SEARCH · Engineering Papers

Results for “Pathways Program”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 595 records · Page 33

All sources NASA NTRS DOE OSTI

DOE OSTI2016

WE-G-204-01: Building a Career in Academic Medical Physics: The Hardest and Best Job You Will Ever Have!

While many indicators for academic medical physics are distressing – jobs are tight, demands on clinical time are high (and getting worse) and national funding has been flat for several years (meaning less money in reality) the present is perhaps one of the most exciting times in cancer research history, and medical physicists have an opportunity to make a difference. Many of us predict the impact of medical physics on cancer research over the next decade to be more significant than ever. Why is that? First, medical imaging is used for every cancer patient in developed countries. Every improvement in the acquisition, processing or analysis of radiological images has the potential to impact patients. The use of radiation therapy is at an all-time high – and virtually cannot be performed without medical physics. Many of the advances in both biomedical imaging and radiation oncology are the result of the hard work of academic medical physicists who are thinking of the next generation of technologies that will be used against cancer or an even broader spectrum of diseases. A career in academic medical physics is demanding, particularly for those with clinical responsibilities. As the demands for justification of their clinical effort become increasingly metricized, the ability to do “unfunded research” will become even more difficult. This means that many will have to generate external salary support to justify their efforts in research and development. This comes at a time when funding for research is compressed and harder to obtain. Generally speaking, if you are not contributing 50% or more of your effort to research, you are competing at a disadvantage and it is very unlikely you will get an NIH/NCI/NIBIB grant. Furthermore, in the ongoing effort to improve patient care and safety, we have developed credentialing pathways that now require at least two-years of residency training. This full-time clinical training creates a gap in the research trajectory of graduate students who aspire to academic positions with an expectation for extramural funding. To address this, several residency programs have created hybrid programs where the two-years of clinical training is combined with one or two years of research effort to allow candidates to further establish an academic identity and to ensure adequate academic productivity to compete for a beginning faculty position. In conclusion, while the path to a successful career in academic medical physics is steep and sometimes hard to follow, reaching the apex is worth the journey. Different paths to a career in medical physics are available, you just have to decide which one is right for you. If improving cancer care is your goal as a physicist, then academic medical physics is the job for you!.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

WE-G-204-02: So You Want to Do Research: Two Approaches to Beginning a Career in Medical Physics Research

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Abstract for CRADA between NETL and Rivalia Chemical Co

The National Energy Technology Laboratory (NETL) will assist Rivalia Chemical Co (Participant) with system analyses to aid the Participant with setting priorities and securing funding. The Participant is an early-stage startup pioneering new chemical extraction technology to solve two important problems: critical mineral scarcity and coal ash waste management. The U.S. generates coal fly ash from coal combustion for power generation and has amassed over two billion metric tons of ash, which contains valuable rare earth elements. The ash is often stored in unlined ponds and frequently contaminates the local environment. The Participant’s patent-pending process harvests rare earths from ash, then transforms the residual ash for use in green concrete, providing an economic pathway for utilities to empty and remediate the ash ponds. Founder Laura Stoy created the company in July 2022 after developing the core intellectual property during her Ph.D. at the Georgia Institute of Technology. Stoy is currently participating in the Chain Reactions Innovations (CRI) program at the U.S. Department of Energy (DOE) Argonne National Laboratory (ANL) where she will be optimizing the core technology and scaling from bench scale to demonstration scale. The technology has been validated at bench scale (TRL3); the goal is to approach TRL5 by the conclusion of the CRI program and prepare to raise capital investment for a pilot facility. NETL and the Participant will develop an updated technoeconomic analysis (TEA) and identify key sustainability performance parameters to inform ’s research and development priorities and de-risk the technology. NETL will also provide the Participant with guidance to prepare a more detailed life cycle assessment (LCA), and a narrative on the Participant’s product markets. These tools will aid the Participant with the next steps of commercialization.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2025

