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Full-Text Articles in Computational Engineering

The Effect Of Oxygen On Properties Of Zirconium Metal, Jie Zhao Mar 2020

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 …


Coarse-Grained Dynamically Accurate Simulations Of Ionic Liquids At Vacuum-Interface, Tyler D. Stoffel Jan 2020

Coarse-Grained Dynamically Accurate Simulations Of Ionic Liquids At Vacuum-Interface, Tyler D. Stoffel

Theses and Dissertations--Mechanical Engineering

Ionic liquids, possessing improved properties in many areas of technical application, are excellent candidates as components in development of next-generation technology, including ultra-high energy batteries. If they are thus applied, however, extensive interfacial analysis of any selected ionic configuration will likely be required. Molecular dynamics (MD) provides an advantageous route by which this may be accomplished, but can fall short in observing some phenomena only present at larger time/length scales than it can simulate. Often times this is approached by coarse-graining (CG), with which scope of simulation can be significantly increased. However, coarse-grained MD systems are generally known to produce …