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Full-Text Articles in Computational Engineering
Real-Time Tddft-Based Filtered Spectroscopy, Ivan Williams
Real-Time Tddft-Based Filtered Spectroscopy, Ivan Williams
Masters Theses
We demonstrate the ability to simulate targeted excitation of atomistic systems using our real-time TDDFT-based simulation framework NESSIE. Traditional ap- proaches for extracting spectra through real-time TDDFT involves excitation of all frequencies via impulse requiring long simulation times and yielding poor resolution. By exciting the system with a modulated sinc pulse between the frequencies of inter- est we are able to obtain a spectral response with far more precision in a significantly shorter time frame than competing implementations.
The Effect Of Oxygen On Properties Of Zirconium Metal, Jie Zhao
The Effect Of Oxygen On Properties Of Zirconium Metal, Jie Zhao
Doctoral Dissertations
The influence of oxygen on the thermophysical properties of zirconium has been investigated using MSL-EML (Material Science Laboratory Electromagnetic Levitator) on ISS (International Space Station) in collaboration with NASA (National Aeronautics and Space Administration), ESA (European Space Agency), and DLR (German Aerospace Center). Zirconium samples with different oxygen concentrations was subjected to multiple melt cycles during which the thermophysical properties, such as density, viscosity and surface tension, have been measured at various undercooled and superheated temperatures. Also, there are melt cycles for verifying the solidification mechanism. Similar samples were found to show anomalous nucleation of the solid for certain ranges …
Computational Modeling Of Laminated Veneer Bamboo (Lvb) Dowel Joints, Niloufar Khoshbakht
Computational Modeling Of Laminated Veneer Bamboo (Lvb) Dowel Joints, Niloufar Khoshbakht
Doctoral Dissertations
Laminated veneer bamboo (LVB) is a sustainable building material that has been gaining interest in the construction industry of late. As a relatively new product, little is known about its connection performance, specifically, its failure behavior in dowel type joints and possible similarities it may have to engineered wood products in terms of failure mechanisms. Research is needed to aid in the understanding of LVB dowel connection failure behavior and to quantify the failure mechanism and key factors associated with LVB dowel connection strength. Modeling, as conducted in this research, is a valuable tool to help devise safe standards and …