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At least 145 records · Page 8

Support for the Second MOSAiC Science Conference support (Final Report)

This is a final report for a conference support project. The US Department of Energy’s Atmospheric System Research Program provided funding support for the Second MOSAiC Science Conference. MOSAiC is the Multidisciplinary drifting Observatory for the Study of Arctic Climate, a yearlong, international expedition into the rapidly changing Arctic sea ice. The expedition collected measurements of the atmosphere, sea ice, and ocean to study coupled physical, chemical, and biological processes. The Second MOSAiC Science Conference provided an important opportunity to bring the MOSAiC-interested community together to discuss MOSAiC data, scientific analyses, synthesis, modeling activities, and more. Overall, the conference was a significant success and has motivated and facilitated a great deal of ongoing research. The support provide by this project was used along with support from other agencies to implement a participant support program that enabled participation in the conference by a diverse collection of researchers from many different countries and disciplines, 60% of whom were female. Most of these participants were Early Career Researchers. Participation by these researchers was vital to the overall success of the conference and has helped to build leadership and research skills for the participants that will serve both themselves and the broader scientific community in the future.

54 ENVIRONMENTAL SCIENCES↗

New Methods to Produce and Extend the Spectral Range of Photocathodes for Large Area Photodetectors with mm scale Space Resolution (Final Report)

Cornell group has developed recipes to grow photocathodes belonging to the alkali antimonide family using evaporation from elemental sources with and without line of sight between the sources and the glass substrate. Photocathodes were characterized in terms of their quantum efficiency in the spectral range covering the visible and the near infrared part of the spectrum. Two different approaches have been used to demonstrate the growth of high quantum efficiency photocathodes: the first approach makes use of elemental antimony and alkali metals loaded into ceramic crucibles hosted into effusion cells like the one used in molecular beam epitaxy reactors; whereas in the second approach the antimony film is evaporated onto the transparent substrate using effusion cells and then transferred into a different reaction chamber where exposure to the alkali metals coming from an elemental source lacking the line of sight to the substrate is used to produce the photocathode material. The research conducted opens the exploration of alternative methods for the synthesis of photocathodes specifically designed to be implemented over large areas maximizing the production throughput and lowering the cost. It particular, this research can benefit future HEP programs by providing new methods that can be adopted to produce photon detectors for future experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Techno-Economic Analysis of Natural Gas Fuel Cell Plant Configurations

The United States (U.S.) Department of Energy (DOE) Office of Fossil Energy and Carbon Management (FECM) and the National Energy Technology Laboratory (NETL) have been pursuing the development of solid oxide fuel cell (SOFC) technology to enable future power generation systems that are consistent with the cornerstones of the DOE mission—to ensure America’s security and prosperity by addressing its energy and environmental challenges through transformative science and technology solutions. The U.S. DOE FECM SOFC Program is currently focused on the development of low-cost, highly efficient, and reliable SOFC power systems. NETL’s SOFC technology development roadmap is aligned with near-term market opportunities in the distributed generation sector to validate and advance the technology while paving the way for utility-scale (> 50 MW) natural gas and coal-derived synthesis gas-fueled applications via progressively larger system demonstrations. The present study represents a part of a series of system evaluations being developed at NETL to aid in prioritizing technological advances along research pathways to the realization of utility-scale SOFC systems, a transformational goal of the fuel cell program. In particular, the system performance of utility-scale natural gas fuel cell (NGFC) systems with and without carbon dioxide (CO 2 ) capture is presented. The objective of the study is to provide targeted research and development (R&D) guidance to the FECM SOFC Program and SOFC commercial developers to accelerate technology deployment.

