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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.

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At least 325 records · Page 18

Particle size effect and the mechanism of hematite reduction by the outer membrane cytochrome OmcA of Shewanella oneidensis MR-1

The cycling of iron at the Earth’s near surface is profoundly influenced by dissimilatory metal reducing microorganisms, and many studies have focused on unraveling electron transfer mechanisms between these bacteria and Fe(III)-(oxyhydr)oxides. However, these efforts have been complicated by the fact that these minerals often occur in the micro- to nanosize regime, and in relevant natural environments as well as in the laboratory are subject to aggregation. The nature of the physical interface between the cellular envelope, the outer-membrane cytochromes responsible for facilitating the interfacial electron transfer step, and these complex mineral particulates is thus difficult to probe. Previous studies using whole cells have reported reduction rates that do not correlate with particle size. In the present study we isolate the interaction between the decaheme outer-membrane cytochrome OmcA of Shewanella oneidensis and nanoparticulate hematite, examining the reduction rate as a function of particle size and reaction products through detailed characterization of the electron balance and the structure and valence of iron at particle surfaces. By comparison with abiotic reduction via the smaller molecule ascorbic acid, we show that the reduction rate is systematically controlled by the sterically accessible interfacial contact area between OmcA and hematite in particle aggregates; rates increase once pore throat sizes in aggregates become as large as OmcA. Simultaneous measure of OmcA oxidation against Fe(II) release shows a ratio of 1:10, consistent with a cascade OmcA oxidation mechanism heme by heme. X-ray absorption spectroscopies reveal incipient magnetite on the reacted surfaces of the hematite nanoparticles after reaction. The collective findings establish the importance of accessibility of physical contact between the terminal reductases and iron oxide surfaces, and through apparent consistency of observations help reconcile behavior reported at the larger more complex scale of whole cell studies.

58 GEOSCIENCES↗

Evaluation of Nanoscale Accessible Pore Structures for Improved Prediction of Gas Production Potential in Chinese Marine Shales

The Lower Cambrian Niutitang and Lower Silurian Longmaxi shales in the Upper Yangtze Platform (UYP) are the most promising strata for shale gas exploration in China. Knowledge of the nanoscale pore structure may improve the prediction of the gas production potential in Chinese marine shales. A systematic investigation of the pore accessibility and its impact on methane adsorption capacity has been conducted on shale samples using various techniques including geochemical and mineralogical analyses, field-emission scanning electron microscopy (FE-SEM), small-angle neutron scattering (SANS), helium porosimetry, and methane adsorption. The results show that organic matter (OM) pores with various shapes dominate the pore systems of these shales. OM tended to mix with clay minerals and converted to organoclay complexes, developing plentiful micro- and mesopores. A unified fit model with two pore structures, fractal pores and finite pores, was used to model the SANS data to characterize the pore structure of the shales. Both mass and surface fractals are identified for each pore structure. The total porosity estimated by the Porod invariant method ranges between 2.35 and 16.40%, of which the porosity for finite pores ranges between 0.35 and 6.36%, and the porosity for the fractal pores ranges between 2.07 and 8.51%. The fraction of open pores was evaluated by comparing the porosities estimated by He porosimetry and SANS. We find that the fraction of open pores is higher than 64% for most of these shales. Correlation analyses suggest that clay and total organic carbon (TOC) have opposite effects on pore structure and methane adsorption capacity. Samples with higher clay contents have higher pore accessibility and lower total porosity, surface area, and maximum methane adsorption, whereas samples with higher TOC content show the inverse relationships. The high percentage of open pores may reduce methane adsorption capacity in these shales, whereas low pore accessibility may reduce methane production at specific pressure differences. Furthermore, both TOC and pore accessibility may be essential controlling factors in methane production from shale gas reservoirs.

03 NATURAL GAS↗

Correlation-based network analysis combined with machine learning techniques highlight the role of the GABA shunt in Brachypodium sylvaticum freezing tolerance

Perennial grasses will account for approximately 16 billion gallons of renewable fuels by the year 2022, contributing significantly to carbon and nitrogen sequestration. However, perennial grasses productivity can be limited by severe freezing conditions in some geographical areas, although these risks could decrease with the advance of climate warming, the possibility of unpredictable early cold events cannot be discarded. We conducted a study on the model perennial grass Brachypodium sylvaticum to investigate the molecular mechanisms that contribute to cold and freezing adaption. The study was performed on two different B. sylvaticum accessions, Ain1 and Osl1, typical to warm and cold climates, respectively. Both accessions were grown under controlled conditions with subsequent cold acclimation followed by freezing stress. For each treatment a set of morphological parameters, transcription, metabolite, and lipid profiles were measured. State-of-the-art algorithms were employed to analyze cross-component relationships. Phenotypic analysis revealed higher adaption of Osl1 to freezing stress. Our analysis highlighted the differential regulation of the TCA cycle and the GABA shunt between Ain1 and Osl1. Osl1 adapted to freezing stress by repressing the GABA shunt activity, avoiding the detrimental reduction in fatty acid biosynthesis and the concomitant detrimental effects on membrane integrity.

