5718.

T. Mukhopadhyay, A. Mahata, S. Adhikari, and M. Asle Zaeem. Probing the shear modulus of two-dimensional multiplanar nanostructures and heterostructures. Nanoscale 10 (2018) 5280-5294.

M. Beyramalikivi and M. Asle Zaeem. Generalized stacking fault energies, ductilities, and twinnabilities of CoCrFeNi-based face-centered cubic high entropy alloys. Scripta Materialia 139 (2017) 83-86. 

N. Zhang and M. Asle Zaeem. Effects of specimen size and Y2O3 content on mechanical properties of single crystalline yttria-stabilized tetragonal zirconia nanopillars. Journal of Applied Physics 122 (2017) 014302.

M. Beyramalikivi, M. Asle Zaeem, and S. Lekakh. Investigating phase formations in casting of AlFeCoNiCu high entropy alloys by combination of computational modeling and experiments. Materials and Design 127 (2017) 224-232. 

J. Bair, M. Asle Zaeem, D. Schwen. Formation path of δ hydrides in zirconium by multiphase field modeling. Acta Materialia 123 (2017) 235-244.

T. Mukhopadhyay, A. Mahata, S. Adhikari, and M. Asle Zaeem. Effective elastic properties of two dimensional multiplanar hexagonal nano-structures. 2D Materials 4 (2017) 025006.

E. Asadi and M. Asle Zaeem. Quantitative phase-field crystal modeling of solid-liquid interfaces for FCC metals. Computational Materials Science 127 (2017) 236-243.

N. Zhang and M. Asle Zaeem. Competing mechanisms between dislocation and phase transformation in plastic deformation of single crystalline yttria-stabilized tetragonal zirconia nanopillars. Acta Materialia 120 (2016) 337-347.

J. Bair, M. Asle Zaeem, M. Tonks. A phase-field model to study the effects of temperature change on nucleation and growth of γ-hydrides in zirconium. Journal of Physics D: Applied Physics 49 (2016) 405302 (10pp).