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DOE OSTI2022

FLASSH 1.0: Thermal scattering law evaluation and cross section generation for reactor physics applications

The Full Law Analysis Scattering System Hub (FLASSH) is a modern, advanced code which evaluates the thermal scattering law (TSL) along with accompanying cross sections. FLASSH features generalized methods which accommodate any material structure. Historical approximations including the incoherent and cubic approximations have been removed. Instead, the latest release of FLASSH features advanced physics options including distinct corrections (1-phonon contributions) and non-cubic formulations. The non-cubic elastic and inelastic contributions are necessary to accurately evaluate 1-phonon contributions. Both non-cubic and 1-phonon calculations require high-density sampling of the various scattering directions. Optimization and parallelization of these routines were therefore necessary to produce results in a reasonable timeframe. With these notable improvements to the generalized TSL, FLASSH 1.0 meets benchmark requirements, demonstrating noticeable agreement with experiment for both TSLs and the resulting integrated cross sections. Additional features including a graphical user interface (GUI), plotting diagnostics, and formatted output options including ACE files allow users to complete a TSL evaluation with minimal input and maximum flexibility. The user GUI creates input files for FLASSH, reducing user error and also providing built-in error checks. Autofill options and suggested input values help make TSL evaluation accessible to novice users. The FLASSH code is compiled to run on both Windows and Linux platforms with automatic parallelization. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2010

ADVANCED X-BAND TEST ACCELERATOR FOR HIGH BRIGHTNESS ELECTRON AND GAMMA RAY BEAMS

In support of Compton scattering gamma-ray source efforts at LLNL, a multi-bunch test stand is being developed to investigate accelerator optimization for future upgrades. This test stand will enable work to explore the science and technology paths required to boost the current 10 Hz monoenergetic gamma-ray (MEGa-Ray) technology to an effective repetition rate exceeding 1 kHz, potentially increasing the average gamma-ray brightness by two orders of magnitude. Multiple bunches must be of exceedingly high quality to produce narrow-bandwidth gamma-rays. Modeling efforts will be presented, along with plans for a multi-bunch test stand at LLNL. The test stand will consist of a 5.5 cell X-band rf photoinjector, single accelerator section, and beam diagnostics. The photoinjector will be a high gradient standing wave structure, featuring a dual feed racetrack coupler. The accelerator will increase the electron energy so that the emittance can be measured using quadrupole scanning techniques. Multi-bunch diagnostics will be developed so that the beam quality can be measured and compared with theory. Design will be presented with modeling simulations, and layout plans.

42 ENGINEERING↗

DOE OSTI2012

Advanced X-Band Test Accelerator for High Brightness Electron and Gamma Ray Beams

43 PARTICLE ACCELERATORS↗

DOE OSTI2010

Intensity-Modulated Whole Abdominal Radiotherapy After Surgery and Carboplatin/Taxane Chemotherapy for Advanced Ovarian Cancer: Phase I Study

Purpose: To assess the feasibility and toxicity of consolidative intensity-modulated whole abdominal radiotherapy (WAR) after surgery and chemotherapy in high-risk patients with advanced ovarian cancer. Methods and Materials: Ten patients with optimally debulked ovarian cancer International Federation of Gynecology and Obstetrics Stage IIIc were treated in a Phase I study with intensity-modulated WAR up to a total dose of 30 Gy in 1.5-Gy fractions as consolidation therapy after adjuvant carboplatin/taxane chemotherapy. Treatment was delivered using intensity-modulated radiotherapy in a step-and-shoot technique (n = 3) or a helical tomotherapy technique (n = 7). The planning target volume included the entire peritoneal cavity and the pelvic and para-aortal node regions. Organs at risk were kidneys, liver, heart, vertebral bodies, and pelvic bones. Results: Intensity-modulated WAR resulted in an excellent coverage of the planning target volume and an effective sparing of the organs at risk. The treatment was well tolerated, and no severe Grade 4 acute side effects occurred. Common Toxicity Criteria Grade III toxicities were as follows: diarrhea (n = 1), thrombocytopenia (n = 1), and leukopenia (n = 3). Radiotherapy could be completed by all the patients without any toxicity-related interruption. Median follow-up was 23 months, and 4 patients had tumor recurrence (intraperitoneal progression, n = 3; hepatic metastasis, n = 1). Small bowel obstruction caused by adhesions occurred in 3 patients. Conclusions: The results of this Phase I study showed for the first time, to our knowledge, the clinical feasibility of intensity-modulated whole abdominal radiotherapy, which could offer a new therapeutic option for consolidation treatment of advanced ovarian carcinoma after adjuvant chemotherapy in selected subgroups of patients. We initiated a Phase II study to further evaluate the toxicity of this intensive multimodal treatment.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2026