03 NATURAL GAS↗

Wide Band Gap Chalcopyrite Photoelectrodes for Direct Water Splitting (Final Technical Report)

The chalcopyrite material class, typically identified by its most popular alloy CuInGaSe 2 , provides exceptionally good candidates for photoelectrochemical (PEC) water splitting and has the potential to meet DoE EERE’s targets in terms of hydrogen production costs (less than $2/gge). Some key advantages of this class include remarkable photon-to-electron conversion efficiency and a high Faradaic efficiency for the hydrogen evolution reaction, two characteristics essential for efficient PEC water splitting. However, the band gaps of commonly used chalcopyrites in the photovoltaic field (1.0-1.6 eV) are too narrow to be compatible with the multi-junction approach for efficient PEC hydrogen production, in which a stack of solar absorbers generates the bias required for water splitting. Nonetheless, previous studies performed by our team demonstrated that chalcopyrites’ narrow band gaps could be effectively widened using simple conversion steps, leading to functional chalcopyrite-based PEC electrodes with optical band gap in the 1.8-2.4 eV range, making this class highly suitable for renewable hydrogen production via water splitting. This multi-disciplinary research program lead by the University of Hawai’i/Hawai’i Natural Energy Institute combined unique analytical techniques (UNLV), state-of-the-art theoretical modeling (LLNL) with advanced thin film materials synthesis (HNEI, NREL and Stanford) to provide deeper understanding of wide band gap chalcopyrite-based PEC materials and engineer high performance/corrosion-resistant photocathodes with tunable energetics and compatible with the multi-junction approach. The goals of this project were to demonstrate photoelectrochemical (PEC) solar-hydrogen production using a dual absorber system with a solar-to-hydrogen conversion efficiency of at least 15% with an operational life up to 2,000 hours and capable of generating at least 3 liters of hydrogen in 8 hours. After a brief introduction (Section 1) and description of our work plan (Section 2), we present in Section 3 our results on the development of new wide bandgap copper chalcopyrites absorbers for PEC waters splitting. We first show through modeling how alloying can be used to tailor the optical properties and/or surface energetics of various material candidates. We also present how specific defects (e.g., GaCu) can lead to recombination centers within the forbidden gap of copper-poor chalcopyrites. Then, we present our efforts to synthesize high efficiency wide band gap CuGa 3 Se 5 , CuGa(S,Se) 2 and Cu(In,Ga)S 2 photocathodes capable of generating photocurrent density over 10 mA/cm 2 . We also demonstrate that Cu-rich absorbers should be avoided as they lead to poor sub-band gap optical transmission. In Section 4, we first report on our efforts to tune the energetics of chalcopyrites toward the hydrogen evolution reaction. First, we quantified the energetics of wide band gap chalcopyrites interfaced with conventional CdS buffer layer, as measured with X-ray photoelectron spectroscopy techniques, and evidence the presence of a large (and undesirable) conduction band offset at this interface. Then, we highlight some of the work performed with alternative buffer layers, including In 2 S 3 . Durability improvements with various ultra-thin protective layers are presented in Section 5. Our data show that TiO 2 combined with MoS 2 can significantly improve chalcopyrites lifetime up to 350 hours under continuous operation at 8 mA/cm 2 . Finally, in Section 6 we report strategies to integrate chalcopyrite photocathodes into standalone tandem PEC devices. Although promising methods were proposed for both mechanical and monolithic stacking with narrow band gap PV drivers, no functional device was fabricated on time to fulfill the program end goals.

08 HYDROGEN↗

Towards Automated Generation of Chiplet-Based Systems

The Software Defined Architectures (SODA) Synthesizer is an open-source compiler-based tool able to automatically generate domain-specialized systems targeting Application- Specific Integrated Circuits (ASICs) or Field Programmable Gate Arrays (FPGAs) starting from high-level programming. SODA is composed of a high-level frontend, SODA-OPT, which leverages the multilevel intermediate representation (MLIR) framework to interface with productive programming tools (e.g., machine learning frameworks), identify kernels suitable for acceleration, and perform high-level optimizations, and of a state-of-the-art high-level synthesis backend, Bambu from the PandA framework, to generate custom accelerators. One specific application of the SODA Synthesizer is the generation of accelerators to enable ultra-low latency inference and control on autonomous systems for scientific discovery (e.g., electron microscopes, sensors in particle accelerators, etc.). This talk will discuss ongoing work on the SODA synthesizer to enable no-human-in-the-loop generation and design space exploration of the chiplets for highly specialized artificial intelligence accelerators. Connecting these highly specialized chiplets to general-purpose cores or programmable accelerators will allow to quickly deploy autonomous systems for scientific discovery.