University Data Management Pilot Utilizing the Nuclear Research Data System

Background In 2022, the Office of Science and Technology Policy (OSTP) issued a memo that significantly reshaped the landscape of access to federally funded research. The memo mandated that all taxpayer-funded research be made available to the public without delay upon publication, without an embargo period, superseding the 2013 OSTP public access policy. This public access policy promotes transparency and the democratization of knowledge, ensuring that the fruits of scientific endeavors funded by federal agencies could be immediately accessed and built upon by scientists, educators, students, and the public at large. To implement the requirements of the OSTP guidance and DOE Public Access Plan, the Office of Nuclear Energy (NE) has implemented public access plan guidance and has identified several areas where better data management practices would further expand public access to important nuclear energy related scientific data, reports, and other technical products. Significant NE supported efforts are already underway for data management and public access to important nuclear energy related data.1 2 To address gaps in data management practices, and improve retention and accessibility of data, NE is actively exploring enhanced data management options utilizing its high-performance computing resources administered by its Nuclear Scientific User Facility Program. A newly piloted system, the Nuclear Research Data System (NRDS) acts as a portal for data collection and dissemination. Nuclear Energy University Program Research and Development Portfolio According to Web of Science, NEUP has produced 2,345 journal publication that have been cited more than 61,000 times3 and countless conference proceedings. These publications are publicly available through OSTI.gov and in the open literature. Additional scientific and technical products including project milestones that are not publications and NEUP project final reports are vetted through OSTI.gov and released once reviewed and approved by DOE. Since 2009, NEUP has awarded close to 1,000 different R&D projects in technical areas across the NE research programs. As of June 2023, 512 NEUP reports are publicly available on OSTI. The underlying data for projects is still held at universities, and data transfer, co-location, and dissemination has not occurred in a systematic way. NEUP data is currently accessible through myriad university-based data repositories, or through direct requests to PIs. The program identified this patchwork of repositories, or often lack of publicly available data, as a significant barrier to an organized, accessible, and comprehensive solution to sharing data with the larger nuclear energy community. Approach The goal of this pilot project is to establish a pathway to a consolidated long-term repository for NEUP project data. To accomplish this goal, the pilot strives to accomplish the following objectives: Establish data collection standards, including a standard set of required supplementary information to contextualize and support raw data files. Work with the HPC group collect and upload information and to modify the NRDS system, as needed, to support a standardized approach. Resolve potential barriers to successful roll out of an expanded data collection strategy, including modifying data management plan guidelines and establishing a document and data release process that accounts for potential intellectual property and/or export control concerns. Results Overall, the pilot was successful in collecting 8,982 raw and processes data files, 220 reports, 56 calibration files, and 5,931 other supplementary documents. Supplementary documents included experimental plans, methods, journal publications and conference proceedings, milestone reports, and final reports. Figure 2 shows the number of data sets and supplementary project information provided by each project. Projects has significantly different input, depending on experimental data produced and completeness of the datasets provided.

Data collection↗

DOE OSTI2022

Re-Programing Glucose Catabolism in the Microalga Chlorella sorokiniana under Light Condition

The microalga Chlorella sorokiniana has attracted much attention for lipid production and wastewater treatment. It can perform photosynthesis and organic carbon utilization concurrently. To understand its phototrophic metabolism, a biomass compositional analysis, a 13 C metabolic flux analysis, and metabolite pool size analyses were performed. Under dark condition, the oxidative pentose phosphate pathway (OPP) was the major route for glucose catabolism (88% carbon flux) and a cyclic OPP–glycolytic route for glucose catabolism was formed. Under light condition, fluxes in the glucose catabolism, tricarboxylic acid (TCA) cycle, and anaplerotic reaction (CO 2 fixation via phosphoenolpyruvate carboxylase) were all suppressed. Meanwhile, the RuBisCO reaction became active and the ratio of its carbon fixation to glucose carbon utilization was determined as 7:100. Moreover, light condition significantly reduced the pool sizes of sugar phosphate metabolites (such as E4P, F6P, and S7P) and promoted biomass synthesis (which reached 0.155 h –1 ). In addition, light condition increased glucose consumption rates, leading to higher ATP and NADPH production and a higher protein content (43% vs. 30%) in the biomass during the exponential growth phase.

