mohsenzaeem's blog

A PostDoc/Research Associate Position is available immediately at Colorado School of Mines. The applicants should have a PhD degree in Mechanical Engineering, Materials Science or a relevant field, with a strong background in phase-field modeling and/or MD simulations, especially in the area of diffusionless phase transformation and ferroelasticity. Knowledge of machine learning and data analysis is a plus. Interested candidates should send their CV with 2-3 of their recent and reverent publications to zaeem@mines.edu (Prof.

G. Azizi, S. Kavousi, and M. Asle Zaeem. Interactive effects of interfacial energy anisotropy and solute transport on solidification patterns of Al-Cu alloys. Acta Materialia 231 (2022) 117859 (15 pages). 

A PostDoc/Research Associate Position is available immediately at Colorado School of Mines. The applicants should have a PhD degree in Mechanical Engineering, Materials Science or a relevant field, with a strong background in MD simulations and/or phase-field modeling. The project involves developing new models for diffusionless phase transformation and ferroelasticity. Knowledge of machine learning and data analysis is a plus. Interested candidates should send their CV with 2-3 of their recent and reverent publications to zaeem@mines.edu (Prof.

A PostDoc/Research Associate Position is available immediately at Colorado School of Mines. The applicants should have a PhD degree in Mechanical Engineering, Materials Science or in a relevant field, with a strong background in DFT calculations, MD simulations and/or phase-field modeling. Project involves developing new models for diffusionless phase transformation and ferroelasticity. Knowledge of machine learning and data analysis is a plus.

In this work, superelastic and shape memory properties of single crystalline and polycrystalline yttria stabilized tetragonal zirconia (YSTZ) nanoparticles are studied by atomistic simulations. N. Zhang and M. Asle Zaeem. Superelasticity and shape memory effect in zirconia nanoparticles. Extreme Mechanics Letters 46 (2021) 101301 (8 pages).

A modified phase-field model for fracture is presented which includes the material strength and cleavage planes to quantitatively predict the crack propagation path and the mechanical response in polycrystalline brittle materials. Computational Materials Science 197 (2021) 110642 (11 pages).

Mechanical performance of silicon nanopillars with homogeneous and gradient nanotwinned structures are investigated through a series of molecular dynamics simulations. The most observed Σ3 twin boundary (TB) with two preferable (lowest surface energy) planes of {111} and {001} are used to generate homogeneous and gradient nanotwinned structures. Simulations of compression and tension of nanotwinned pillars reveal an extra strengthening behavior due to the addition of Σ3 TBs when compared to the single crystalline nanopillar without any TBs.

Dear iMechanica colleagues, I am pleased to share with you our newest paper on qauntitative prediction of rapid solidification. S. Kavousi, B. Novak, D. Moldovan, and M. Asle Zaeem. Quantitative prediction of rapid solidification by integrated atomistic and phase-field modeling.

The effects of applied load on the formation and reorientation of deltahydrides in alpha-zirconium matrix are studied by a multiphase field model.

(open access) C. Cissé and M. Asle Zaeem. An asymmetric elasto-plastic phase-field model for shape memory effect, pseudoelasticity and thermomechanical training in polycrystalline shape memory alloys. Acta Materialia 201 (2020) 580-595.

A phase-field model based on a modified form of the regularized formulation of Griffith’s fracture theory is presented to investigate intergranular and transgranular crack propagations in polycrystalline brittle materials. Grains and grain boundaries are incorporated in the crack initiation and propagation model based on a phase-field model for grain growth, in which the elastic anisotropy varies based on the grain orientation angle, and the grain boundary energy is related to the misorientation angle of the adjacent grains.

Open Access
A. Emdadi, J. Watts, W.G. Fahrenholtz, G.E. Hilmas, and M. Asle Zaeem. Predicting effective fracture toughness of ZrB2 based ultra-high temperature ceramics by phase-field modeling.  Materials & Design 192 (2020) 108713 (11 pages).

Thomas, M.S. Manju, K.M. Ajith, S.U. Lee and M. Asle Zaeem. Strain-induced work function in h-BN and BCN monolayers.  Physica E: Low-dimensional Systems andNanostructures 123 (2020) 114180 (9 pages).  

Abstract

C. Cissé and M. Asle Zaeem. A phase-field model for non-isothermal phase transformation and plasticity in polycrystalline yttria-stabilized tetragonal zirconia.  Acta Materialia 191 (2020) 111-123. 

S. Thomas, A. Kulangara Madam, and M. Asle Zaeem. Stone-Wales defect induced performance improvement of BC3 monolayer for high capacity lithium-ion rechargeable battery anode applications. The Journal of Physical Chemistry C (2020) (10 pages). 

N. Zhang and M. Asle Zaeem. Nanoscale flaw tolerance behaviour of polycrystalline tetragonal zirconia nanopillars. International Journal of Mechanical Sciences 173 (2020) 105405 (7 pages). 

A. Mahata, M. Asle Zaeem. Size effect in molecular dynamics simulation of nucleation process during solidification of pure metals: investigating modified embedded atom method interatomic potentials.

Directional solidification of Al-11 at % Cu is investigated by molecular dynamics (MD) simulations utilizing second nearest neighbor modified embedded atom method (2NN-MEAM) interatomic potential. The condition for directional solidification is produced by imposing dissimilar temperatures at the model boundaries along the [1 0 0] solidification direction to create a temperature gradient. During solidification, the solid-liquid front travels through the Al-Cu liquid along the [1 0 0] direction towards the high temperature end.

Shape memory ceramics, such as yttria-stabilized tetragonal zirconia (YSTZ), offer unique properties including ultra-high operating temperatures and high resistance to oxidation. However, they are susceptible to formation of defects during manufacturing and/or by mechanical deformation. To completely take advantage of their shape memory properties, it is necessary to fully understand the nano-structural evolution of defects under external stimuli. In this study, defect evolution behaviors in YSTZ nanopillars are investigated by atomistic simulations.