Limaye, Ankur M.↗

Air-Stable Calcium Cyanamide-Supported Ruthenium Catalyst for Ammonia Synthesis and Decomposition

Efficient ammonia synthesis and decomposition processes under mild conditions are important to meet the expanding demand in major applications of ammonia as the energy carrier and to provide feedstock for chemical industry. In this study, we report that air-stable calcium cyanamide-supported ruthenium (Ru/CaCN 2 ) works as an efficient and stable catalyst for ammonia synthesis and decomposition. Ru/CaCN 2 exhibits greater catalytic performances for both reactions than Ru/Ca 2 N electride and Ru–Cs/MgO. The kinetic analysis for ammonia synthesis suggests that Ru/CaCN 2 exhibits low apparent activation energy and high resistance to hydrogen poisoning, which has characteristics similar to the kinetic parameters of Ru-supported electride catalyst. H 2 -temperature programmed reaction and temperature programmed desorption revealed that Ru promoted the formation of CN 2 vacancies on the CaCN 2 surface which in turn capture hydrogen as H – ions during the reaction. Density functional theory calculations provide insights into how the formation of CN 2 vacancies is promoted by Ru, which leads to the decrease in the work function of the CaCN 2 surface and the hydrogen capture at the Ru-support interface. These results suggest that the high catalytic performance of Ru/CaCN 2 can be attributed to the formation of a quasi-electride structure at the Ru–CaCN 2 interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nuclear waste reduction: Exploring new pathways one step at a time

In my home country of Venezuela, nuclear energy is not a topic that attracts much attention. The government briefly oversaw some nuclear energy programs during the 1950s, but currently there are no active nuclear power facilities in the country. In fact, the Venezuelan government signed and ratified the treaty of the prohibition of nuclear weapons in 2021, which states that Venezuela has never owned, possessed or controlled nuclear weapons or programs of any kind. When I moved to the United States, however, nuclear energy became an extremely relevant topic. In the 1940s, the U.S. government established and oversaw the Manhattan Project to build atomic bombs for use in World War II. After the war, the government encouraged scientists to use this information on nuclear reactions to develop nuclear energy for peaceful civilian purposes instead.1 During these early days of nuclear research, there were no formal regulatory standards for nuclear waste management. Policies usually were self-regulated and often created based on existing policies of disposal for non-nuclear waste.2 As a result, there were instances of nuclear waste leaching into the environment and affecting local communities. So, much research has been conducted since then to characterize and store nuclear waste safely and securely.3 I first became interested in nuclear energy during my undergraduate studies when I worked on a project involving ligand synthesis to help extract actinides from nuclear waste. I then studied electrochemistry in molten salt systems for nuclear energy applications during my Ph.D. As I approached graduation, I started looking into national laboratories that have programs involving nuclear energy and waste management. At Idaho National Laboratory (INL), the focus is more on applied processes and how nuclear energy can be innovated to realize next-generation reactor design and technologies. This focus led me to apply for a Seaborg distinguished postdoctoral position at INL, for which I was chosen based on my proposal of a way to improve nuclear waste recycling. To understand my proposal, we must familiarize ourselves with the makeup of nuclear waste. After uranium dioxide is used as nuclear fuel in a reactor, the fuel matrix is then characterized by various fission products, including rare earth elements, alkali and alkaline earths, and actinides. Some of these fission products can potentially be recovered through pyroprocessing, 4 which involves the electrochemical dissolution of the used nuclear fuel in a molten chloride salt mixture at high temperatures. Though some of the fission products can be easily recovered—for example, uranium is reduced onto an inert cathode by applied potentials—numerous other fission products such as rare earth elements are difficult to recover due to their multivalent oxidation states and side reactions.5 To improve the recovery efficiency of rare earth elements specifically, I proposed investigating the fundamental interactions between rare earth elements in the molten chloride salt and their metallic form (Figure 1). The kinetic pathways and the chemical reactions of these elements, which will be elucidated through spectro-electrochemistry at high temperatures, will give insights on how the recovery efficiency can be improved. Although my research focuses on fundamental science, it will benefit the applied process by generating new scientific knowledge and closing the gap for efficient recycling of the waste: one step at a time.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Techno-economic analysis and network design for CO 2 conversion to jet fuels in the United States