13C-MFA↗

DOE OSTI2015

Synergistic Effect of Nitrogen in Cobalt Nitride and Nitrogen-Doped Hollow Carbon Spheres for Oxygen Reduction Reaction

The need for inexpensive and high-activity oxygen reduction reaction (ORR) electrocatalysts has attracted considerable research interest over the past years. Here we report a novel hybrid that contains cobalt nitride/nitrogen-rich hollow carbon spheres (CoxN/NHCS) as a high-performance catalyst for ORR. The CoxN nanoparticles were uniformly dispersed and confined in the hollow NHCS shell. The performance of the resulting CoxN/NHCS hybrid was comparable with that of a commercial Pt/C at the same catalyst loading toward ORR, but the mass activity of the former was 5.7 times better than that of the latter. The nitrogen in both CoxN and NHCS, especially CoxN, could weaken the adsorption of reaction intermediates (O and OOH), which follows the favourable reaction pathway on CoxN/NHCS according to the DFT-calculated Gibbs free energy diagrams. Our results demonstrated a new strategy for designing and developing inexpensive, non-precious metal electrocatalysts for next-generation fuels. The authors acknowledge the financial support from the National Basic Research Program (973 program, No. 2013CB733501) and the National Natural Science Foundation of China (No. 21306169, 21101137, 21136001, 21176221 and 91334013). Dr. D. Mei is supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. Computing time was granted by the grand challenge of computational catalysis of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). EMSL is a national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and sponsored by DOE’s Office of Biological and Environmental Research.

cobalt nitride↗

DOE OSTI2017

Integrating biomass quality variability in stochastic supply chain modeling and optimization for large-scale biofuel production

The production of biofuels using second-generation feedstocks has been recognized as an important alternative source of sustainable energy and its demand is expected to increase due to regulations such as the Renewable Fuel Standard. However, the pathway to biofuel industry maturity faces unique, unaddressed challenges. Here, to address this challenges, this article presents an optimization model which quantifies and controls the impact of biomass quality variability on supply chain related decisions and technology selection. We propose a two-stage stochastic programming model and associated efficient solution procedures for solving large-scale problems to (1) better represent the random nature of the biomass quality (defined by moisture and ash contents) in supply chain modeling, and (2) assess the impact of these uncertainties on the supply chain design and planning. The proposed model is then applied to a case study in the state of Tennessee. Results show that high moisture and ash contents negatively impact the unit delivery cost since poor biomass quality requires the addition of quality control activities. Experimental results indicate that supply chain cost could increase as much as 27%–31% when biomass quality is poor. We assess the impact of the biomass quality on the topological supply chain. Our case study indicates that biomass quality impacts supply chain costs; thus, it is important to consider the impact of biomass quality in supply chain design and management decisions.

09 BIOMASS FUELS↗

DOE OSTI2017

Thermal-Hydraulic Results for the Boiling Water Reactor Dry Cask Simulator.

