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Development of High-efficiency and Cost-effective Forged Ingot Niobium Technology for Science Frontiers and Accelerator Applications

Development of Forged Ingot Niobium Technology: Worlds science frontier programs and SRF accelerator applications demand high performance and cost-effective SRF accelerator technology [1-8]. Fine-grain (FG) and Large-grain (LG) ingot niobium technologies have been very well developed and implemented in all the present-day accelerator projects. However, forged ingot niobium technology which is the focus of this development proposal will be much more cost-effective and expected to have several technical advantages. FG niobium sheet production is very complex involving more than ten processing steps making them prone to contamination. As a result, they are very expensive to produce and require stringent QA procedure to be ready for SRF cavity production. The accelerating cavity process steps are also numerous and require strict procedures in order to achieve high accelerating gradients and quality factors needed for science frontier programs. LG niobium disc production, directly sliced from the ingot, is relatively simple and straight forward to keep surface cleanness. The disc production cost is significantly low compared to FG niobium sheet production. However, there are (some) draw backs due to non-homogeneity of the grain boundary distribution, resulting in non-uniform mechanical properties and complex cavity fabrication, although the LG cavities achieve the expected high-gradient performance goals with lower cost. Medium-grain (MG) niobium disk production may be realized with a new approach/process, the disc directly sliced from the forged ingot, involves a simpler process steps contributing major production cost reduction [9]. These discs are expected to be superior as they tend to be homogenous with uniform sub millimeter grains and mechanical properties. We are eagerly looking forward to developing the forged ingot niobium SRF accelerator technology for the benefit of the world-wide science frontier programs, green energy subcritical nuclear energy systems and a wide variety of industrial applications including the production of radio isotopes and nuclear transmutation applications. Measurement of thermal characteristics of the forged ingot niobium: Measurement of the thermal diffusivity, D, of superconducting MG niobium is important to be understood in comparison with FG sheet and LG disc, as well as that of advanced composite material of Nb3Sn film sputtered on forged ingot Nb, which will be determined using transient pump-probe thermo-modulation [10,11]. Transient thermo-modulation is based on using an ultrafast laser pulse to heat the superconducting materials by a few K, then a synchronized laser pulse probes the reflectance of the heated material. For thin films on a substrate (e.g, 100-nm Nb3Sn on Nb), it takes <100 ps for the heat to reach the substrate by diffusion. Therefore, an ultrafast method is needed to probe D of the studied material. D will be measured from room temperature to liquid helium temperatures. Fundamental Research: The increase of rf loss in SRF cavities is related to trapping of residual magnetic field during the cavity cool-down. The study suggested that the micro structure plays the role in flux trapping sensitivity. The research includes the flux trapping and expulsion study as forged ingot niobium goes through several mechanical deformations, crystallization leading to the optimal SRF cavity performance. Furthermore, the cavity made from FG, MG, and LG sheet/disc will be compared to understand the optimal re-crystallization temperature that cavity needed to be heat treated which minimize the flux trapping and increase SRF cavity performance. References: 1. S. Belomestnykh, Overview of recent SRF developments for ERLs, presented at the SRF 2015, Whistler, BC, Canada (2015). 2. A. Yamamoto, M. Yamanaka and G. Myneni, Ingot Nb based SRF Technology for the International Linear Collider, in Science and Technology of Ingot Niobium for Superconducting Radio Frequency Applications, AIP Conf. Proc. 1687, 030005-1 ? 03005-6, 2015 3. Report of the Workshop on Energy and Environmental Applications of Accelerators, DOE Workshop Report. https://science.osti.gov/-/media/hep/pdf/Reports/2020/CASM_WorkshopReport.pdf? la=en&hash=AEB0B318ED0436B1C5FF4EE0FDD6DEB84C2F15B2 4. G. Ciovati, et al., Design of a cw, low-energy, high-power superconducting linac for environmental applications, Phys. Rev. Accel. Beams 21, 091601 (2018). 5. P. Dhakal, et al., Effect of high temperature heat treatments on the quality factor of a large-grain superconducting radio-frequency niobium cavity, Phys. Rev. ST Accel. Beams 16, 042001 (2013). 6. P. Kneisel et al., Review of ingot niobium as a material for superconducting radio frequency accelerating cavities, Nuclear Instruments and Methods in Physics Research A 774, 133 (2015). 7. G. Ciovati, P. Dhakal, and G. R, Myneni, Superconducting radio-frequency cavities made from medium and low-purity niobium ingots, Supercond. Sci. Technol. 29, 064002 (2016). 8. M. Drury et al., commissioning of the prototype C75 cavities in a CEBAF cryomodule, in Proc. of IPAC 2018, Vancouver, BC, Canada (2018) 9. Feasibility of forged-ingot niobium disc and SRF cavity fabrication technology recently demonstrated in cooperation of ATI, BSCE, and KEK (2020). 10. Hani E. Elsayed-Ali, ?Measurements of heat transport in thin films by ultrafast laser-based techniques,? 3rd International Conference on Thermal Issues in Emerging Technologies Theory and Applications, Cairo, Egypt, pp. 347 ? 350 (2010). DOI: 10.1109/ThETA17616.2010 11. W. M. G. Ibrahim, H. E. Elsayed-Ali, M. Schinn, and C. A. Bonner, Jr., ?Ultrafast investigation of electron dynamics in multilayer metals,? Int. J. Heat and Mass Transfer, 47(10?11), 2261?2268 (2004).