Understanding Defect Activation and Kinetics in Next Generation CdTe Absorbers

This project investigated the role of defects and dopants in cadmium telluride (CdTe) solar cells to improve efficiency and long-term stability. Advanced X-ray microscopy and spectroscopy techniques were used to map composition, identify defect structures, and measure charge collection at the nanoscale. These experimental results were combined with computational modeling to understand how dopants such as copper and arsenic interact with other elements during processing. The study found that many dopants become electrically inactive due to the formation of complexes with chlorine and oxygen, limiting carrier concentration and device performance. It also showed that selenium, used to enhance efficiency, can migrate within the material during both manufacturing and operation, altering local structure and potentially affecting stability. The project developed new diagnostic and analysis tools for studying photovoltaic materials and provided a mechanistic understanding of key performance limitations. These insights support the development of more efficient, stable, and cost-effective CdTe solar technologies for large-scale energy deployment.

14 SOLAR ENERGY↗

NASA NTRS2012

Heliophysics from and of the Moon - the Solar Occultation Explorer (SOX)

The fundamental processes of the inner corona of the Sun at 1.1 to 3 solar radii can occasionally be investigated in detail by ground-based solar eclipse observations at quasi-yearly intervals. The combination of portable ground-based telescopes and the distant occulting edge provided by the lunar limb allows imaging of coronal structure and ion excitation emission lines at the highest available spatial and spectral resolution. These observations are limited to the visible eastern and western coronal regions and cannot view the intervening region over the central disk in the hemisphere towards Earth. A comparable configuration for continuous coronal observations from a spacecraft, e.g. with an external occulter disk on a 100-meter boom, is conceivable and could generate 3-D data models of the corona via tomographic reconstruction from time series measurements but may not now be technically or economically feasible. The faster and cheaper approach would be to make high cadence eclipse observations from one or more small satellites in lunar orbit. The Solar Occultation Explorer (SOX) is suggested as an explorer-class NASA mission that would conduct eclipse observations at daily to hourly cadence depending on the orbit. This smallsat would carry two principal instrument suites: (1 ) spectroscopic imaging telescope with sub-nm resolution for selected coronal emission lines diagnostic of coronal plasma charge state, denSity, and temperature, and (2) in-situ field & particle instrument suite for measurements of the solar wind and local lunar environments. The most comparable flight heritage instrument, the LASCO C1 spectrometer on the Solar and Heliospheric Observatory (SOHO) mission, did achieve high visible-band spectral resolution with a Fabry-Perot interferometer but was limited in brightness sensitivity by usage of an internal occulter system and has not been operational since June 1998 The SOX mission concept is undergoing initial study by the Lunar Solar Origins Exploration (LunaSOX) project of the NASA Lunar Advanced Science and Exploration Research (LASER) program. This mission would offer high complementarity with the planned Solar Probe Plus spacecraft, designed to investigate.

Cooper, John F.↗

DOE OSTI2010

Toxicity and Outcome Results of a Class Solution With Moderately Hypofractionated Radiotherapy in Inoperable Stage III Non-Small Cell Lung Cancer Using Helical Tomotherapy