The thermal performance of commercial nuclear spent fuel dry storage casks is evaluated through detailed numerical analysis. These modeling efforts are completed by the vendor to demonstrate performance and regulatory compliance. The calculations are then independently verified by the Nuclear Regulatory Commission (NRC). Carefully measured data sets generated from testing of full sized casks or smaller cask analogs are widely recognized as vital for validating these models. Recent advances in dry storage cask designs have significantly increased the maximum thermal load allowed in a cask in part by increasing the efficiency of internal conduction pathways and by increasing the internal convection through greater canister helium pressure. These same canistered cask systems rely on ventilation between the canister and the overpack to convect heat away from the canister to the environment for both aboveground and belowground configurations. While several testing programs have been previously conducted, these earlier validation attempts did not capture the effects of elevated helium pressures or accurately portray the external convection of aboveground and belowground canistered dry cask systems. The purpose of this investigation was to produce validation-quality data that can be used to test the validity of the modeling presently used to determine cladding temperatures in modern vertical dry casks. These cladding temperatures are critical to evaluate cladding integrity throughout the storage cycle. To produce these data sets under well-controlled boundary conditions, the dry cask simulator (DCS) was built to study the thermal-hydraulic response of fuel under a variety of heat loads, internal vessel pressures, and external configurations. An existing electrically heated but otherwise prototypic BWR Incoloy-clad test assembly was deployed inside of a representative storage basket and cylindrical pressure vessel that represents a vertical canister system. The symmetric single assembly geometry with well-controlled boundary conditions simplified interpretation of results. Two different arrangements of ducting were used to mimic conditions for aboveground and belowground storage configurations for vertical, dry cask systems with canisters. Transverse and axial temperature profiles were measured throughout the test assembly. The induced air mass flow rate was measured for both the aboveground and belowground configurations. In addition, the impact of cross-wind conditions on the belowground configuration was quantified. Over 40 unique data sets were collected and analyzed for these efforts. Fourteen data sets for the aboveground configuration were recorded for powers and internal pressures ranging from 0.5 to 5.0 kW and 0.3 to 800 kPa absolute, respectively. Similarly, fourteen data sets were logged for the belowground configuration starting at ambient conditions and concluding with thermal-hydraulic steady state. Over thirteen tests were conducted using a custom-built wind machine. The results documented in this report highlight a small, but representative, subset of the available data from this test series. This addition to the dry cask experimental database signifies a substantial addition of first-of-a-kind, high-fidelity transient and steady-state thermal-hydraulic data sets suitable for CFD model validation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

Detecting and Characterizing Fracture Zones Using a Convolutional Neural Network

This project directly supports the Geothermal Technologies Office (GTO) objectives outlined in the Multi-Year Program Plan (MYPP) by advancing two key research areas: “Exploration and Characterization” and “Data, Modeling, and Analysis.” This project has successfully demonstrated a pre-drilling ability to image and characterize the distribution and connectivity of subsurface faults and fractures, key parameters for identifying permeable pathways that enable geothermal fluids to circulate and produce energy. Specifically, we developed and implemented innovative machine learning methodologies to enhance geothermal exploration. Large-scale faults were detected using a Convolutional Neural Network (CNN), while small-scale fractures were characterized using a novel Double-Beam Neural Network (DBNN). These tools have proven both technically effective and cost-efficient by reducing reliance on expensive exploratory drilling. Through collaboration with our geothermal industry partner, this research has significantly advanced techniques for identifying hidden geothermal systems and extending the productive lifespan of existing geothermal fields. We applied our methods to two geothermal fields—Soda Lake (Nevada) and Lightning Dock (New Mexico)—to identify shallow steam-charged fracture zones and characterize deep faults at depths of 1.5-2 km. The steam zone identified at the Soda Lake geothermal field showed excellent agreement with prior drilling data, validating the effectiveness of our approaches. In addition, the analysis revealed three new prospective drilling targets for further development and verification. The outcomes of this project improve our scientific understanding of geothermal reservoir behavior, enhance exploration efficiency, extend the economic life of existing geothermal plants. Ultimately, these advancements contribute to GTO’s goal of achieving more sustainable, affordable, and data-driven geothermal energy development across the United States.