Myneni, G.↗

Preliminary analysis of Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) for mineralogic mapping at sites in Nevada and Colorado

Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data for sites in Nevada and Colorado were evaluated to determine their utility for mineralogical mapping in support of geologic investigations. Equal energy normalization is commonly used with imaging spectrometer data to reduce albedo effects. Spectra, profiles, and stacked, color-coded spectra were extracted from the AVIRIS data using an interactive analysis program (QLook) and these derivative data were compared to Airborne Imaging Spectrometer (AIS) results, field and laboratory spectra, and geologic maps. A feature extraction algorithm was used to extract and characterize absorption features from AVIRIS and laboratory spectra, allowing direct comparison of the position and shape of absorption features. Both muscovite and carbonate spectra were identified in the Nevada AVIRIS data by comparison with laboratory and AIS spectra, and an image was made that showed the distribution of these minerals for the entire site. Additional, distinctive spectra were located for an unknown mineral. For the two Colorado sites, the signal-to-noise problem was significantly worse and attempts to extract meaningful spectra were unsuccessful. Problems with the Colorado AVIRIS data were accentuated by the IAR reflectance technique because of moderate vegetation cover. Improved signal-to-noise and alternative calibration procedures will be required to produce satisfactory reflectance spectra from these data. Although the AVIRIS data were useful for mapping strong mineral absorption features and producing mineral maps at the Nevada site, it is clear that significant improvements to the instrument performance are required before AVIRIS will be an operational instrument.

Kruse, Fred A.↗

NASA SNPP SIPS - Following in the Path of EOS

NASA's Earth Science Data Information System (ESDIS) Project has been operating NASA's Suomi National Polar-Orbiting Partnership (SNPP) Science Data Segment (SDS) since the launch in October 2011. At launch, the SDS focused primarily on the evaluation of Sensor Data Records (SDRs) and Environmental Data Records (EDRs) produced by the Joint Polar Satellite System (JPSS), a National Oceanic and Atmosphere Administration (NOAA) Program, as to their suitability for Earth system science. During the summer of 2014, NASA transitioned to the production of standard Earth Observing System (EOS)-like science products for all instruments aboard Suomi NPP. The five Science Investigator-led Processing Systems (SIPS): Land, Ocean, Atmosphere, Ozone, and Sounder were established to produce the NASA SNPP standard Level 1, Level 2, and global Level 3 products developed by the SNPP Science Teams and to provide the products to NASA's Distributed Active Archive Centers (DAACs) for archive and distribution to the user community. The processing, archiving and distribution of data from NASA's Clouds and the Earth's Radiant Energy System (CERES) and Ozone Mapper/Profiler Suite (OMPS) Limb instruments will continue. With the implementation of the JPSS Block 2 architecture and the launch of JPSS-1, the SDS will receive SNPP data in near real-time via the JPSS Stored Mission Data Hub (JSH), as well as JPSS-1 and future JPSS-2 data. The SNPP SIPS will ingest EOS compatible Level 0 data from the EOS Data Operations System (EDOS) element for their data processing, enabling the continuous EOS-SNPP-JPSS Satellite Data Record.