The conversion of carbon dioxide (CO 2 ) into jet fuel holds significant potential for reducing CO 2 emissions, providing an alternative to carbon-based resources, and offering a renewable means of energy storage. The objective of this study is to conduct a techno-economic analysis and optimize the supply chain network for converting CO 2 to jet fuel in the United States, aiming to minimize total costs while assessing the environmental and economic feasibility of two CO 2 conversion pathways. This first pathway is based on Fischer-Tropsch synthesis (FTS), and the other one is based on the valorization and upgrading of light methanol (MeOH). Incorporating spatial and techno-economic data, a mixed-integer linear programming model was developed to select source plants and conversion pathways, locations of conversion refinery sites, and the amount of captured CO 2 across the United States. The optimal results indicate that the FTS pathway is adopted at all selected refineries when the hydrogen price is 1000 dollars/t and the operating cost, mainly electricity used in conversion, is reduced to 5 % of its current level. Under this scenario, the total annual profit is 8 billion dollars, and the net carbon emissions are -88,783,284 tons. The sensitivity analyses reveal that the prices of electricity and hydrogen significantly contribute to total production costs. The CO 2 recycle percentage of the FTS pathway influences the choice of applied pathways at refineries. Additionally, a higher conversion rate holds a substantial promise for reducing the total production cost and can make the MeOH pathway a viable choice.

10 SYNTHETIC FUELS↗

Physical Sciences Vistas (Issue 3 2020)

In this issue, highlights of our outstanding R&D supporting the Laboratory’s nuclear security mission include the following. 1. The essential nuclear materials science contributions of MST’s Materials Properties Team to a range of Lab missions, operations, and initiatives. 2. Work in the Sigma Complex supporting NNSA’s Advanced Manufacturing Development milestones by members of Sigma Division and colleagues across the Laboratory and other NNSA sites. 3. Greg Dale’s role in the Lab’s molybdenum program and today as a technical lead on the Scorpius project. 4. Measurements that reveal the role thermal interfaces play in dynamic compression experiments. 5. The first-ever synthesis of an actinide framework, which offers opportunities for understanding these structures as potential radioactive waste forms and provides new models of actinide species transport in the environment. This issue also showcases, as part of our commitment to simultaneous excellence in mission operations and community relations, the successful high-hazard repair of the LANSCE accelerator, which resulted in a large team Laboratory Distinguished Performance Award, and a virtual Summer Physics Camp for Young Women that brought together participants from around the world, even as COVID kept them socially distant in their homes.

36 MATERIALS SCIENCE↗

Synthesis of Tunable SnS-TaS 2 Nanoscale Superlattices

Nanoscale superlattices represent a compelling platform for designed materials as the specific identity and spatial arrangement of constituent layers can lead to tunable properties. A number of kinetically stabilized, nonepitaxial superlattices with almost limitless structural tunability have been reported in telluride and selenide chemistries but have not yet been extended to sulfides. Here, we present SnS-TaS 2 nanoscale superlattices with tunable layer architecture. Layered amorphous precursors are prepared as thin films programmed to mimic the targeted superlattice; subsequent low temperature annealing activates self-assembly into crystalline nanocomposites. We investigate structure and composition of superlattices comprised of monolayers of TaS 2 and 3–7 monolayers of SnS per repeating unit. Furthermore, a graded precursor preparation approach is introduced, allowing stabilization of superlattices with multiple stacking sequences in a single preparation. Controlled synthesis of the architecture of nanoscale superlattices is a critical path toward tuning their exotic properties and enabling integration with electronic, optical, or quantum devices.