15 GEOTHERMAL ENERGY↗

DOE OSTI2016

Description of a Dry Cask Simulator for Measuring Internal and External Thermal-Hydraulic Performance

The thermal performance of a commercial nuclear spent fuel dry storage cask is evaluated through detailed analytical modeling. These modeling efforts are performed by the vendor to demonstrate the performance as well as regulatory compliance and are independently verified by the Nuclear Regulatory Commission (NRC). The majority of commercial dry storage casks in use today are aboveground. Cooling of the assemblies located inside the sealed canister is achieved by air flowing in the bottom of the cask and exiting out the top. Carefully measured data sets generated from testing of full sized casks or smaller cask analogs are widely recognized as vital for validating design and performance models. Numerous studies have been previously conducted. Recent advances in dry storage cask designs have significantly increased the maximum thermal load allowed in a cask in part by increasing the efficiency of internal conduction pathways and by increasing the internal convection through greater canister helium pressure. These vertical, canistered cask systems rely on ventilation between the canister and the overpack to convect heat away from the canister to the environment for both above and belowground configurations. While several testing programs have been previously conducted, these earlier validation attempts did not capture the effects of elevated helium pressures or accurately portray the external convection of aboveground and belowground canistered dry cask systems. Thus the enhanced performance of modern dry storage casks cannot be fully validated using previous studies. The purpose of the investigation described in this report is to produce data sets for the validation of assumptions associated with the thermal-hydraulic simulation of modern dry cask storage systems. Of particular interest are the steady-state cladding temperatures and the effect of elevated helium pressures in sealed canisters in both above and belowground designs. An existing electrically heated but otherwise prototypic BWR Incoloy-clad test assembly will be deployed inside of a representative storage basket and cylindrical pressure vessel that will represent the canister. The arrangement of a single assembly with well-controlled boundary conditions should simplify interpretation of results. Various arrangements of outer concentric ducting will be used to mimic conditions for above and belowground storage configurations of vertical, dry cask systems with canisters. Radial and axial temperature profiles will be measured for a wide range of decay power and helium cask pressures. As of this writing, the apparatus is currently under construction at Sandia National Laboratories in Albuquerque, NM and is expected to be operational starting in April 2016. Pre-test CFD calculations have been performed using best available information. These calculations are being used to assist in test design but will need to be validated and potentially reevaluated. The planned testing will be adjusted to reflect as-built conditions and measured system limitations. Dimensional analyses indicate that the anticipated ranges of relevant dimensionless groups (Reynolds, Modified Rayleigh, and Nusselt numbers) bracket or closely approach prototypic values for both the aboveground and belowground configurations. While designed to match prototypic values, the expected test matrix will include values that exceed currently acceptable values for decay heat, internal helium pressure, and peak cladding temperatures in order to gain more insight into the underlying behavior of the system. (authors)

42 ENGINEERING↗

DOE OSTI2017

Thermal-Hydraulic Results for the Aboveground Configuration of a Dry Cask Simulator

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Computational Tools and Workflows for Quantitative Risk Assessment and Decision Support for Geologic Carbon Storage Sites: Progress and Insights from the U.S. DOE’s National Risk Assessment Partnership

