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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 613 records · Page 34

Performance, emissions, and physical characteristics of a rotating combustion aircraft engine, supplement A

Testing was conducted using the basic RC2-75 engine, to which several modifications were incorporated which were designed to reduce the hydrocarbon emissions and reduce the specific fuel consumption. The modifications included close-in surface gap spark plugs, increased compression ratio rotors, and provisions for utilizing either side or peripheral intake ports, or a combination of the two if required. The proposed EPA emissions requirements were met using the normal peripheral porting. The specific fuel economy demonstrated for the modified RC2-75 was 283 g/kW-hr at 75% power and 101 brake mean effective pressure (BMEP) and 272.5 g/kW-hr at 75% power and 111 BMEP. The latter would result from rating the engine for takeoff at 285 hp and 5500 rpm, instead of 6000 rpm.

Lamping, R. K.↗

Life Cycle Inventories and Data Gap Analysis for Rare Earth Elements: Neodymium and Dysprosium from Mining to Magnets

The United States demand for Neodymium-Iron-Boron (NdFeB) magnets, produced from rare earth elements (REEs) such as (Nd) and Dysprosium (Dy), far exceeds its nascent domestic production capacity, rendering it reliant on vulnerable global supply chains dominated by China. To guide research and development investments in securing U.S. REE supply, defensible benchmark metrics across environmental, economic, and social dimensions are needed. In this study, we built globally-representative, process-based cradle-to-cradle life cycle inventories for Nd and Dy in NdFeB magnets lifecycles, encompassing primary material acquisition, beneficiation, smelting and refining, metal processing, specialty alloy and chemical transformation, subcomponent manufacturing, consumer application (use phase) and end-of-life management. We carried out detailed literature review, and applied process engineering principles to build industry-representative upscaled life cycle inventories for both metals. We used these models to conduct bottom-up literature review and gap analysis on existing literature, compilation of data sources for each life cycle stage (and transformations where necessary), and a preliminary technoeconomic analysis (TEA)/life cycle costing analysis (LCCA). Findings from this work emphasize the need for metal specific, representative REE LCIs to establish robust benchmarks for advancing sustainable REE technologies and guiding R&D in REE supply chains.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Nanoscale View of Engineered Massive Dirac Quasiparticles in Lithographic Superstructures

Massive Dirac fermions are low-energy electronic excitations characterized by a hyperbolic band dispersion. They play a central role in several emerging physical phenomena such as topological phase transitions, anomalous Hall effects, and superconductivity. This work demonstrates that massive Dirac fermions can be controllably induced by lithographically patterning superstructures of nanoscale holes in a graphene device. Their band dispersion is systematically visualized using angle-resolved photoemission spectroscopy with nanoscale spatial resolution. A linear scaling of effective mass with feature sizes is reported, underlining the Dirac nature of the superstructures. In situ electrostatic doping dramatically enhances the effective hole mass and leads to the direct observation of an electronic band gap that results in a peak-to-peak band separation of 0.64 ± 0.03 eV, which is shown via first-principles calculations to be strongly renormalized by carrier-induced screening. The methodology demonstrates band structure engineering guided by directly viewing structurally and electrically tunable massive Dirac quasiparticles in lithographic superstructures at the nanoscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Innovations in Building Energy Modeling: Research and Development Opportunities for Emerging Technologies

Building energy modeling (BEM) is a multipurpose tool for building energy efficiency (EE). The U.S. Department of Energy Building Technologies Office (BTO) seeks to expand the use and effectiveness of BEM in the design and operation of commercial and residential buildings with the goal of achieving lasting reductions in total and peak energy use. This report identifies gaps and outlines recommended initiatives to achieve this goal, based on a combination of technical analysis and stakeholder input. In addition to BTO, this report can benefit BEM professionals (architects, mechanical engineers, energy consultants, building auditors, equipment manufacturers, and BEM software vendors) and BEM clients (building owners and operators, EE program administrators, EE service providers, policymakers, and policy and code jurisdictions such as states and cities). This report was developed in two phases. In the first, BTO worked with a team from Navigant Consulting (now Guidehouse) to characterize objectives, opportunities, and current activities; identify gaps and barriers; and define initiatives. To collect input, Navigant conducted telephone interviews and workshops with industry experts. The initial phase produced a draft report, which was released for public review in 2016 and yielded over 400 comments. Based on these comments, BTO compiled a second draft report that addressed many of those comments while acknowledging changes that had occurred both at BTO and in the industry. Unlike the first draft report, the second focused much more heavily on BTO’s own role, portfolio, and activities. BTO is a direct player in the BEM field - it funds the development of several significant software packages that are embedded in commercial products - and transparency about its goals and future plans is requisite. BTO recognizes that a great number of other public and private organizations contribute to the BEM enterprise. With the second draft report, BTO did not attempt to produce a blueprint for the industry as a whole, but rather a working document BTO can use to iteratively solicit stakeholder input and synthesize it into a program. BTO released the second draft report for public review in 2019. The second round of review generated 83 pages of feedback and comments - almost exactly the length of the draft report itself - a significant portion of which was collected and synthesized by IBPSA-USA Advocacy Committee. This final report incorporates this feedback. This report does not address the use of BEM in support of building-based grid services, a recent BTO initiative called Grid-interactive Efficient Buildings (GEB). In 2019, BTO published a report that specifically addresses the role of BEM - and other “integration” technologies - in GEB.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A roadmap to understanding and anticipating microbial gene transfer in soil communities