54 ENVIRONMENTAL SCIENCES↗

Low-temperature access to active iron and iron/nickel nitrides as potential electrocatalysts for the oxygen evolution reaction

Low-temperature, scalable routes to transition metal nitride (TMN) nanoparticles are desirable for a wide range of applications, yet their synthesis typically requires high temperatures (>350 °C) and reactive gas environments (e.g., NH 3 or H 2 /N 2 ). Here, we report a colloidal synthesis of mono- and bimetallic TMN nanoparticles using preformed metal carbonyl clusters as precursors and urea or diethylenetriamine (DETA) as nitrogen sources. This strategy enables access to size-controlled, phase-pure ε-Fe 3 N x and Fe y Ni 3−y N nanoparticles at temperatures below 300 °C, without the need for flowing reactive gas atmospheres. By systematically varying nitrogen precursor, reaction temperature, and cluster identity, we achieve tunable nitrogen stoichiometry (x) and phase selectivity between N-rich and N-poor TMNs. Structural and magnetic characterization confirms clean decomposition of the precursors and phase formation consistent with controlled nitridation at the nanoscale. Preliminary electrochemical measurements in alkaline media demonstrate that these materials exhibit oxygen evolution reaction (OER) overpotentials comparable to RuO 2 , highlighting their viability for future electrocatalytic applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Transmission in situ and operando high temperature X-ray powder diffraction in variable gaseous environments

In this paper, we describe a device for time-resolved synchrotron-based in situ and operando X-ray powder diffraction measurements at elevated temperatures under controllable gaseous environments. The respective gaseous sample environment is realized via a gas-tight capillary-in-capillary design, where the gas flow is achieved through an open-end 0.5 mm capillary located inside a 0.7 mm capillary filled with a sample powder. Thermal mass flow controllers provide appropriate gas flows and computer-controlled on-the-fly gas mixing capabilities. The capillary system is centered inside an infrared heated, proportional integral differential-controlled capillary furnace allowing access to temperatures up to 1000 °C.

36 MATERIALS SCIENCE↗

Federation of UML models for cyber physical use cases

This method employs the concept of federation, which is defined as the use of existing models that represent aspects of a system in specific domains (such as physical and cyber security domains) and building interfaces to link all of domain models. Federation seeks to build on existing bodies of work. Some examples include the Common Information Models (CIM) maintained by the International Electrotechnical Commission Technical Committee 57 (IEC TC 57) for the electric power industry. Another relevant model is the CIM maintained by the Distributed Management Task Force (DMTF)? this CIM defines a representation of the managed elements in an Information Technology (IT) environment. The power system is an example of a cyber-physical system, where the cyber systems, consisting of computing infrastructure such as networks and devices, play a critical role in the operation of the underlying physical electricity delivery system. Measurements from remote field devices are relayed to control centers through computer networks, and the data is processed to determine suitable control actions. Control decisions are then relayed back to field devices. It has been observed that threat actors may be able to successfully compromise this cyber layer in order to impact power system operation. Therefore, future control center applications must be wary of potentially compromised measurements coming from field devices. In order to ensure the integrity of the field measurements, these applications could make use of compromise indicators from alternate sources of information such as cyber security. Thus, modern control applications may require access to data from sources that are not defined in the local information model. In such cases, software application interfaces will require integration of data objects from cross-domain data models. When incorporating or federating different domains, it is important to have subject matter experts work together, recognizing that not everyone has the same knowledge, responsibilities, focus, or skill set.

Source record↗

Soybean Knowledge Base (SoyKB): a Web Resource for Soybean Translational Genomics

Background: Soybean Knowledge Base (SoyKB) is a comprehensive all-inclusive web resource for soybean translational genomics. SoyKB is designed to handle the management and integration of soybean genomics, transcriptomics, proteomics and metabolomics data along with annotation of gene function and biological pathway. It contains information on four entities, namely genes, microRNAs, metabolites and single nucleotide polymorphisms (SNPs). Methods: SoyKB has many useful tools such as Affymetrix probe ID search, gene family search, multiple gene/ metabolite search supporting co-expression analysis, and protein 3D structure viewer as well as download and upload capacity for experimental data and annotations. It has four tiers of registration, which control different levels of access to public and private data. It allows users of certain levels to share their expertise by adding comments to the data. It has a user-friendly web interface together with genome browser and pathway viewer, which display data in an intuitive manner to the soybean researchers, producers and consumers. Conclusions: SoyKB addresses the increasing need of the soybean research community to have a one-stop-shop functional and translational omics web resource for information retrieval and analysis in a user-friendly way. SoyKB can be publicly accessed at http://soykb.org/.