36 MATERIALS SCIENCE↗

Development of a Thermal Spray, Redox Stable, Ceramic Anode for Metal Supported SOFC

In this program, GE global research and GE fuel cells in Malta conducted thermal spray optimization experiments, initially focusing on a well-established ceramic anode formulation, lanthanum strontium titanate combined with gadolinium doped ceria. Powder engineering work was conducted both internally and with vendors to develop repeatable, stable, and flowable thermal spray feedstocks. Agglomerate sintering was conducted in the last phase of the project, building on earlier program work, and was used to increase run stability during the longer scaled up runs for the 410 cm 2 cells. Further powder engineering would be needed to fully design a powder ready for full scale manufacturing. During preliminary work on the LST-GDC electrodes, GE demonstrated 100 cm 2 stacks enduring multiple redox cycles with limited impact. Another key finding on the project was the identification of process conditions for two component ceramic anode thermal spray without the formation of phase impurities which were present in all early work on the program. GE global research and West Virginia University screened a large number of ceramic anode formulations, focused on identifying materials with ideal materials properties for use in SOFC anodes. In addition, synthetic scaling research was conducted to increase powder synthesis batch size several orders of magnitude during the course of project work. West Virginia University was able to show button cells using two component ceramic anodes which produced > 890 mW/cm 2 and even a single component SOFC button demonstrating > 1 W/cm 2 performance. These button cell tests show the great potential of these redox stable materials. Down-selected ceramic anode formulations were combined with the optimized thermal spray process methods to first demonstrate multiple groups of 100 cm 2 SOFC stacks able to achieve the power density goals for the project. GE research also quickly investigated the performance of a subset of these formulations on long term degradation tests and assessed their performance on simulated natural gas reformate. In the final phase of the program, scaling activities were employed to translate from the 100cm2 process up to 410 cm 2 . Two large format 10-cell stack tests were completed, and one of these stacks produced 0.987 kW which is one of the highest power demonstrations of ceramic anode, metal support, SOFC technology known to GE. These ceramic anode stacks had been produced with all other materials in the stack held constant, demonstrating the flexibility of the thermal spray process in scaling to very large electrode size.

30 DIRECT ENERGY CONVERSION↗

New method of automated statistical analysis of polymer-stabilized metal nanoparticles in electron microscopy images

The efficiency of the synthesis and application of metal/nonmetal particles several nanometers in size, prepared in solutions and stabilized with polymers, can be increased by applying a reliable statistical analysis and determining particle-size distributions for different systems. A new method for processing electron microscopy images of nanoparticles ≤10 nm in size and the program Analyzer of Nanoparticles designed for rapid recognition and measurements are presented. The program combines two approaches: threshold image processing for particle recognition and fitting the model of the particles with neighborhood background to the real experimental images.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Be 2 C synthesis, properties, and ion-beam irradiation damage characterization

This technical report is in submission of completion of the Level 2 milestone number M2AT 23OR1101022, titled “Be 2 C synthesis, properties, and ion-beam irradiation damage characterization,” for the AT-23OR110102 “Beryllium Carbide as moderator for MSRs—ORNL” WBS number 2.04.11.01 within the larger Advanced Reactor Technologies program at Oak Ridge National Laboratory. This effort is an initial study of the viability of Be 2 C as a future neutron moderator for molten salt reactors and other high-temperature reactors. The research was awarded funding in September 2022, and this Level 2 milestone presents the work that completed by the end of July 2023. This work is a collaboration between Oak Ridge National Laboratory and the University of Michigan. This report discusses the status of this effort and planned work before the final reporting.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

PS3: The Pheno-Synthesis software suite for integration and analysis of multi-scale, multi-platform phenological data