near real time↗

A scalable planning framework of energy storage systems under frequency dynamics constraints

As the penetration of renewables increases in power systems, the declining system inertia can cause frequency stability issues. Battery energy storage systems (BESSs) respond fast and therefore can relieve the low inertia difficulty but need to be appropriately sized considering the associated cost. This paper presents a novel stochastic optimization model for economically planning BESS capacity while considering the spatial–temporal correlation of wind generation and generator outages under frequency stability constraints, which include the rate-of-change of frequency (RoCoF), frequency nadir (FN), and quasi-steady-state (QSS) frequency. A set of new FN constraints that can be easily linearized is developed. To account for renewable uncertainties, a realistic uncertainty modeling approach, Random Field, is adopted to generate wind generation scenarios by considering both spatial and temporal evolutions of wind speed profiles. The ESS sizing is formulated as a mixed-integer linear programming problem and solved by using a scalable decomposition-and-coordination approach, Surrogate Absolute Value Lagrangian Relaxation (SAVLR). To further improve the scalability and reduce computational burdens, a rolling-horizon-based update is developed and incorporated into SAVLR for providing a practical solution to the long-term planning of very large-scale power systems. Finally, a modified IEEE 118-bus system and the Polish system are used to validate the effectiveness and scalability of the model and solution methodology.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Cybersecurity for System Operators

SERC's System Operator Conference is an annual education and sustainment training for electric power system operators across the southeastern United States. In recognition of the growing importance of cybersecurity for energy systems, a block of instruction on cybersecurity concepts was included for this year's conferences. This presentation provides an overview of the need for and general approach used in the DOE CESER-sponsored Cybersecurity for the Operational Technology Environment (CyOTE) program, tailored for electric power system operators. NERC's updated Cyber Intrusion Guide for System Operators is reviewed, explaining how it is an operationalization of some of CyOTE's principles and approach.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Washington Clean Energy Fund: Energy Storage System Consolidated Performance Test Results

This report provides an overview of test results for four energy storage systems funded under the Washington Clean Energy Fund deployed at three utilities in Washington State. Integration of energy storage into the U.S. grid has been gathering momentum across the industry, especially as penetration of power generated by renewable resources increases. Several states have storage procurement targets to deal with a variety of issues, such as afternoon total system load ramping requirements, frequency regulation/control, and integration power generated from by renewable resources. This report presents the performance test results for battery energy storage systems (BESS) funded by the Washington Clean Energy Fund (CEF) 1 Program ($\$$14.3 million in state funding supporting a total investment of $\$$43 million). For each project, the technical attributes of the BESS were tested, defined, and evaluated in detail. These projects were funded jointly by Avista, the Snohomish Public Utility District (SnoPUD), Puget Sound Energy (PSE), the Washington CEF, and the U.S. Department of Energy Office of Electricity Delivery and Energy Reliability (DOE-OE).

24 POWER TRANSMISSION AND DISTRIBUTION↗

2020 Annual Site Environmental Report for Sandia National Laboratories, Tonopah Test Range, Nevada, and Kaua'i Test Facility, Hawai'i

