A5003567100- Nuclear Materials and Properties
- Fusion materials and technologies
- Microstructure and mechanical properties
- nanoparticles nucleation surface interactions
- Nuclear materials and radiation effects
- Aluminum Alloy Microstructure Properties
- Metallurgy and Material Forming
- Aluminum Alloys Composites Properties
- High Temperature Alloys and Creep
- Solidification and crystal growth phenomena
- Nuclear reactor physics and engineering
- Advanced ceramic materials synthesis
- Advanced Materials Characterization Techniques
- Titanium Alloys Microstructure and Properties
- Material Properties and Applications
- Hydrogen embrittlement and corrosion behaviors in metals
- Intermetallics and Advanced Alloy Properties
- Machine Learning in Materials Science
- Nanopore and Nanochannel Transport Studies
- Advanced Thermodynamics and Statistical Mechanics
- Metal and Thin Film Mechanics
- Metal Forming Simulation Techniques
- Hydrogen Storage and Materials
- High-Temperature Coating Behaviors
- Rare-earth and actinide compounds
Canadian Nuclear Laboratories
2021-2024
Queen's University
2017-2023
Kingston University
2021
National Research Council Canada
2021
McMaster University
2013-2017
Sharif University of Technology
2012
A modified version of the Stillinger–Weber (SW) interatomic potential for pure Si has been developed. In contrast to original SW form, allows one grow diamond cubic crystal structures from melt at high temperatures. Now, combined with an embedded atom (EAM) description Al developed by Mendelev et al formulate Al–Si binary angular EAM type. The reproduces quite well experimental enthalpy mixing in liquid. It also predicts phase diagram a eutectic concentration liquid that agrees values within...
Production rates in long-term predictive radiation damage accumulation models are generally considered independent of the material's microstructure for reactor components. In this study, effect preexisting microstructural elements on primary production \ensuremath{\alpha}-Zr---and vice versa---is assessed by molecular dynamics (MD) simulations. $a$-type dislocation loops, $c$-component and a tilt grain boundary (GB) were considered. Primary is reduced presence all these elements, clustering...
Recent experimental studies have revealed the selective permeation properties of lamellar graphene oxide (GO) membranes as applied to filtration water isotopes. In this work, we explore molecular structures and diffusive dynamics isotopes in GO membrane nanochannels by employing ReaxFF reactive simulations. The significance isotope effects their role interactions between light/heavy functional groups are identified, it is found that separation driven a combination phase change from liquid...
Radiation-induced segregation of alloying elements to crystallographic defects is commonly observed in irradiated austenitic stainless steels. The interaction between solutes and radiation-induced changes the physical distribution thus affects formation growth defects. change microstructure consequently mechanical properties material. A qualitative quantitative understanding desirable better predict service lifetime nuclear materials. We used atom probe tomography measure at dislocation...
This study reports in situ observations of the formation δ′-ZrO phase, occurring during annealing transmission electron microscopy (TEM) thin foils both pure Zr and a Zr–Sn–Nb–Mo alloy at 973 K microsope. The lattice parameters were measured determined to be similar those ω-Zr phase. orientation relationship between α-Zr phases has been identified as either {(11 \overline{2}0)}_{\rm ZrO}//{(0002)}_{\alpha} {[0002]}_{\rm ZrO}//{[11 \overline{2}0]}_{\alpha} or {(\overline{1}011)}_{\rm...
Previous simulation studies of the effect volume fraction on precipitate coarsening process have treated precipitates as point sources or sinks solute atoms. These demonstrated that, although average particle size varying with time is still valid, rate constant an increasing function fraction. In this study we extend these methods to model near grain boundaries. An essential feature new depletion that occurs at The results are shown quantitatively reproduce following aspects boundaries in...
In the quest to identify more effective catalyst nanoparticles for many industrially important applications, Au–Pt system has gathered considerable attention. Despite effort interplay between phase equilibrium behavior and surface segregation in is still poorly understood. Here we investigate of 20 nm using a combination high-resolution scanning transmission electron microscopy hybrid Monte Carlo molecular dynamics atomistic simulation technique. Our approach takes into account effects...