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Characterization Of Plastic Deformation Evolution In Single Crystal And Nanocrystalline Cu During Shock By Atomistic Simulations, Mehrdad Mirzaei Sichani
Characterization Of Plastic Deformation Evolution In Single Crystal And Nanocrystalline Cu During Shock By Atomistic Simulations, Mehrdad Mirzaei Sichani
Graduate Theses and Dissertations
The objective of this dissertation is to characterize the evolution of plastic deformation mechanisms in single crystal and nanocrystalline Cu models during shock by atomistic simulations. Molecular dynamics (MD) simulations are performed for a range of particle velocities from 0.5 to 1.7 km/s and initial temperatures of 5, 300 and 600 K for single crystal models as well as particle velocities from 1.5 to 3.4 km/s for nanocrystalline models with grain diameters of 6, 11, 16 and 26 nm. For single crystal models, four different shock directions are selected, <100>, <110>, <111> and <321>, and dislocation density behind the shock wave …
Phase Transformation In Monolayer Molybdenum Disulphide With And Without Defects Under Tension Predicted By Atomistic Simulations, Khanh Quoc Dang
Phase Transformation In Monolayer Molybdenum Disulphide With And Without Defects Under Tension Predicted By Atomistic Simulations, Khanh Quoc Dang
Graduate Theses and Dissertations
In addition to its use as a solid lubricant, molybdenum disulphide (MoS2) has gained recent attention as a possible substitute for silicon as it is increasingly difficult to keep shrinking down electronic devices made of silicon, the conventional electronic material. When thinned down to atomic thickness, monolayer MoS2 possesses very unique and promising electronic and electrical properties. Unlike electronic and electrical properties, knowledge of the mechanical properties and role of structural defects on these properties of monolayer MoS2 is unexplored. For this thesis, the two main objectives are (1) to gain insight about the failure mechanism of monolayer MoS2 by …