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration. The National Nuclear Security Administration’s Sandia Field Office administers the contract and oversees contractor operations at Sandia National Laboratories, Tonopah Test Range (SNL/TTR) in Nevada and Sandia National Laboratories, Kaua‘i Test Facility (SNL/KTF) in Hawai‘i. Activities at SNL/TTR are conducted in support of U.S. Department of Energy weapons programs and have operated at the site since 1957. SNL/KTF has operated as a rocket preparation launching and tracking facility since 1962. The U.S. Department of Energy and its management and operating contractor are committed to safeguarding the environment, assessing sustainability practices, and ensuring the validity and accuracy of the monitoring data presented in this Annual Site Environmental Report. This report summarizes the environmental protection, restoration, and monitoring programs in place at SNL/TTR and SNL/KTF during calendar year 2020. Environmental topics include air quality, ecology, environmental restoration, oil storage, site sustainability, terrestrial surveillance, waste management, water quality, and implementation of the National Environmental Policy Act. This report is prepared in accordance with and as required by DOE O 231.1B, Admin Change 1, Environment, Safety and Health Reporting , and has been approved for public distribution.

54 ENVIRONMENTAL SCIENCES↗

Los Alamos NEP research in advanced plasma thrusters

Research was initiated in advanced plasma thrusters that capitalizes on lab capabilities in plasma science and technology. The goal of the program was to examine the scaling issues of magnetoplasmadynamic (MPD) thruster performance in support of NASA's MPD thruster development program. The objective was to address multi-megawatt, large scale, quasi-steady state MPD thruster performance. Results to date include a new quasi-steady state operating regime which was obtained at space exploration initiative relevant power levels, that enables direct coaxial gun-MPD comparisons of thruster physics and performance. The radiative losses are neglible. Operation with an applied axial magnetic field shows the same operational stability and exhaust plume uniformity benefits seen in MPD thrusters. Observed gun impedance is in close agreement with the magnetic Bernoulli model predictions. Spatial and temporal measurements of magnetic field, electric field, plasma density, electron temperature, and ion/neutral energy distribution are underway. Model applications to advanced mission logistics are also underway.

Schoenberg, Kurt↗

Securing Future Energy Supplies: From Renewables to Microreactors

This session will provide insight into how future energy deployments, critical to national-level programs focused on reducing carbon emissions, can be secured-by-design using lessons learned from current energy infrastructure. It will begin with an overview of current threats and risks associated with renewable energy assets and systems, primarily wind and solar, focusing on their control architecture and key system functions for both efficient and safe operations. This talk will then translate the key takeaways from current renewable infrastructure into applications for securing future energy systems, including microreactors and small modular reactors (SMRs), based on planned concepts of operations and control. Microreactors and SMRs are intended to be factory-assembled with commercially available components and deployed in more remote or distributed environments, necessitating centralized control centers, remote monitoring, and offsite maintenance and technical support. All of these factors lead these assets to a security posture and controls more similar to today's renewable energy assets than today's nuclear reactors, which represents a significant shift in mindset for the nuclear industry. This talk will provide justification for this shift as well as a path forward to motivate securing these groundbreaking technologies from the outset of their design and deployment.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Global Distribution of EMIC Waves and Its Association to Subauroral Proton Precipitation During the 27 May 2017 Storm: Modeling and Multipoint Observations

Recent simulation studies using the RAM-SCB model showed that proton precipitation contributes significantly to the total energy flux deposited into the subauroral ionosphere thereby affecting the magnetosphere-ionosphere coupling. Here, in this study, we use the BATS-R-US + RAM-SCB model to understand the evolution of ElectroMagnetic Ion Cyclotron (EMIC) waves in the inner magnetosphere, their correspondence to the proton precipitation into the subauroral ionosphere, and to assess the performance of the model in reproducing the EMIC wave-particle interactions. During the 27 May 2017 storm, Arase and RBSP-A satellites observed typical signatures of EMIC waves in the inner magnetosphere. Within this interval, Defense Meteorological Satellite Program (DMSP) and National Oceanic and Atmospheric Administration (NOAA)/MetOp satellites observed significant proton precipitation in the dusk-midnight sector. Simulation results show that H- and He-band EMIC waves are excited within regions of strong temperature anisotropy near the plasmapause. The simulated growth rates of EMIC waves show a similar trend to that of the EMIC wave power observed by the Arase and RBSP-A satellites, suggesting that the model can reproduce the EMIC wave activity qualitatively. The simulated H-band waves in the dusk sector are stronger than He-band waves possibly due to the presence of excess protons in the boundary conditions obtained from the BATS-R-US code. The precipitating proton fluxes reproduced by the simulation with EMIC waves are found to agree reasonably well with the DMSP and NOAA/MetOp satellite observations. It is suggested that EMIC wave scattering of ring current ions can account for proton precipitation observed by the DMSP and MetOp satellites during the 27 May 2017 storm.