Purpose: To prospectively assess the feasibility, toxicity, and local control of a class solution protocol of moderately hypofractionated tomotherapy in Stage III, inoperable, locally advanced non-small-cell lung cancer patients. Methods and Materials: Eligible patients were treated according to a uniform class solution (70.5 Gy in 30 fractions) with fixed constraints and priorities using helical tomotherapy. Toxicity monitoring was performed using the Radiation Therapy Oncology Group criteria and the National Cancer Institute Common Terminology Criteria and Adverse Events (CTCAE) version 3.0. Pulmonary function tests were performed at the start and repeated at 3 months after treatment. Results: Our class solution resulted in a deliverable plan in all 40 consecutive patients. Acute Grade 3 lung toxicity was seen in 10% of patients. Two patients died during acute follow-up with pulmonary toxicity. Correlations were found between changes in pulmonary function test results and mean lung dose or the lung volume receiving 20 Gy (V{sub 20}). The correlation was strongest for lung diffusion capacity for carbon monoxide. A V{sub 20} of >27% and >32% were predictive for Grades 2 and 3 acute lung toxicity respectively (p < 0.05). Late Grade 3 toxicity was exclusively pulmonary, with an incidence of 16%. Overall Grade 3 lung toxicity correlated with a mean lung dose of >18 Gy and a median lung dose of >5 Gy (p < 0.05). Median survival was 17 months, and the 1-year and 2-year local progression-free survivals were 66% and 50%, respectively. Conclusion: The current class solution using moderately hypofractionated helical tomotherapy in patients with locally advanced non-small-cell lung cancer is feasible. Toxicity was acceptable and in line with other reports on intensity-modulated radiotherapy. The local progression-free survival was encouraging considering the unselected population.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2014

Differential Motion Between Mediastinal Lymph Nodes and Primary Tumor in Radically Irradiated Lung Cancer Patients

Purpose/Objective: In patients with locally advanced lung cancer, planning target volume margins for mediastinal lymph nodes and tumor after a correction protocol based on bony anatomy registration typically range from 1 to 1.5 cm. Detailed information about lymph node motion variability and differential motion with the primary tumor, however, is lacking from large series. In this study, lymph node and tumor position variability were analyzed in detail and correlated to the main carina to evaluate possible margin reduction. Methods and Materials: Small gold fiducial markers (0.35 × 5 mm) were placed in the mediastinal lymph nodes of 51 patients with non-small cell lung cancer during routine diagnostic esophageal or bronchial endoscopic ultrasonography. Four-dimensional (4D) planning computed tomographic (CT) and daily 4D cone beam (CB) CT scans were acquired before and during radical radiation therapy (66 Gy in 24 fractions). Each CBCT was registered in 3-dimensions (bony anatomy) and 4D (tumor, marker, and carina) to the planning CT scan. Subsequently, systematic and random residual misalignments of the time-averaged lymph node and tumor position relative to the bony anatomy and carina were determined. Additionally, tumor and lymph node respiratory amplitude variability was quantified. Finally, required margins were quantified by use of a recipe for dual targets. Results: Relative to the bony anatomy, systematic and random errors ranged from 0.16 to 0.32 cm for the markers and from 0.15 to 0.33 cm for the tumor, but despite similar ranges there was limited correlation (0.17-0.71) owing to differential motion. A large variability in lymph node amplitude between patients was observed, with an average motion of 0.56 cm in the cranial-caudal direction. Margins could be reduced by 10% (left-right), 27% (cranial-caudal), and 10% (anteroposterior) for the lymph nodes and −2%, 15%, and 7% for the tumor if an online carina registration protocol replaced a protocol based on bony anatomy registration. Conclusions: Detailed analysis revealed considerable lymph node position variability, differential motion, and respiratory motion. Planning target volume margins can be reduced up to 27% in lung cancer patients when the carina registration replaces bony anatomy registration.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2022

U.S. Department of Energy: National Virtual Biotechnology Laboratory (Technical Report)