The 2005 Intergovernmental Panel on Climate Change (IPCC) Special Report on CCS raised the profile of CO2 capture and storage (CCS) as an important technology for reducing greenhouse gas (GHG) emissions. CCS is now recognized as a key component of most climate change mitigation scenarios. Since publication of that report the international research, development, and deployment (RD&D) community has advanced key technical aspects, clarified regulatory requirements, explored value chain and infrastructure solutions, and developed incentive paradigms to enable and promote large-scale deployment of CCS. These efforts have included research to better characterize geologic storage resources, to improve injection performance and storage efficiency, to assess and manage subsurface environmental risks, and to advance monitoring technologies to assure system conformance. These efforts have helped to build confidence in the viability of geologic carbon storage (GCS), but stakeholder concerns about long-term risks and liability associated with GCS remain a hurdle to broad acceptance and large-scale deployment of CCS. Since 2010, the U.S. DOE’s National Risk Assessment Partnership (NRAP) – a research collaboration between five contributing national laboratories – has worked to establish and demonstrate methods and tools to quantify and manage the subsurface environmental risks associated with GCS, amidst uncertainty. This work supports the Office of Fossil Energy and Carbon Management Carbon Transport and Storage Program’s goal of advancing safe and secure commercial-scale GCS deployment. To address the technical challenge of simulating the physical response of the GCS site to large-scale CO2 injection, NRAP has adopted an approach that relies on coupling computationally efficient reduced-order and/or data-driven proxy models of important system components (i.e., storage reservoir, sealing caprock, leakage pathways, intermediate formations, overlying groundwater aquifers, and the atmosphere) in integrated assessment framework. That integrated model of the physical system is complemented with fit-for purpose functionality to support site characterization and risk-related decisions. The recently released NRAP Phase II toolset includes the Open-Source Integrated Assessment Model (NRAP-Open-IAM) for evaluation of trends in leakage risk and potential impact, tools to support monitoring design optimization (Designs for Risk Evaluation and Management – DREAM v3.0 and Passive Seismic Monitoring Tool - PSMT), and tools for state of stress evaluation (State-of-Stress Analysis Tool - SOSAT) and forecasting induced seismicity risk. The NRAP team has also released a pair of reports describing conceptual workflows to incorporate physics-based, quantitative risk assessment into many of the design, planning, operation, and closure decisions for GCS projects. An online catalogue highlights published studies where these tools and methods are demonstrated. In this presentation, the utility of these products to assess risks and address key stakeholder questions will be highlighted through examples, and related insights about the safety and security of geologic carbon storage in qualified storage sites will be discussed. The prospect of rapid, large-scale deployment of GCS technology to aggressively reduce anthropogenic CO2 emissions requires careful consideration of interference between multiple commercial-scale storage projects within a basin. Going forward, NRAP is expanding and adapting site-scale risk quantification tools and methods to enable assessment of risks and inform management decisions for basin-scale deployment. Increasingly, this work will leverage next-generation approaches for surrogate modelling, fast prediction, and advanced visualization enabled by machine learning and artificial intelligence to promote virtual learning, scenario evaluation, and augment risk-based decision making.

quantitative risk assessment, geologic carbon stor↗

DOE OSTI2015

Pathways for Ethanol Dehydrogenation and Dehydration Catalyzed by Ceria (111) and (100) Surfaces

We have performed computations to better understand how surface structure affects selectivity in dehydrogenation and dehydration reactions of alcohols. Ethanol reactions on the (111) and (100) ceria surfaces were studied starting from the dominant surface species, ethoxy. We used DFT (PBE+U) to explore reaction pathways leading to ethylene and acetaldehyde and calculated estimates of rate constants employing transition state theory. To assess pathway contributions, we carried out kinetic analysis. Our results show that intermediate and transition state structures are stabilized on the (100) surface compared to the (111) surface. Formation of acetaldehyde over ethylene is kinetically and thermodynamically preferred on both surfaces. Our results are consistent with temperature programmed surface reaction and steady-state experiments, where acetaldehyde was found as the main product and evidence was presented that ethylene formation at higher temperature originates from changes in adsorbate and surface structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Results for the Aboveground Configuration of the Boiling Water Reactor Dry Cask Simulator

