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- 1Annealing treatment
- 1Carbon dioxide adsorption
- 1Grain boundary
- 1Layered double hydroxides
- 1Nanocrystalline
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On the Atomistic Simulation Approach Towards the Structural Stability of the ZnS Nanoparticles
DownloadFall 2015
Recently, ZnS quantum dots have attracted a lot of attention since they can be a suitable alternative for cadmium-based quantum dots, which are known to be highly carcinogenic for living systems. Suitable optoelectronic properties and non-toxic nature of ZnS quantum dots capacitate exiting...
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Study of the Thermal Stability of Hydrotalcite and Carbon Dioxide Capture Capacity of Hydrotalcite-derived Mixed Oxides using Molecular Dynamics Simulation
DownloadFall 2017
Hydrotalcites (HTlcs) or layered double hydroxides (LDHs) are used in a wide range of applications such as catalysis, electrochemical sensors, wastewater treatment and carbon dioxide (CO2) capture. In this study, molecular dynamics simulation was employed to investigate carbon dioxide adsorption...
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The effects of annealing treatment on mechanical properties of nanocrystalline α-iron: an atomistic study
DownloadFall 2015
Nanocrystalline metallic materials demonstrate superior mechanical, optical, and electric properties. Claims are often found in the literature that metallic materials can be nanocrystallized by severe plastic deformation (SPD). However, SPD does not generate a well-defined nanocrystalline...