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. The NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply shortages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. As part of the NVBL framework, DOE rapidly assembled five project teams to (1) identify new targets for medical therapeutics; (2) develop innovations in testing capabilities; (3) provide epidemiological and logistical support; (4) understand viral fate and transport in the environment; and (5) address supply chain bottlenecks by harnessing extensive additive manufacturing capabilities. Each research team was charged with defining high-impact projects that could be completed in a 6-month sprint while coordinating their developments with academia, other government agencies, and the private sector. Within months, NVBL teams used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported efforts by the U.S. Food and Drug Administration, Centers for Disease Control and Prevention, and U.S. Department of Defense to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. To minimize virus uptake and protect human health, NVBL teams studied how to control indoor virus movement. Researchers also produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment, creating nearly 1,000 new jobs. Through its NVBL framework, DOE has contributed significantly to the nation’s COVID response, demonstrating in only a few months the critical impact of its national laboratories. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development solutions. Going forward, the NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, DOE will continue to be an integral component of agency-wide efforts to prepare for and respond to biorisks and other crises. This technical report describes the goals, progress, and results of NVBL’s five project teams—Molecular Design for COVID-19 Therapeutics, COVID-19 Testing, Epidemiological Modeling, Viral Fate and Transport, and Materials and Manufacturing of Critical Supplies—and lists each team’s publications and research output.

42 ENGINEERING↗

NASA NTRS2005

Propulsion Control Technology Development in the United States A Historical Perspective

This paper presents a historical perspective of the advancement of control technologies for aircraft gas turbine engines. The paper primarily covers technology advances in the United States in the last 60 years (1940 to approximately 2002). The paper emphasizes the pioneering technologies that have been tested or implemented during this period, assimilating knowledge and experience from industry experts, including personal interviews with both current and retired experts. Since the first United States-built aircraft gas turbine engine was flown in 1942, engine control technology has evolved from a simple hydro-mechanical fuel metering valve to a full-authority digital electronic control system (FADEC) that is common to all modern aircraft propulsion systems. At the same time, control systems have provided engine diagnostic functions. Engine diagnostic capabilities have also evolved from pilot observation of engine gauges to the automated on-board diagnostic system that uses mathematical models to assess engine health and assist in post-flight troubleshooting and maintenance. Using system complexity and capability as a measure, we can break the historical development of control systems down to four phases: (1) the start-up phase (1942 to 1949), (2) the growth phase (1950 to 1969), (3) the electronic phase (1970 to 1989), and (4) the integration phase (1990 to 2002). In each phase, the state-of-the-art control technology is described and the engines that have become historical landmarks, from the control and diagnostic standpoint, are identified. Finally, a historical perspective of engine controls in the last 60 years is presented in terms of control system complexity, number of sensors, number of lines of software (or embedded code), and other factors.

Jaw, Link C.a↗

NASA NTRS2009

Transitioning NPOESS Data to Weather Offices: The SPoRT Paradigm with EOS Data

Real-time satellite information provides one of many data sources used by NWS weather forecast offices (WFOs) to diagnose current weather conditions and to assist in short-term forecast preparation. While GOES satellite data provides relatively coarse spatial resolution coverage of the continental U.S. on a 10-15 minute repeat cycle, polar orbiting imagery has the potential to provide snapshots of weather conditions at high-resolution in many spectral channels. Additionally, polar orbiting sounding data can provide additional information on the thermodynamic structure of the atmosphere in data sparse regions of at asynoptic observation times. The NASA Short-term Prediction Research and Transition (SPoRT) project has demonstrated the utility of polar orbiting MODIS and AIRS data on the Terra and Aqua satellites to improve weather diagnostics and short-term forecasting on the regional and local scales. SPoRT scientists work directly forecasters at selected WFOS in the Southern Region (SR) to help them ingest these unique data streams into their AWIPS system, understand how to use the data (through on-site and distance learn techniques), and demonstrate the utility of these products to address significant forecast problems. This process also prepares forecasters for the use of similar observational capabilities from NPOESS operational sensors. NPOESS environmental data records (EDRs) from the Visible 1 Infrared Imager I Radiometer Suite (VIIRS), the Cross-track Infrared Sounder (CrlS) and Advanced Technology Microwave Sounder (ATMS) instruments and additional value-added products produced by NESDIS will be available in near real-time and made available to WFOs to extend their use of NASA EOS data into the NPOESS era. These new data streams will be integrated into the NWs's new AWIPS II decision support tools. The AWIPS I1 system to be unveiled in WFOs in 2009 will be a JAVA-based decision support system which preserves the functionality of the existing systems and offers unique development opportunities for new data sources and applications in the Service Orientated Architecture ISOA) environment. This paper will highlight some of the SPoRT activities leading to the integration of VllRS and CrIS/ATMS data into the display capabilities of these new systems to support short-term forecasting problems at WFOs.