The thermal performance of commercial nuclear spent fuel dry storage casks are evaluated through detailed numerical analysis. These modeling efforts are completed by the vendor to demonstrate performance and regulatory compliance. The calculations are then independently verified by the Nuclear Regulatory Commission (NRC). Carefully measured data sets generated from testing of full sized casks or smaller cask analogs are widely recognized as vital for validating these models. Recent advances in dry storage cask designs have significantly increased the maximum thermal load allowed in a cask in part by increasing the efficiency of internal conduction pathways and also by increasing the internal convection through greater canister helium pressure. These same canistered cask systems rely on ventilation between the canister and the overpack to convect heat away from the canister to the environment for both above and belowground configurations. While several testing programs have been previously conducted, these earlier validation attempts did not capture the effects of elevated helium pressures or accurately portray the external convection of aboveground and belowground canistered dry cask systems. The purpose of the current investigation was to produce data sets that can be used to test the validity of the assumptions associated with the calculations used to determine steady-state cladding temperatures in modern dry casks that utilize elevated helium pressure in the sealed canister in an aboveground configuration. An existing electrically heated but otherwise prototypic BWR Incoloy-clad test assembly was deployed inside of a representative storage basket and cylindrical pressure vessel that represents a vertical canister system. The symmetric single assembly geometry with well-controlled boundary conditions simplifies interpretation of results. The arrangement of ducting was used to mimic conditions for an aboveground storage configuration in a vertical, dry cask systems with canisters. Transverse and axial temperature profiles were measured for a wide range of decay power and helium cask pressures. Of particular interest was the evaluation of the effect of increased helium pressure on peak cladding temperatures (PCTs) for identical thermal loads. All steady state peak temperatures and induced flow rates increased with increasing assembly power. Peak cladding temperatures decreased with increasing internal helium pressure for a given assembly power, indicating increased internal convection. In addition, the location of the PCT moved from near the top of the assembly to ~1/3 the height of the assembly for the highest (8 bar absolute) to the lowest (0 bar absolute) pressure studied, respectively. This shift in PCT location is consistent with the varying contribution of convective heat transfer proportional with of internal helium pressure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

Design and Synthesis of Materials with High Capacities for Hydrogen Physisorption

Slit pore or planar geometries are the optimal morphology for adsorbents. Our initial effort was to explore single layer graphene as the ideal platform for adsorbents. As literature processes for graphene synthesis proved unreliable in generating structures of relevance, we concentrated our efforts on metal functionalization in order to enhance the normally modest 4-6 kJ/mole typical of carbons. The results of interest through this effort are the 32-36 g/l volume densities projected for 100 bar pressure for Cu modified material at 77K. Modest material compression would improve these values to densities comparable to 700 bar compressed gas tanks. Thermal Program Desorption (TPD) results from the same metal modified material showed hydrogen release over two temperature ranges. The initial range is 100 to 190 K from normally physisorbed gas while chemisorbed hydrogen from the Cu surface showed desorption starting at 300 K. This work suggests a pathway toward higher temperature utility based on both physisorption and chemisorption phenomena. Chemisorption was validated by observing isotope exchange with deuterium.

08 HYDROGEN↗

DOE OSTI2025

An Approach to Automate tools for the Risk Assessment of Digital Instrumentation and Control Systems

Reliable digital instrumentation and control systems (DI&C) are integral for sustaining the continued operation of nuclear power plants. These systems ensure that nuclear reactors operate safely, efficiently, and within regulatory requirements. Yet, the cost of designing and licensing new nuclear DI&C can be prohibitively expensive. Under the U.S. Department of Energy Light Water Reactor Sustainability Program, Idaho National Laboratory has developed a framework for supporting the risk-informed design of DI&C systems by offering methods to support the identification, quantification, and evaluation of risks for various DI&C design architectures. The framework indicates potential software failure modes and provides pathways for quantifying the potential for these software failures, including common cause failures. Using the framework’s systematic approach, challenges for assessing risks within new and existing nuclear DI&C systems can be reduced. Nevertheless, the current framework can be further improved using the convenience of automation. This paper introduces the development of Software for the Hazard Identification and Evaluation of Digital Systems (SHIELDS). SHIELDS is an engineering software package that enables the identification, elimination, and mitigation of potential risks and reduces the burden of deploying reliable DI&C systems. This work introduces plans and techniques to digitize and improve the manual risk assessment modules of the framework. These improvements will save time and increase the repeatability and usability of the framework, making it more accessible to a wider range of users. Ultimately, this introduces SHIELDS and how its modules support efficient development of safe and reliable DI&C systems.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2016

WE-H-BRA-07: Mechanistic Modelling of the Relative Biological Effectiveness of Heavy Charged Particles