Environmental Molecular Sciences Laboratory↗

INITIAL STUDIES OF CAVITY FAULT PREDICTION AT JEFFERSON LABORATORY

The Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Laboratory is a CW recirculating linac that utilizes over 400 superconducting radio-frequency (SRF) cavities to accelerate electrons up to 12 GeV through 5-passes. Recent work has shown that, given RF signals from a cavity during a fault as input, machine learning approaches can accurately classify the fault type. In this paper we report on initial results of predicting a fault onset using only data prior to the failure event. A data set was constructed using time-series data immediately before a fault (’unstable’) and 1.5 seconds prior to a fault (’stable’) gathered from over 5,000 saved fault events. The data was used to train a binary classifier. The results gave key insights into the behavior of several fault types and provided motivation to investigate whether data prior to a failure event could also predict the type of fault. We discuss our method using a sliding window approach and report on initial results. Recent modifications to the low-level RF control system will provide access to streaming signals and we outline a path forward for leveraging deep learning on streaming data

Vidyaratne, Lasitha↗

A Review of Technologies that can Provide a 'Root of Trust' for Operational Technologies

The supply chain attack pathway is being increasingly used by adversaries to bypass security controls and gain unauthorized access to sensitive networks and equipment (e.g., Critical Digital Assets). Cyber-attacks targeting supply chain generally aim to compromise the environments, products, or services of vendors and suppliers to inject, add, or substitute authentic software and hardware with malicious elements. These malicious elements are deemed to be authentic as they arise from the vendor or supplier (i.e., the supply chain). This research aims at providing a survey of technologies that have the potential to reduce exposure of sensitive networks and equipment to these attacks, thereby improving tamper resistance. The recent advances in the performance and capabilities of these technologies in recent years has increased their potential applications to reduce or mitigate exposure of the supply chain attack pathway. The focus being on providing an analysis of the benefits and disadvantages of smart cards, secure tokens, and elements to provide root of trust. This analysis provides evidence that these roots of trust can increase the technical capability of equipment and networks to authenticate changes to software and configuration thereby increasing resilience to some supply chain attacks, such as those related to logistics and ICT channels, but not development environment attacks.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Microfabricated Devices and Ion Trapping Capabilities

Next generation ion traps will likely need to support tens if not hundreds of ions in order to achieve several logical qubits. As we scale to those sizes, the same problems we face now – rf dissipation, control I/O, and optical access – will only grow and become more complicated. While many of these challenges can potentially be solved with technology integration, independently researching the feasibility of that integration and other solutions may help reduce the time and risk in scaling up to larger traps, by testing on smaller less complex devices. We should also consider other fabrication techniques that may help scale to larger devices, such as: through-substrate-vias (TSVs), different metal coatings, exotic rf routing, on chip laser sources, or even a secondary macroscopic trap to reload ions from. To have these technologies ready for full scale integration when we need them, ion traps with some of these capabilities need to be produced now. Developing the rigorous fabrication methods for producing reliable traps takes time and experimentation. We propose developing larger ion traps and reliable integrated technology in conjunction to make both available faster.

36 MATERIALS SCIENCE↗

Security Evaluation of Smart Cards and Secure Tokens: Benefits and Drawbacks for Reducing Supply Chain Risks of Nuclear Power Plants

The supply chain attack pathway is being increasingly used by adversaries to bypass security controls and gain unauthorized access to sensitive networks and equipment (e.g., Critical Digital Assets). Cyber-attacks targeting supply chain generally aim to compromise the environments, products, or services of vendors and suppliers to inject, add, or substitute authentic software and hardware with malicious elements. These malicious elements are deemed to be authentic as they arise from the vendor or supplier (i.e., the supply chain). This research aims to leverage findings and assumptions made from the previous report to determine the security benefits and drawbacks of a smart card- based hardware root of trust. Smart cards can provide devices inside Nuclear Power Plants (NPP) with a secure environment to store keys in and perform sensitive operations such as digital signature generation. These abilities can be leveraged to increase supply chain cybersecurity by autonomously providing NPP Licensees with reports on device integrity, authenticity and measurements of executable and non-executable data.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

