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Skip to Search Results- 8Zhang, Hao (Chemical and Materials Engineering)
- 2Li, Dongyang (Chemical and Materials Engineering)
- 1Choi, Phillip (Chemical and Materials Engineering)
- 1Li, Leijun (Chemical and Materials Engineering)
- 1Liu, Qingxia (Chemical and Materials Engineering)
- 1Zeng, Hongbo (Chemical and Materials Engineering)
- 1Gao, Muziyuan
- 1Khalkhali, Mohammad
- 1Mahmud, Gazi A
- 1Marchenko, Arina
- 1Shahsavari, Nima
- 1Tong, Xuhang
- 3Molecular-dynamics
- 1Annealing treatment
- 1Bauschinger effect
- 1CFD
- 1Carbon dioxide adsorption
- 1Cavitation
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A molecular dynamics modeling study on the mechanical behavior of nano-twinned Cu and relevant issues
DownloadFall 2010
As a candidate for dynamic electric contacts, Nano-twinned copper has intrinsic conductivity and enhanced fretting resistance. To better understand its general mechanical behavior, we conduct molecular dynamics simulation studies to investigate responses of nano-twinned copper to stress and to...
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A molecular dynamics simulation study on the deformation behavior for nanotwinned polycrystalline copper
DownloadSpring 2012
Present research is focused on the mechanical behavior of nanoscale copper with growth twins. Atomistic calculation (Molecular Dynamics simulation) with embedded-atom method potential was used to study the fundamental deformation processes that occur in columnar nanocrystalline copper. The...
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Experimental and numerical simulation of degradation of pollutants in water by microbubble-enhanced cold plasma activation -Degradation - Effect of pollutants’ initial concentration
DownloadSpring 2024
The necessity to secure reliable water resources has always been a challenge for human societies. Numerous factors contribute to heightened concerns, often resulting in serious crises for governments striving to ensure the provision of clean potable water for diverse purposes. At the same time,...
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Localization Model description of interfacial dynamics of free-standing nanoparticles and thin films, and nanoparticle on supporting interacting substrate
DownloadFall 2022
Localization model (LM) relates, without any free parameter, slow dynamics of α-relaxation time (τα) to fast dynamics of Debye-Waller Factor (DWF) or ⟨u2⟩, which is the mean square displacement of particles at a caging time on the order of picoseconds. Moreover, localization model can also...
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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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Probing the Surface Interaction Mechanisms of Air Bubbles and Oil Droplets with Hydrophobic Polymers, Asphaltenes and Bitumen
DownloadSpring 2023
Interfacial interactions among solid particles, gas bubbles and liquid drops play a critical role in numerous interfacial phenomena and biophysical and industrial processes, such as drug and gene delivery in biological systems, froth flotation and oil/water separation in mining and oil extraction...
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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...