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Computational Material Modeling For Mechanical Properties Prediction And A Methodology For Mie Gruneisen Equation Of State Characterization Via Molecular/Nano Scale Cementitious Material Constituents, Ahmed Mohamed Jan 2013

Computational Material Modeling For Mechanical Properties Prediction And A Methodology For Mie Gruneisen Equation Of State Characterization Via Molecular/Nano Scale Cementitious Material Constituents, Ahmed Mohamed

Dissertations

Cementitious materials have complex hierarchical structures with random features that range from nanometer (nm) to millimeter (mm) scale. Processes occurring at the nanometer scale affect the performance at larger length scales. The present work employs molecular dynamics (MD) simulations as the computational modeling methodology to predict mechanical properties for both hydrated and unhydrated cementitious materials at the molecular/nano scale level. A detailed study on the effect of increasing MD simulation cell size, dynamics time duration on the predicted mechanical properties was performed. Further studies focused on understanding the effect of higher thermodynamic pressure states on predicted …


Application Of Nano-Imprint Lithography For Next Generation Carbon Nanotube-Based Devices, Svitlana Fialkova Jan 2013

Application Of Nano-Imprint Lithography For Next Generation Carbon Nanotube-Based Devices, Svitlana Fialkova

Dissertations

This research report addresses the development of 3D carbon nanostructures that can provide unique capabilities for manufacturing carbon nanotube (CNT) electronic components, electrochemical probes, biosensors and tissue scaffolds. The shaped CNT arrays were grown on patterned catalytic substrate by chemical vapor deposition (CVD) method. The new fabrication process for catalyst patterning based on combination of nano-imprint lithography (NIL), magnetron sputtering and reactive etching techniques was proposed and studied. The optimal process parameters for each technique were evaluated. The catalyst was made by deposition of Fe and Co nanoparticles over alumina support layer on Si/SiO2 substrate. The metal particles were …