INITIAL STUDIES OF CAVITY FAULT PREDICTION AT JEFFERSON LABORATORY

The Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Laboratory is a CW recirculating linac that utilizes over 400 superconducting radio-frequency (SRF) cavities to accelerate electrons up to 12 GeV through 5-passes. Recent work has shown that, given RF signals from a cavity during a fault as input, machine learning approaches can accurately classify the fault type. In this paper we report on initial results of predicting a fault onset using only data prior to the failure event. A data set was constructed using time-series data immediately before a fault (’unstable’) and 1.5 seconds prior to a fault (’stable’) gathered from over 5,000 saved fault events. The data was used to train a binary classifier. The results gave key insights into the behavior of several fault types and provided motivation to investigate whether data prior to a failure event could also predict the type of fault. We discuss our method using a sliding window approach and report on initial results. Recent modifications to the low-level RF control system will provide access to streaming signals and we outline a path forward for leveraging deep learning on streaming data

Vidyaratne, Lasitha↗

MARVEL Utilization Plan

This report provides a high-level overview of the utilization plan for the MARVEL microreactor. The main focus is on discussing testing and application-demonstration opportunities that leverage the reactor. With the reactor rapidly progressing towards demonstration, along with the short (2- year) operational window, it was deemed critical to establish a basis for how stakeholders can engage with the program and leverage the reactor as a testbed. This report discusses potential opportunities to use MARVEL, leveraging from data and design access to testing novel controls, and novel nuclear-electric and nuclear-heat applications. It provides guidance for interested stakeholders on potential funding opportunities that can be pursued to support tests during the operational lifetime of the reactor. The report discusses the recommended strategy for outreach and the organizational structure to review and select projects for participation. Interested stakeholders are encouraged to fill out a questionnaire on how they could leverage MAVEL at this link: https://qfreeaccountssjc1.az1.qualtrics.com/jfe/form/SV_72InKjSEz54Q2j4 It is important to emphasize that this is intended to be a living document (updated annually or as needed) with revisions issued as the MARVEL demonstration timeline evolves. Similarly, the framework for engagement is subject to change as the project progresses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Characterization and monitoring of subsurface processes using parallel computing and electrical resistivity imaging

This newsletter discusses recent advancement in subsurface resistivity characterization and monitoring capabilities. The BC Cribs field desiccation treatability test resistivity monitoring data is use an example to demonstrate near-real time 3D subsurface imaging capabilities. Electrical resistivity tomography (ERT) is a method of imaging the electrical resistivity distribution of the subsurface. An ERT data collection system consists of an array of electrodes, deployed on the ground surface or within boreholes, that are connected to a control unit which can access each electrode independently (Figure 1). A single measurement is collected by injecting current across a pair of current injection electrodes (source and sink), and measuring the resulting potential generated across a pair of potential measurement electrodes (positive and negative). An ERT data set is generated by collecting many such measurements using strategically selected current and potential electrode pairs. This data set is then processed using an inversion algorithm, which reconstructs an estimate (or image) of the electrical conductivity (i.e. the inverse of resistivity) distribution that gave rise to the measured data.

99 GENERAL AND MISCELLANEOUS↗

Long-Term Surveillance and Maintenance Records: Maintaining Access to the Knowledge - 13122

The U.S. Department of Energy (DOE) Office of Legacy Management (LM) is an integral part of DOE's strategy to ensure that legacy liabilities of former nuclear weapons production sites are properly managed following the completion of environmental cleanup activities. In the area of environmental legacy management, records management is crucial to the protection of health, environmental, and legal interests of the Department and the public. LM is responsible for maintaining long-term surveillance and maintenance (LTS and M) records in performance of its mission. Maintaining access to the knowledge contained in these record collections is one of LM's primary responsibilities. To fulfill this responsibility, LM established a consolidated records management facility, the LM Business Center (LMBC), to house physical media records and electronic records. A new electronic record keeping system (ERKS) was needed to replace an obsolete system while helping to ensure LM is able to meet ongoing responsibilities to maintain access to knowledge and control the life cycle management of records. (authors)