79 ASTRONOMY AND ASTROPHYSICS↗

Development and Testing of the Glenn Research Center Visitor's Center Grid-Tied Photovoltaic Power System

The NASA Glenn Research Center (GRC) has developed, installed, and tested a 12 kW DC grid-tied photovoltaic (PV) power system at the GRC Visitor s Center. This system utilizes a unique ballast type roof mount for installing the photovoltaic panels on the roof of the Visitor s Center with no alterations or penetrations to the roof. The PV system has generated in excess of 15000 kWh since operation commenced in August 2008. The PV system is providing power to the GRC grid for use by all. Operation of the GRC Visitor s Center PV system has been completely trouble free. A grid-tied PV power system is connected directly to the utility distribution grid. Facility power can be obtained from the utility system as normal. The PV system is synchronized with the utility system to provide power for the facility, and excess power is provided to the utility. The project transfers space technology to terrestrial use via nontraditional partners. GRC personnel glean valuable experience with PV power systems that are directly applicable to various space power systems, and provides valuable space program test data. PV power systems help to reduce harmful emissions and reduce the Nation s dependence on fossil fuels. Power generated by the PV system reduces the GRC utility demand, and the surplus power aids the community. Present global energy concerns reinforce the need for the development of alternative energy systems. Modern PV panels are readily available, reliable, efficient, and economical with a life expectancy of at least 25 years. Modern electronics has been the enabling technology behind grid-tied power systems, making them safe, reliable, efficient, and economical with a life expectancy of at least 25 years. Based upon the success of the GRC Visitor s Center PV system, additional PV power system expansion at GRC is under consideration. The GRC Visitor s Center grid-tied PV power system was successfully designed and developed which served to validate the basic principles described, and the theoretical work that was performed. The report concludes that grid-tied photovoltaic power systems are reliable, maintenance free, long life power systems, and are of significant value to NASA and the community.

Eichenberg, Dennis J.↗

Development and Testing of a Prototype Grid-Tied Photovoltaic Power System

The NASA Glenn Research Center (GRC) has developed and tested a prototype 2 kW DC grid-tied photovoltaic (PV) power system at the Center. The PV system has generated in excess of 6700 kWh since operation commenced in July 2006. The PV system is providing power to the GRC grid for use by all. Operation of the prototype PV system has been completely trouble free. A grid-tied PV power system is connected directly to the utility distribution grid. Facility power can be obtained from the utility system as normal. The PV system is synchronized with the utility system to provide power for the facility, and excess power is provided to the utility. The project transfers space technology to terrestrial use via nontraditional partners. GRC personnel glean valuable experience with PV power systems that are directly applicable to various space power systems, and provide valuable space program test data. PV power systems help to reduce harmful emissions and reduce the Nation s dependence on fossil fuels. Power generated by the PV system reduces the GRC utility demand, and the surplus power aids the community. Present global energy concerns reinforce the need for the development of alternative energy systems. Modern PV panels are readily available, reliable, efficient, and economical with a life expectancy of at least 25 years. Modern electronics has been the enabling technology behind grid-tied power systems, making them safe, reliable, efficient, and economical with a life expectancy of at least 25 years. Based upon the success of the prototype PV system, additional PV power system expansion at GRC is under consideration. The prototype grid-tied PV power system was successfully designed and developed which served to validate the basic principles described, and the theoretical work that was performed. The report concludes that grid-tied photovoltaic power systems are reliable, maintenance free, long life power systems, and are of significant value to NASA and the community.