Jedlovec, Gary↗

NASA NTRS2014

GeoLab: A Geological Workstation for Future Missions

The GeoLab glovebox was, until November 2012, fully integrated into NASA's Deep Space Habitat (DSH) Analog Testbed. The conceptual design for GeoLab came from several sources, including current research instruments (Microgravity Science Glovebox) used on the International Space Station, existing Astromaterials Curation Laboratory hardware and clean room procedures, and mission scenarios developed for earlier programs. GeoLab allowed NASA scientists to test science operations related to contained sample examination during simulated exploration missions. The team demonstrated science operations that enhance theThe GeoLab glovebox was, until November 2012, fully integrated into NASA's Deep Space Habitat (DSH) Analog Testbed. The conceptual design for GeoLab came from several sources, including current research instruments (Microgravity Science Glovebox) used on the International Space Station, existing Astromaterials Curation Laboratory hardware and clean room procedures, and mission scenarios developed for earlier programs. GeoLab allowed NASA scientists to test science operations related to contained sample examination during simulated exploration missions. The team demonstrated science operations that enhance the early scientific returns from future missions and ensure that the best samples are selected for Earth return. The facility was also designed to foster the development of instrument technology. Since 2009, when GeoLab design and construction began, the GeoLab team [a group of scientists from the Astromaterials Acquisition and Curation Office within the Astromaterials Research and Exploration Science (ARES) Directorate at JSC] has progressively developed and reconfigured the GeoLab hardware and software interfaces and developed test objectives, which were to 1) determine requirements and strategies for sample handling and prioritization for geological operations on other planetary surfaces, 2) assess the scientific contribution of selective in-situ sample characterization for mission planning, operations, and sample prioritization, 3) evaluate analytical instruments and tools for providing efficient and meaningful data in advance of sample return and 4) identify science operations that leverage human presence with robotic tools. In the first year of tests (2010), GeoLab examined basic glovebox operations performed by one and two crewmembers and science operations performed by a remote science team. The 2010 tests also examined the efficacy of basic sample characterization [descriptions, microscopic imagery, X-ray fluorescence (XRF) analyses] and feedback to the science team. In year 2 (2011), the GeoLab team tested enhanced software and interfaces for the crew and science team (including Web-based and mobile device displays) and demonstrated laboratory configurability with a new diagnostic instrument (the Multispectral Microscopic Imager from the JPL and Arizona State University). In year 3 (2012), the GeoLab team installed and tested a robotic sample manipulator and evaluated robotic-human interfaces for science operations.

