Bulletin of the American Physical Society
2016 Fall Meeting of the APS Prairie Section
Volume 61, Number 10
Thursday–Saturday, October 6–8, 2016; Northern Illinois University, DeKalb, Illinois
Session B1: Condensed Matter and Materials Physics |
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Chair: Carol Thompson, Northern Illinois University Room: Wirtz Hall 101 |
Friday, October 7, 2016 9:30AM - 10:05AM |
B1.00001: Future Science Capabilities Enabled by the Upgraded APS Invited Speaker: Alec Sandy The Advanced Photon Source (APS) is a 7 GeV electron storage ring located at Argonne National Laboratory that has, since 1995, produced bright synchrotron x-ray beams to enable 1,000’s of users from a wide variety of scientific backgrounds to pursue new knowledge about the structure and function of materials. A major upgrade is being planned to this facility, so-called APS-U, that will improve key capabilities at the APS by a factor of 100 or more. In my talk, I will provide a brief overview of the APS today and describe important features of the APS upgrade. As part of the proposed upgrade, several beamlines will either be rebuilt or undergo major enhancements to provide world-leading capabilities with, for example, focused x-rays or coherent x-rays. I will provide an overview of these beamlines and the new science opportunities that they will enable. [Preview Abstract] |
Friday, October 7, 2016 10:05AM - 10:17AM |
B1.00002: Adsorption of Natural Gas Containing Propane in Graphene Nanocells Using Molecular Dynamics Simulations Ian Crawford-Goss, Michael Roth, Carlos Wexler Natural gas (NG) is a promising fuel for vehicular use due to its comparatively small CO2 emissions. Storage via adsorption into carbon nanocells permits the use of storage tanks at reduced pressures, resulting in cost savings, added safety and smaller loss of cargo volume. Since NG is comprised of methane (87-99{\%}), other heavier components are often ignored in studies. We performed Molecular Dynamics simulations to understand the behavior of the heavier components of NG adsorbed into carbon nanocells. Our studies focus on the adsorption of mixtures of methane and either ethane or propane. In this work we show that propane experiences preferential adsorption, partially inhibiting the adsorption of methane, and resulting in saturation at lower pressures. At room temperature, the adsorption of propane is irreversible (vs. methane which reversibly adsorbs/desorbs by pressure swings). Long-term, this would mean that adsorption tanks would gradually see a reduction of storage and performance without further treatment. However, we also observe that propane remains highly mobile within each pore, with a diffusion constant of the same order of magnitude as that of methane. We discuss possible combined thermal/pressure-swing treatments that would desorb heavier molecules. [Preview Abstract] |
Friday, October 7, 2016 10:17AM - 10:29AM |
B1.00003: Invariant Expansion of Monolayer MoS$_2$ electron states at the $K$ point Edward Aris Diaz Fajardo, Roland Winkler Using group theory, we derive the invariant expansion for the Hamiltonian of the electron states at the $K$ points of monolayer Molybdenum Disulfide (MoS$_2$), a transition metal dichalcogenide (TMDC). Unlike monolayers of graphite known as graphene, TMDCs provide a wider variety of physical phenomena due to the strong spin-orbit coupling attributed to the higher atomic number of the metal atoms. Our results also include the effects of external electric and magnetic fields. The low-order terms in the derived Hamiltonian are consistent with previous studies on the same material. [Preview Abstract] |
Friday, October 7, 2016 10:29AM - 10:41AM |
B1.00004: Temperature-dependent structure measurements of imidazolium-based ionic liquids with varying alkyl chain length Nicholas Mauro, Dean Edson Room-temperature ionic liquids (RTILs) are organic compounds attracting a great deal of attention as solvents in a wide variety of applications including as electrolytes in Li-ion batteries. An understanding of the nanoscale structure in these RTILs is essential for understanding their solvency and their electrochemical properties hopefully leading to new high-performance materials. We report on the static structure factors from high-energy synchrotron and laboratory source x-ray diffraction experiments on a series of four homologous ionic liquids. The ionic liquids are 1-alkyl-3-methylimidazolium paired with the triflate anion, with alkyl chain lengths of 4, 6, 8, and 10 carbons. While all structure factors show a distinct prepeak and main peak, a so called ``first sharp diffraction peak'' is observed for alkyl chain lengths of 6, 8, and 10. In this talk, we discuss the association of these features with structures in the liquid and the possible implications for transport mechanisms associated with AC and DC conductivity measurements. The temperature dependence of these features indicates a complicated interplay between entropic and enthalpic tendencies on the evolution of intermolecular structures. [Preview Abstract] |
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