Eichenberg, Dennis J.↗

Impact of sub-core scale heterogeneity on CO2/brine multiphase flow for geological carbon storage in the Minnelusa sandstone

CO2 geological storage in deep saline aquifers is a mitigation option for CO2 emissions due to its large storage capacity and immediate accessibility. Accurately determining the CO2-brine relative permeability curves is key to the evaluation of CO2 injectivity and sweep efficiency in reservoir simulation as well as the CO2 injection in the field. This study highlights the remarkable effects of sub-core scale heterogeneity on the CO2-brine multiphase flow properties of the Minnelusa Sandstone in Wyoming. Two unsteady state CO2-brine drainage experiments were performed on the two samples. The first sample exhibits slanted laminated structure, while the second one represents a more homogeneous sandstone system. The CO2 saturation distributions during drainage reveals that the main variation in multiphase flow properties of two core samples were attributed to the porosity distribution that leads to the capillary pressure heterogeneity. Assisted history matching was used to obtain the respective relative permeability curves, which suggests heterogeneity-dependent behavior. In addition, sensitive and uncertainty analyses indicate that physical and petro-physical properties of low-porosity and low-permeability bedding layers exert marked effects on CO2 front breakthrough time and brine production. The results presented in this study help to gain insight into the CO2-brine multiphase flow properties in heterogeneous sandstones and can pave the way for the upscaling of CO2 migration and field-scale simulation accurately. This work is funded under the Department of Energy CarbonSAFE program (awards DE-FE0031624 DE0031891).

Kou, Zuhao↗

Measurements of Neutron Scattering from a Copper Sample Using a Quasi-Differential Method in the Region from 2 keV to 20 MeV

Neutron scattering from a copper sample was measured at Rensselaer Polytechnic Institute utilizing the quasi-differential method. The measurement spanned the energy range from 0.5 to 20 MeV using the high-energy scattering system and from 2 keV to 0.5 MeV using the new mid-energy scattering system. Copper was selected as a material of interest to measure due to large discrepancies between experiments and simulations of the Zeus benchmark. The Zeus benchmark consists of a copper reflected highly enriched uranium system, and the angular distribution of copper scattering was thought to potentially be the cause of the discrepancy. The copper measurements found differences in the scattering response particularly in the incident energy region from 1 to 2 MeV for the high-energy measurement and from 2 to 4 keV in the mid-energy system. These differences are particularly noticeable at angles near 90 deg in the high-energy system and back angles in the mid-energy system. Additionally, for ENDF/B-VIII.0 there is a large discrepancy at the forward angle in the energy range around 0.5 MeV. For these reasons, a new evaluation of copper scattering utilizing these results is recommended and perhaps could help to improve the agreement with the Zeus benchmarks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ESPC ESA Training Series: Site-Specific/Stand-Alone Contract Vehicle

This webinar provides instructions and resources for financing distributed energy projects (e.g., on–site renewable energy, storage, and combined heat and power) using an energy savings performance contract (ESPC) energy sales agreement (ESA) through the site–specific/stand–alone contract vehicle. The site–specific/stand–alone contract vehicle is a procurement process using a request for proposal (RFP). Topics covered during the webinar include forming a strong project team, validating the feasibility of the distributed energy project at a site, acquisition planning, RFP development, procurement, proposal evaluation and contract award, and the construction and performance period. This webinar also provides an overview of the resources available in the ESPC ESA Toolkit, such as checklists and templates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advanced Anode for Internal Reforming and Thermal Management in Solid Oxide Fuel Cells