Evans, Cynthia↗

DOE OSTI2017

How to reduce Shutdown Dose Rates in ITER Diagnostics Equatorial Ports

The ITER vacuum vessel presents 54 access ports, arranged in three levels, where port plugs are inserted hosting different types of systems: test blanket modules, antennas, vacuum pumps, neutral beam injectors and diagnostics. At the equatorial level, nine out of the eighteen access ports present diagnostics port plugs, in which the diagnostics systems are deployed into three DSMs (Diagnostics Shield Modules). The DSMs, being a major constituent in volume of the port plugs, must help to fulfill the design target of Shutdown Dose Rates (SDDR) corresponding to 100 μSv.h{sup -1} after 10{sup 6} s of cooling time for planned in-situ maintenance operations in the port interspace. Additionally, the DSMs are largely responsible for the port plug drained weight limit of 45 T, which imposes limitations to the shielding technology. Up to now, all the proposed DSM designs combine differently stainless steel, water and/or B{sub 4}C as shielding to accommodate a maximum of 1.1 m{sup 3} of DSM bulk shield, contained into a L 1845 x W 518 x H 2011 mm stainless steel box weighting 5.8 T for each DSM. These proposals show insufficient shielding properties with respect to SDDR, while none of them satisfies currently the weight limit. However, during 2016, a new DSM concept has been developed, named 'modular DSM', with significant engineering advances and changes. The DSM length has been increased by 500 mm, up to 2345 mm. The SS box has been reduced to the minimum structure required, presenting the same weight while being larger and hosting a larger volume of bulk shielding inside. Thus, the volume of bulk shielding has been enlarged up to 1.5 m{sup 3} per DSM. The shielding technology is based on B{sub 4}C bricks deployed in SS trays that are attached to the vertical plates. This results in a bulk shielding made of 65% of B{sub 4}C, 10% SS and 25% void, with effective density of 2.4 g.cm{sup -3}. In summary, the modular DSM, without a weight increase, hosts extra 0.5 m3 of bulk shielding along an additional 500 mm of length, to be used with a light but highly neutron absorber, what allows fitting the weight limit of 45 T for the port plug once drained. From now, the non-modular DSMs will be referred as 'short DSMs'. The modular DSM's advantages with respect to the short DSM versions have shown that the DSMs design can be improved in generic approach, i.e. when the penetrations of the systems are not taken into consideration. A mention apart is required when port specific penetrations are considered. Provided that they will be an important radiation transmission path, their presence could significantly diminish the improvement. To clarify this issue, in this work we have carried out a nuclear analysis of the ITER equatorial port no. 11 integration considering the modular DSM. It is a first plasma port hosting the following 6 major diagnostics systems: Neutral Particle Analyzer (NPA), H-α monitor, Low Field Side (LFS) reflectometry, Visible - Ultraviolet divertor (VUV div), Visible - Ultraviolet core survey (VUV CS) and X-rays Crystal System (XRCS). For the baseline case, a SDDR matrix has been derived assigning responsibilities to the different EP no. 11 individual systems in terms of neutron flux transmission through them, and the related activation due to that neutron flux (activation of itself, but also of the rest of systems taken one by one). Different EP no. 11 configurations have been studied in addition to the baseline case. For example, the backfill of the port plug penetrations to protect all the empty space not required for systems sight. Another issue is the determination of the role of the Co impurity content minimization from 0.05 wt.% to 0.03 wt.% recently proposed. In this summary, only some results related to the baseline are given.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2026

A Step-by-Step Protocol from METASPACE to Biological Interpretation

Mass spectrometry imaging (MSI) represents an exceptional tool for exploring complex biological systems spatially at the molecular level. However, due to its multidimensional nature and large-scale data output, it presents considerable challenges when it comes to extracting meaningful biological insights. Recent advancements, such as the METASPACE platform, have enabled researchers to efficiently process, annotate, and interpret MSI datasets by leveraging machine learning and cloud-based infrastructure. In this tutorial, we present a detailed and user-friendly R-pipeline designed to help METASPACE users navigate untargeted metabolomic annotations and transform them into practical insights about their biological systems. By combining METASPACE annotations with rapid R-based screening, this workflow not only streamlined the analytical process but also enhanced the understanding of spatial molecular distribution, especially for complex systems. Here, this easy-to-follow approach has the potential for applications in diagnostics, drug discovery, environmental and ecological processes, and more. We envision this pipeline to be particularly useful for newcomers to the field of MSI and

Moreno Pedraza, Abigail↗

DOE OSTI2024

Direct reuse of graphite and lithium nickel manganese cobalt oxide (NMC) recovered from ultrafast-laser ablation debris in Li-ion battery electrodes

Here we demonstrate that debris collected from the ultrafast-laser ablation of graphite anodes can be directly reused in a lithium-ion battery with little to no negative effects on electrochemical performance. Further, we show that while post-ablation NMC (LiNi 0.33 Mn 0.33 Co 0.33 O) cathode debris will require additional processing before being incorporated into an electrode, its critical materials (nickel, manganese, and cobalt) are not lost during ablation and can be recovered for recycling. Pre- and post-ablation materials are characterized with a suite of diagnostics, including SEM, TEM, X-ray CT, EDS, and XRD, to study changes in material morphology, composition and crystal structure. Graphite exhibited little to no morphological or compositional changes and a slight annealing of its crystal structure. NMC underwent profound morphological and crystallographic changes, but retained its elemental composition. Finally, post-ablation materials were re-manufactured into electrodes and cycled vs lithium metal. Graphite showed equal or better capacity and Coulombic efficiency compared to pre-ablation electrodes, while the post-ablation NMC exhibited severely reduced electrochemical performance. Furthermore, we discuss the outlook for application of this work to advanced manufacturing lines that produce next-generation, laser-patterned electrodes.