Phenology is the study of recurring plant and animal life-cycle stages which can be observed across spatial and temporal scales that span orders of magnitude (e.g., organisms to landscapes). The variety of scales at which phenological processes operate is reflected in the range of methods for collecting phenologically relevant data, and the programs focused on these collections. Consideration of the scale at which phenological observations are made, and the platform used for observation, is critical for the interpretation of phenological data and the application of these data to both research questions and land management objectives. However, there is currently little capacity to facilitate access, integration and analysis of cross-scale, multi-platform phenological data. This paper reports on a new suite of software and analysis tools – the “Pheno-Synthesis Software Suite,” or PS3 – to facilitate integration and analysis of phenological and ancillary data, enabling investigation and interpretation of phenological processes at scales ranging from organisms to landscapes and from days to decades. We use PS3 to investigate phenological processes in a semi-aride, mixed shrub-grass ecosystem, and find that the apparent importance of seasonal precipitation to vegetation activity (i.e., “greenness”) is affected by the scale and platform of observation. We end by describing potential applications of PS3 to phenological modeling and forecasting, understanding patterns and drivers of phenological activity in real-world ecosystems, and supporting agricultural and natural resource management and decision-making.

54 ENVIRONMENTAL SCIENCES↗

High Energy Density Physics of Inertial Confinement Fusion Ablator Materials

The historic December 5, 2022 experiment at Lawrence Livermore National Lab’s (LLNL) National Ignition Facility (NIF) reached fusion energy ignition for the first time. This is the most important scientific breakthrough of the 21st century paves the way to future clean inertial fusion energy (IFE). The diamond (high density carbon (HDC)) ablator material used in this experiment displays detrimental effects due to the development of hydrodynamic instabilities at the diamond/fuel interface under shock compression. New alternatives to diamond ablators are required to step up the energy yield in ICF experiments. The unique combination of mechanical strength (approaching that of diamond), the ability to accommodate high-Z dopants (in contrast to diamond), and the tunability of the properties (through synthesis material with varying sp 3 content) make amorphous carbon (a-C) a promising material for next-generation IFE ablative capsules. However, despite its critical importance to the IFE program, the behavior of a-C carbon at extreme temperatures and pressures remains largely unexplored. The primary goals of this project were to perform groundbreaking dynamic compression experiments and predictive simulations to uncover the fundamental high-energy-density physics of amorphous carbon. Our goals were (1) to uncover the metastability range of amorphous carbon and probe phase transitions to diamond or metastable supercooled liquid carbon; (2) to acquire high-quality equation of state (EOS) data and develop an experimentally validated EOS from machine-learning MD simulations of the complex states of carbon; and (3) to uncover the complex behavior of carbon liquid in both thermodynamically stable and metastable supercooled states by accessing large areas of carbon phase diagram with amorphous samples with variable sp 3 content. Our proposed experimental program included measurements of equation of state and diffraction measurements using the Omega EP laser at the Laboratory of Laser Energetics at the University of Rochester. The theoretical/simulation program involved the development of machine-learning models of the complex response of amorphous carbon under dynamic compression by performing molecular dynamics simulations at experimental time and length scales using leadership class DOE supercomputers. Simulations guided experiments to observe predicted phenomena and acquire critical experimental data in specific pressure-temperature domains to validate theoretical models. This research delivered fundamental properties of novel amorphous carbon IFE ablator material, including phase diagram and EOS. These results will aid in IFE target design and implosion experiments. A unique combination of predictive simulations and dynamic and static experiments provided a highly inspirational intellectual environment for graduate students and postdocs involved in this project.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Unordinary Ferromagnetic Phase Transitions in Mn- and Fe-doped Half-Heusler CoTiSb

