Contents Acknowledgements3 Keynote Speaker4 Title . .4 Abstract . .4 Biography . .5 Timetable6 Tuesday, July 21st .................................6 Wednesday, July 22nd ...............................7 List of Abstracts – Talks8 Tuesday . .8 Oral Session 1 . .8 Oral Session 2 . .8 Wednesday . .9 Oral Session 3 . .9 Oral Session 4 . .9 List of Abstracts – Posters 29 Wednesday . 29 Poster Session 1 . 29 Poster Session 2 . 31 2 Acknowledgements The Oak Ridge Postdoctoral Association (ORPA) and research committee would like to thank lab leadership, all volunteers, administrative assistants, Information Technology Services Division, and the ORNL community as a whole for their continued support of our annual Research Symposium. This event would not be possible without your continued commitment! We are honored to have Dr. Tresa M. Pollock this year’s keynote speaker. Our special thanks go to Moody Altamimi and Lynn Kszos for their guidance and support for the Postdoctoral Program and ORPA over this past year. We would further like to thank Dionne Harper, Laurie Varma, and Cydne Albers for their contribution to the success of this event. Organizing Committee Moody Altamimi Anne Berres Gemechis Degaga Lu Han Sara Isbill Syed Islam Lynn Kszos Phil Lotshaw Claire Marvinney Peter Mouche Marie Romendenne Tyler Spano Miguel Toro-Gonzalez ORPEX20 (left to right): Sara Isbill, Tyler Spano, Miguel Toro-Gonzalez, Natasha Ghezawi, Gemechis Degaga, Lu Han, James Kammert, Lynn Kszos, Peter Mouche, Syed Islam, Claire Marvinney 3 Keynote Speaker Tresa M. Pollock, Ph.D. Materials Department University of California Santa Barbara Title Development of the TriBeam Tomography Platform and Acquisition of Multimodal 3D Materials Data Abstract The development of high fidelity material property and life prediction models often requires three-dimensional information on the distribution of phases, interfaces, grains or extrinsic defects. Such high-resolution chemical, crystallographic and morphological data requires multiple detectors and presents unique image and data challenges. The development of the TriBeam platform to gather multimodal materials data will be described. An overview of the ceramic, metallic and composite material datasets gathered to date will be given. New insights gained from the 3D datasets on structure development during additive manufacturing, crack initiation during fatigue and shock loading of polycrystalline alloys will be given. Finally, the challenges for integrating experimental voxelized data with models for prediction of mechanical properties will be addressed. 4 Biography Tresa Pollock is the Alcoa Distinguished Professor of Materials and Associate Dean of Engineering at the University of Cali- fornia, Santa Barbara. Pollock’s research focuses on the mechanical and environmen- tal performance of materials in extreme environments, unique high temperature ma- terials processing paths, ultrafast laser- material interactions, alloy design and 3-D materials characterization. Pollock gradu- ated with a B.S. from Purdue University in 1984, and a Ph.D. from MIT in 1989. She Tresa Pollock, Ph.D. was employed at General Electric Aircraft Engines from 1989 to 1991, where she con- ducted research and development on high temperature alloys for aircraft turbine engines and co-developed the single crystal alloy Ren (now in service). Pollock was a professor in the Department of Materials Science and Engineering at Carnegie Mellon University from 1991 to 1999 and the University of Michigan from 2000 - 2010. Her recent research has focused on development of new femtosecond laser-aided 3-D tomography techniques, damage detection and modeling by resonant ultrasound spectroscopy, thermal barrier coatings systems, new intermetallic-containing cobalt-base materials, nickel base alloys for turbine engines, lightweight magnesium alloys, Heusler-based thermoelectrics and bulk nanolaminates. Professor Pollock was elected to the U.S. National Academy of Engineering in 2005, the German Academy of Sciences Leopoldina in 2015, and is a DOD Vannevar Bush Fellow and Fellow of TMS and ASM International. She serves as Editor in Chief of the Metallurgical and Materials Transactions family of journals and was the 2005-2006 President of The Minerals, Metals and Materials Society. 5 Timetable WR: Welcome Remarks, KS: Keynote Speaker, OS: Oral Session PS: Poster Session, CR:Closing Remarks Tuesday, July 21st Event Sara Isbill, [email protected]; Miguel Toro Gonzalez, [email protected] contact Location Online via Teams (oral presentations and keynote) and iSeeVC (posters) Dr. Michelle Buchanan, 12:45–1:00 Welcome Remarks and WR ORNL Deputy for Science and pm Speaker Introduction Technology 1:00–2:00 KS Keynote Speaker Dr. Tressa Pollock pm 2:00–2:10 Break pm Jiadeng Zhu, Syed Z. Islam, 2:10–3:20 Xiangru Kong, Sudhajit Misra, OS Oral Session 1 pm Hanns Gietl, Richard Michi, Matthew Hall 3:20–3:30 Break pm Kubra Yeter Aydeniz, Caroline 3:30–4:40 Gorham, Byungkwon Park, Bill Kay, OS Oral Session 2 pm Paul Eller, Justin Gage Lietz, Shilpa Marti 6 WR: Welcome Remarks, KS: Keynote Speaker, OS: Oral Session PS: Poster Session, CR:Closing Remarks Wednesday, July 22nd Event Sara Isbill, [email protected]; Miguel Toro Gonzalez, [email protected] contact Location Online via Teams (oral presentations and keynote) and iSeeVC (posters) 10:00–11:30 PS Poster Session 1 Presenters am 11:30–12:15 Lunch Break pm 12:15–1:45 PS Poster Session 2 Presenters pm 1:45–2:00 Break / switch from iSeeVC to Teams pm Sudarshan Srinivasan, Devon Drey, 2:00–3:10 Alex Chien, Daniel Kneller, Bo OS Oral Session 3 pm Jiang, Peng Shuai, Ashleigh Kimberlin 3:10–3:20 Break pm Gemechis Degaga, Nicholas Dove, 3:20–4:20 OS Oral Session 4 Erin Creel, Debasis Banik, pm Elizabeth Neumann, Michelle Pitts Dr. Moody Altamimi, 4:20–4:30 CR Closing Remarks Director, Office of Research pm Excellence 7 List of Abstracts – Talks Tuesday >>Timetable Oral Session 1 Time Presenter Title 2:10-2:20 Jiadeng Zhu Advanced Fibers Enabled Better Batteries for Next-Generation Elec- tric Vehicles 2:20-2:30 Syed Islam Separation and Recovery of Critical Materials from Electronic Waste 2:30-2:40 Xiangru Kong Light-induced chiral edge states in two-dimensional stable ferromag- netic semiconductors 2:40-2:50 Sudhajit Misra Back-surface Etching Leads to Efficiency Limiting Detrimental Effects in Cadmium Telluride Thin Film Solar Cells 2:50-3:00 Hanns Gietl Tungsten based refractory material composite for fusion applications - theoretical evaluation 3:00-3:10 Richard Michi Advances in the Development of Cast and Additively Manufactured High-temperature Aluminum Alloys 3:10-3:20 Matthew Hall Development of SOLSTISE: A Supersonic Gas Jet Target for Solenoidal Spectrometers Oral Session 2 Time Presenter Title 3:30-3:40 Kubra Aydeniz Scattering in the Ising Model Using Quantum Lanczos Algorithm 3:40-3:50 Caroline Gorham Topological-Order in Condensed Matter (Complex & Quaternion Symmetries): A Novel Perspective on Frustrated Crystals & Glassy Dynamics & the ’Ideal Glass Transition’ as a 1st Order Critical Point 3:50-4:00 Byungkwon Park Examination of Semi-Analytical Solution Methods in the Coarse Operator of Parareal Algorithm for Power System Simulation 4:00-4:10 Bill Kay Neuromorphic Computing and Graph Algorithms 4:10-4:20 Paul Eller Scalable Non-blocking Krylov Solvers for Extreme-scale Computing 4:20-4:30 Justin Lietz NTCL: A GPU Accelerated Tensor Contraction Library for Nuclear Physics 4:30-4:40 Shilpa Marti Evaluation platform for sub modules in MMC systems through Power Electronics Hardware-in-the-loop (PE-HIL) 8 Wednesday >>Timetable Oral Session 3 Time Presenter Title 2:10-2:20 Sudarshan Srinivasan COVID-19 Fake Text Generation 2:20-2:30 Devon Drey Investigation of Disorder in Ho2T i2−x Zrx O7: Pyrochlore to Defec- tive Fluorite Chemical Series 2:30-2:40 Alex Chien Fast ion conduction induced by anion disorder in Li-deficient Argy- rodite 2:40-2:50 Daniel Kneller Room temperature X-ray crystallography of SARS-CoV-2 Main Protease unveils structural plasticity of the active site cavity and reactivity of the catalytic cysteine 2:50-3:00 Bo Jiang Modeling of local atomic structure in disordered and nanostructured materials 3:00-3:10 Peng Shuai Determination of Ground State Feedings in β-decay using Modular Total Absorption Spectrometer 3:10-3:20 Ashleigh Kimberlin Progress in n.c.a. Lu-177 Production at ORNL Oral Session 4 Time Presenter Title 3:20-3:30 Gemechis Degaga Deep Learning Generative Method for Engineering New Proteins 3:30-3:40 Nicholas Dove Ecological and genomic responses of soil and plant microbiomes to wildfire: linking fundamental community assembly processes to soil quality and plant health 3:40-3:50 Erin Creel Roll-to-Roll Slot-Die Coating of Concentrated Electrocatalyst Layer Inks for PEM Fuel Cells 3:50-4:00 Debasis Banik Mechanobiology of T cell receptors and chimeric antigen receptors: a head-to-head comparison study 4:00-4:10 Elizabeth Neumann Deciphering Host Immune Responses to Staphylococcus aureus Infection by Combining Imaging Mass Spectrometry and CODEX Multiplexed Immunofluorescence 4:10-4:20 Michelle Pitts Autoantibody responses to apolipoprotein A-I are not diet or sex- linked in C57BL/6 mice 9 Tuesday Oral Session 1 Advanced Fibers Enabled Better Batteries for Next-Generation Elec- tric Vehicles J. Zhu ORNL Due to the continuously increasing demand for world energy consumption, the general goal for rechargeable battery development is to increase the energy densities. Among various candidates, lithium-sulfur (Li-S) battery is a promising one in this regard not only because both sulfur and lithium have high theoretical capacities but sulfur is low cost and environmentally friendly. Moreover, lithium metal has a low negative potential. Nevertheless, the commercialization of Li-S batteries has been hindered by several issues, such as the insulating nature of sulfur and its intermediates, polysulfide shuttle effects, safety concerns of the lithium metal electrode, etc. Intensive efforts have been taken to solve these problems by developing novel sulfur host materials, solid-state electrolytes, advanced separators and interlayers, and binders, etc., during the past decade.