25 ENERGY STORAGE↗

DOE OSTI2014

Design of a retarding potential grid system for a neutral particle analyzer

The ion energy distribution in a magnetically confined plasma can be inferred from charge exchange neutral particles. On the Madison Symmetric Torus (MST), deuterium neutrals are measured by the Florida A and M University compact neutral particle analyzer (CNPA) and the advanced neutral particle analyzer (ANPA). The CNPA energy range covers the bulk deuterium ions to the beginning of the fast ion tail (0.34–5.2 keV) with high-energy resolution (25 channels) while the ANPA covers the vast majority of the fast ion tail distribution (∼10–45 keV) with low energy resolution (10 channels). Though the ANPA has provided insight into fast ion energization in MST plasma, more can be gained by increasing the energy resolution in that energy range. To utilize the energy resolution of the CNPA, fast ions can be retarded by an electric potential well, enabling their detection by the diagnostic. The ion energy distribution can be measured with arbitrary resolution by combining data from many similar MST discharges with different energy ranges on the CNPA, providing further insight into ion energization and fast ion dynamics on MST.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2018

Review Article: Stress in thin films and coatings: Current status, challenges, and prospects

The issue of stress in thin films and functional coatings is a persistent problem in materials science and technology that has congregated many efforts, both from experimental and fundamental points of view, to get a better understanding on how to deal with, how to tailor, and how to manage stress in many areas of applications. With the miniaturization of device components, the quest for increasingly complex film architectures and multiphase systems and the continuous demands for enhanced performance, there is a need toward the reliable assessment of stress on a submicron scale from spatially resolved techniques. Also, the stress evolution during film and coating synthesis using physical vapor deposition (PVD), chemical vapor deposition, plasma enhanced chemical vapor deposition (PECVD), and related processes is the result of many interrelated factors and competing stress sources so that the task to provide a unified picture and a comprehensive model from the vast amount of stress data remains very challenging. This article summarizes the recent advances, challenges, and prospects of both fundamental and applied aspects of stress in thin films and engineering coatings and systems, based on recent achievements presented during the 2016 Stress Workshop entitled “Stress Evolution in Thin Films and Coatings: from Fundamental Understanding to Control.” Evaluation methods, implying wafer curvature, x-ray diffraction, or focused ion beam removal techniques, are reviewed. Selected examples of stress evolution in elemental and alloyed systems, graded layers, and multilayer-stacks as well as amorphous films deposited using a variety of PVD and PECVD techniques are highlighted. Based on mechanisms uncovered by in situ and real-time diagnostics, a kinetic model is outlined that is capable of reproducing the dependence of intrinsic (growth) stress on the grain size, growth rate, and deposited energy. The problems and solutions related to stress in the context of optical coatings, inorganic coatings on plastic substrates, and tribological coatings for aerospace applications are critically examined. This review also suggests strategies to mitigate excessive stress levels from novel coating synthesis perspectives to microstructural design approaches, including the ability to empower crack-based fabrication processes, pathways leading to stress relaxation and compensation, as well as management of the film and coating growth conditions with respect to energetic ion bombardment. Future opportunities and challenges for stress engineering and stress modeling are considered and outlined.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Simulation studies for beam commissioning at FRIB Advanced Rare Isotope Separator

The Facility for Rare Isotope Beams (FRIB) includes a powerful superconducting driver accelerator and an Advanced Rare Isotope Separator (ARIS). The ARIS collects and purifies the rare isotope fragments of interest for experiments in nuclear physics, nuclear astrophysics, fundamental symmetries, etc. ARIS consists of a vertical pre-separator and downstream horizontal separator section (C-Bend). Each section can provide a high-resolution separation alternatively. The resolution reduction due to the emittance induced by momentum compression can be avoided by isotope separation in different dispersive planes. Beam commissioning of ARIS for the first experiments was completed and demonstrated particle identification of fragments. The beam tuning in ARIS largely relies on numerical simulations since the limited space for diagnostics. Here, we report the result of the beam trajectory correction, transverse matching, and beam-based misalignment studies at ARIS.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