Unordinary ferromagnetic character and high Curie temperature around 900 K have been detected for CoTi {sub 1−x}M{sub x}Sb (M = Mn and Fe, x = 0.1) multiphases systems. The synthesis process was carried out at high temperature in evacuated quartz tubes. The x-ray powder diffraction analysis through Rietveld method was applied to refine the crystal structure. By manipulating the search match program, three nanocrystalline phases of CoTiSb (64.5%), CoSb (15.5%), and TiSb{sub 2} (20.5%) for Mn-doped system and CoTiSb (33%), Ti{sub 3}Sb (35.3%), and CoTi{sub 2} (30.7%) for Fe-doped system were recognized. The term “phase” was used to address the coexistence of different stable chemical compositions for the same half-Heusler alloy. The scanning electron microscope (SEM) and the high-resolution transmission electron microscope (HR-TEM) were applied to characterize the morphology, size, shape, crystallinity and lattice spacing. Good matching was detected between the obtained d values using electron diffraction data and those calculated from x-ray analysis. Well defined nanocrystalline structure with average interatomic distances equaling 0.229 nm, 0.286 nm together with many successive rings with sharp diffraction spots characterized the Fe-doped system. In contrast, partially distorted structured planes and smeared halo surrounded by weak rings were detected in the Mn-doped system. Thermo-magnetic measurements (M-T) were performed for both systems. In addition to Curie transition, many magnetic phase transitions were detected and confirmed through the ΔM/ ΔT vs. T relationship. The field-dependence magnetization (M-H) was measured at different temperatures. The M-H hysteresis loops showed the ferromagnetic character for both systems. Tentative magnetic phase diagrams are suggested as a guide for future research.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

High Performance non-PGM Transition Metal Oxide ORR Catalysts of PEMFCs

This project was designed to develop acid-stable PGM-free transition metal oxide oxygen reduction reaction (ORR) electrocatalysts to meet or exceed the performance and durability of the DOE 2020 Technical Targets for platinum-group metal (PGM) free electrocatalysts from first-principles to incorporation into membrane-electrode assemblies (MEAs) for polymer electrolyte membrane (PEM) fuel cells. The planned project was to accomplish this goal with a multi-step approach: 1) materials modeling and experimental screening to identify acid-stable oxides with high ORR activity, 2) optimization of catalyst particle size and catalyst/carbon/ionomer catalyst layer composition, 3) fabrication of MEAs for performance and durability testing. During the course of this project: 1) acid-stability descriptors were developed for manganese oxides; 2) a family of acid-stable multicomponent oxides based on antimony were developed; 3) a flexible synthesis for the formation of nanocrystalline nonstoichiometric oxides was developed; 4) limited ORR activity but modest and improving oxygen evolution reaction (OER) activity was measured for multicomponent antimony oxides. The project was programmed into five technical tasks: The development of acid-stable ORR electrocatalytic oxides through 1) identification and optimization of acid-stable oxide compositions, and 2) electrochemical characterization; 3) optimization of catalyst layer composition for MEAs using identified ORR electrocatalysts; 4) MEA fabrication and performance testing to result in performance of 44 mA-cm-2 at 0.9 V vs. RHE; and 5) accelerated-stress testing of optimized MEAs. Because no acid-stable oxide was identified with the requisite activity for ORR (4.4 µA-cm-2oxide intrinsic activity at 0.9 V vs. RHE) within the time and budget allotted in Tasks 1 and 2, the project was halted at the end of phase 1, with no activity in Tasks 3-5. The research output, while not succeeding in developing ORR electrocatalysts, advanced the development of acid-stable oxide materials, showing potential for further improvement as OER electrocatalysts.

08 HYDROGEN↗

University Partnership Program for Scintillator Materials Research

The Scintillation Detection Development (SDD) group of the Particle Physics Division (PPD) at Fermi National Accelerator Laboratory (Fermilab) conducts research and development work in the field of materials that exhibit scintillation properties for use in particle detection and identification in nuclear and high energy physics experiments and applications. SDD has established a University Partnership Program for Scintillator Materials Research (Program), to facilitate collaboration with faculty and students from local universities. The collaboration between the SDD group and Dominican University will address the development of new plastic scintillating materials in two ways: 3.1. Synthesis of new organic fluorescent compounds to test with plastics commonly used in scintillation applications 3.2. Preparation and testing of commercially available plastics known for their resilience to radiation and rarely used in scintillation applications

43 PARTICLE ACCELERATORS↗