Solid oxide fuel cell (SOFC) is an efficient and clean electrical power generation system compared to conventional combustion based technologies with energy efficiency reaching as high as 85-90% in co-generation mode (electricity and heat). Other advantages of SOFCs are hybridization, modularity of construction, small CO 2 foot print per kWh of generated electricity and fuel flexibility. Hydrocarbons present in the gaseous fuel is utilized in SOFCs by internal or external reforming. There are two different internal reforming concepts: Direct Internal Reforming (DIR) and Indirect Internal Reforming (IIR). For DIR operation, the endothermic reforming reaction and the exothermic reaction from the oxidation reaction are operated together in the single unit eliminating the requirement for a separate fuel reformer. This configuration also simplifies the overall system design, making SOFC more attractive and efficient means of producing electrical power. The main advantage of the DIR type of operation is that the H 2 or CO consumption by the electrochemical reaction could directly promote the conversion of methane at the anode side of the fuel cell resulting in high conversion and high efficiency. The DIR operation, however, requires an anode material that has desired dual catalytic (hetero and electro) properties for reforming reaction and electrochemical reactions. The anode materials also need to remain resistant to carbon formation at the operating temperature and atmosphere with stable cell performance. Another requirement is to match the reforming reactions and electrochemical reactions to avoid local cooling or overheating, which can result in mechanical failure due to thermally induced stresses. Direct internal reforming (DIR) of hydrocarbon fuels simplifies the overall SOFC system design making it more attractive and efficient for producing electrical power. Low cost alloy anodes for distributed internal reforming of methane and other hydrocarbon fuels offer increased fuel-flexibility, reliability, and long term performance stability of solid oxide fuel cells (SOFC). The research program examined modification of the chemical compositions and microstructure of high entropy alloy (HEA) anode materials using thermochemical calculations and process simulation and modeling to achieve distributed reforming over the entire anode to eliminate hot zones. Cell fabrication and testing of the HEA anodes using button cell configuration has been performed to demonstrate the advantages of new anode over traditional Ni-YSZ anodes for distributed reforming and carbon free operation. Technical accomplishments include identification and synthesis of HEA carbon-resistant anode, demonstration of reduction in reforming rate confirmed by GC and modelling data validating effectiveness for thermal management in cell/stacks, electrochemical testing of HEA anode in single cell (HEA-GDC||YSZ||LSM-YSZ) and Characterization of pretest and posttest anode materials by TEM and SEM-EDS confirming carbon-free operation.

30 DIRECT ENERGY CONVERSION↗

Structure-Based Discovery and Development of Highly Potent Dihydroorotate Dehydrogenase Inhibitors for Malaria Chemoprevention

Malaria remains a serious global health challenge, yet treatment and control programs are threatened by drug resistance. Dihydroorotate dehydrogenase (DHODH) was clinically validated as a target for treatment and prevention of malaria through human studies with DSM265, but currently no drugs against this target are in clinical use. We used structure-based computational tools including free energy perturbation (FEP+) to discover highly ligand efficient, potent, and selective pyrazolebased Plasmodium DHODH inhibitors through a scaffold hop from a pyrrole-based series. Optimized pyrazole-based compounds were identified with low nM-to-pM Plasmodium falciparum cell potency and oral activity in a humanized SCID mouse malaria infection model. The lead compound DSM1465 is more potent and has improved absorption, distribution, metabolism and excretion/pharmacokinetic (ADME/PK) properties compared to DSM265 that support the potential for once-monthly chemoprevention at a low dose. This compound meets the objective of identifying compounds with potential to be used for monthly chemoprevention in Africa to support malaria elimination efforts.

60 APPLIED LIFE SCIENCES↗

Simulation of CEFR neutronic start-up tests with FENNECS

This paper presents simulation results of selected Neutronic Start-up Tests of the China Experimental Fast Reactor (CEFR) obtained by the neutronics code FENNECS that have been performed within the frame of the IAEA Coordinated Research Program I31032. The Finite Element Neutronics code FENNECS is developed at GRS and solves the few-group steady-state and transient diffusion equation using a Galerkin-based finite element approach. Its main purpose is the safety assessment of Small Modular Reactors and Micro Reactors with complex geometry (e.g., rotating control drums) which gain increased interest internationally. Serpent has been applied to create reference models of the CEFR and cross-section libraries in 10 energy groups for FENNECS. Using these libraries, the following experiments have been simulated with FENNECS: net criticality, control rod integral and differential worth, void reactivity effect, subassembly exchange reactivity effects and reaction rate distribution. The obtained satisfactory agreements with the measurements represent a valuable contribution to the validation of FENNECS. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