Purpose Uncertainty in the Relative Biological Effectiveness (RBE) of heavy charged particles compared to photons remains one of the major uncertainties in particle therapy. As RBEs depend strongly on clinical variables such as tissue type, dose, and radiation quality, more accurate individualised models are needed to fully optimise treatments. MethodsWe have developed a model of DNA damage and repair following X-ray irradiation in a number of settings, incorporating mechanistic descriptions of DNA repair pathways, geometric effects on DNA repair, cell cycle effects and cell death. Our model has previously been shown to accurately predict a range of biological endpoints including chromosome aberrations, mutations, and cell death. This model was combined with nanodosimetric models of individual ion tracks to calculate the additional probability of lethal damage forming within a single track. These lethal damage probabilities can be used to predict survival and RBE for cells irradiated with ions of different Linear Energy Transfer (LET). ResultsBy combining the X-ray response model with nanodosimetry information, predictions of RBE can be made without cell-line specific fitting. The model’s RBE predictions were found to agree well with empirical proton RBE models (Mean absolute difference between models of 1.9% and 1.8% for cells with α/β ratios of 9 and 1.4, respectively, for LETs between 0 and 15 keV/µm). The model also accurately recovers the impact of high-LET carbon ion exposures, showing both the reduced efficacy of ions at extremely high LET, as well as the impact of defects in non-homologous end joining on RBE values in Chinese Hamster Ovary cells.ConclusionOur model is predicts RBE without the inclusion of empirical LET fitting parameters for a range of experimental conditions. This approach has the potential to deliver improved personalisation of particle therapy, with future developments allowing for the calculation of individualised RBEs. SJM is supported by a Marie Curie International Outgoing Fellowship from the European Commission’s FP7 program (EC FP7 MC-IOF-623630)

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Surface acetone reactions on ZnxZryOz: A DRIFTS-MS study

We report a systematic DRIFTS-MS study of surface acetone aldolization and self-deoxygenation reactions on ZrO2 and Zn1Zr10Oz, using temperature programmed surface reactions of both acetone reactant and possible intermediate compounds including diacetone alcohol, mesityl oxide, phorone, and isophorone. DRIFTS was used to monitor the evolution of surface species while MS was used to track corresponding gas phase products, in an attempt to identify the distinct reaction pathways observed on the two catalysts as well as the role zinc plays in the corresponding reaction pathways. It is found that aldol condensation (or aldolization) of acetone occurs readily at low temperature (298?K), forming mainly acetone dimers (i.e., diacetone alcohol, DAA/mesityl oxide, MSO) on both ZrO2 and Zn1Zr10Oz with the latter being more active. At elevated temperatures, secondary MSO reactions are diverted, mainly caused by the different Lewis basicity on the two catalysts. Over ZrO2, MSO reacts with activated acetone (acetone enolate) to form a surface 4,4-dimethyl-2,6-heptadione (phorone-C), which is further converted into a stable isophorone intermediate. At temperatures above 473?K, polymerization/oligomerization of isophorone along with basic hydroxyl promoted decomposition reactions occur, leading to the formation of heavier carbonaceous surface species and gas-phase side products (methane and CO2). The addition of zinc balances the surface acid-base properties on ZnxZryOz (i.e., Zn1Zr10Oz) via not only enhancing the surface Lewis basicity but passivating the strong acidity. This balance, especially the enhanced surface Lewis basicity largely promotes the a-H abstraction of MSO to form MSO enolate on the Zn1Zr10Oz, which thus favors the aldolization of MSO enolate and acetone, a reaction tends to form 2,6-dimethyl-2,5-heptadien-4-one (phorone-A). Phorone-A then readily decomposes to produce isobutene as a major product at temperature as low as 373?K. Note that, despite the facile formation of isobutene at low temperatures, a high temperature (673?K) is still necessary to release the strongly adsorbed formate/carbonate/acetate species via CO2 formation.

Li, Houqian↗