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

NORM Concentration Determination in Common Materials in an Urban Environment

The United States government performs searches for illicit radiation sources before and during large special events, such as State of the Union addresses, presidential inaugurations, or the recent papal visit. Clear detection of sources is difficult due to natural background radiation, which can vary greatly throughout a given search area. Background radiation is mostly a function of the materials used in roadways, sidewalks, and building exteriors. A team of scientists from Oak Ridge National Laboratory (ORNL), Lawrence Livermore National Laboratory (LLNL), the Remote Sensing Laboratory (RSL), and Lawrence Berkeley National Laboratory (LBNL) is exploring the nature and variability of background count rates in order to improve the performance of searches in urban areas. A series of background measurements have been and will continue to be taken at a Military Operations on Urban Terrain (MOUT) environment at the Fort Indiantown Gap (FTIG) National Guard training facility in Pennsylvania. This site replicates a small town with asphalt roads, concrete intersections, buildings, sidewalks, curbs, and gravel parking areas. Unlike an actual urban area, traffic and pedestrian access can be easily controlled to avoid interference with measurements. This paper documents the efforts focused on characterizing the various concentrations of radioactive material found in these materials at the site. The NORM concentrations determined from this work will be incorporated in to a large-scale simulation (a 'virtual test-bed') that can be used to investigate various search techniques and algorithms, detector suite configurations, and to produce representative synthetic data for future work. A combination of measurement and simulation was used to determine the concentration of {sup 40}K and the radioactive nuclides in the uranium series and the thorium series in several materials at the FTIG MOUT site. The predicted concentrations are consistent with other published results, and they matched favorably with synthetic data generated with MCNP6 models using the determined NORM concentrations and estimates of the FTIG environment as described by available construction plans and using standard material assumptions. Future measurements will incorporate lessons learned from this study. More measurements will be made of the concrete intersections at the site. The methodology explained in this report will also be carried out on building materials in an effort to characterize NORM concentrations in these background sources. Other modeling and simulation work that should be conducted includes a robust sensitivity analysis in which the effects of small changes to the model (and measurement) system can be characterized to help bound the uncertainty on the final NORM concentration predictions. (authors)

54 ENVIRONMENTAL SCIENCES↗

Sustainable Transactions - The Fine Art of the Forever Deal - 19569

The U.S. Department of Energy Office of Legacy Management (LM) has various real property interests at the 92 sites within its current portfolio. Because of its unique mission, LM does not own most of the sites for which it has responsibility for long-term surveillance and maintenance (LTS and M). In addition to the sites it does own, LM works with various federal, state, local, and private entities to execute its obligations. Each site has its own narrative with respect to the real property assets: how they were acquired, how they are sustained, and how they were or will be dispositioned. Since the regulatory time frame for LTS and M activities at some sites can be in perpetuity, durable and effective instruments and documentation are necessary to support LM's mission as a federal land manager and steward. In addition, more than half of the sites currently in LM's inventory do not allow unrestricted use because of residual contamination from historical activities, and institutional controls are required to limit human and environmental exposures to residual contamination by controlling land use, restricting access to potential hazards, and making the public aware of potential dangers from the residual contamination. Thus, the overall real property interests and transactions associated with these sites not only have to address the environmental concerns associated with protection of human health and the environment but also how best to position LM's real property assets to support the mission for future generations. These types of transactions are often complex, requiring the negotiation of numerous documents to achieve and sustain protection of human health and the environment while allowing for future use. Such planning needs to be flexible enough to envision that the original transaction will likely change over time due to changing regulations, communities, stakeholders, and site conditions as operation and maintenance activities are performed. Planning for the integration of these requirements with the needs of the end users, stakeholders, and communities is paramount to a successful project, and various transactional considerations impact how best to achieve this goal. As such, these transactions have to be sustainable. Real property interests change over time, with new owners, operators, regulators, and stakeholders. Determining the sustainability of these real property interests, therefore, calculates the sustainability of each asset's physical attributes and also the sustainability of the various legal instruments and arrangements that are put in place at each site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Conflict Detection in Open RAN with Recurrent Neural Networks Using Geometric Manifolds

Allowing third-party applications on Radio Access Network (RAN) Intelligent Controllers (RICs) within the OpenRAN (O-RAN) framework introduces conflicting interactions that are often difficult to detect in advance. These conflicts, occurring between third-party applications in the Near RealTime RIC (Near-RT RIC), known as xApps, can lead to performance degradation and instability in O-RAN if not identified early. Existing conflict detection and mitigation solutions in the literature assume that the conflicts are known beforehand, which is not always accurate due to the complex and often hidden relationships between control parameters and Key Performance Indicators (KPIs). In this paper, we propose a novel Recurrent Neural Network (RNN) to detect both known and unknown conflicts in O-RAN xApps as specified in the O-RAN standards. We model the xApps, control parameters, and KPIs with nodes and edges to create graph structures and use the hidden nonEuclidean geometric properties of the Riemannian manifold to train the RNN model. The performance of this proposed model is validated using evaluation metrics and compared with benchmarks. Results demonstrate that the proposed RNN model, leveraging Riemannian geometric properties, can achieve 100% of the F1-score provided by an optimal solution in just 20 iterations.

5G↗