Engineered microbes are being programmed using synthetic DNA for applications in soil to overcome global challenges related to climate change, energy, food security, and pollution. However, we cannot yet predict gene transfer processes in soil to assess the frequency of unintentional transfer of engineered DNA to environmental microbes when applying synthetic biology technologies at scale. This challenge exists because of the complex and heterogeneous characteristics of soils, which contribute to the fitness and transport of cells and the exchange of genetic material within communities. Here, we describe knowledge gaps about gene transfer across soil microbiomes. Here, we propose strategies to improve our understanding of gene transfer across soil communities, highlight the need to benchmark the performance of biocontainment measures in situ, and discuss responsibly engaging community stakeholders. We highlight opportunities to address knowledge gaps, such as creating a set of soil standards for studying gene transfer across diverse soil types and measuring gene transfer host range across microbiomes using emerging technologies. By comparing gene transfer rates, host range, and persistence of engineered microbes across different soils, we posit that community-scale, environment-specific models can be built that anticipate biotechnology risks. Such studies will enable the design of safer biotechnologies that allow us to realize the benefits of synthetic biology and mitigate risks associated with the release of such technologies.

bioccontainment↗

Interparticle Characterization of Mechanical Biomass Particle-Particle and Particle-Wall Interactions

The biomass materials industry faces significant challenges in managing material variability and its impact on storage and handling systems. Physical properties such as moisture content, particle size, and density fluctuate considerably, leading to operational issues like bridging and ratholing that disrupt material flow. These variations create a complex cascade effect throughout the process chain, affecting transportation, storage, and conversion processes. The economic consequences of this variability manifest in increased operational costs, maintenance requirements, and system downtime. Environmental factors further complicate the situation, as weather conditions and seasonal availability influence material properties and system performance. Engineers employ specialized equipment design, material characterization protocols, and pre-processing steps like size reduction and homogenization to address these challenges. A critical knowledge gap exists between continuous-level constitutive models and particle-scale behavior. This project developed a novel device to quantify interparticle mechanics between biomass particles, measuring friction and adhesion forces between particles and wall materials. The research focused on corn stover and southern pine forest residue, creating a comprehensive database of particle interactions. This breakthrough enables direct application in particle-based computational modeling, advancing the field's understanding of biomass handling characteristics and supporting the development of more reliable and efficient storage and handling systems. The project's outcomes contribute significantly to understanding biomass's mechanical and flow characteristics, particularly how variability at the particle level affects larger-scale handling operations. This knowledge is crucial for engineering feedstock supply systems that consistently meet quality and cost specifications for various conversion processes. The innovative experimental setup developed through this research represents a significant advancement in biomass characterization methodology. Providing precise measurements of particle-level interactions establishes a foundation for more accurate predictive modeling of bulk material behavior. This enhanced understanding of fundamental particle mechanics enables engineers to anticipate better and address handling challenges before they manifest in full-scale operations. This research opens new avenues for optimizing biomass handling systems through data-driven design approaches. The comprehensive database of particle interactions serves as a valuable resource for future research and development efforts, potentially leading to more efficient and cost-effective biomass processing solutions. This advancement in particle-level mechanics could revolutionize how biomass handling systems are designed and operated, contributing to more sustainable and reliable renewable energy production.

09 BIOMASS FUELS↗

IER 296 Experiment- Thermal Feasibility Analysis [Slides]

This set of slides summarizes progress, highlights, and issues related to the LANL design engineering effort for the IER 296 critical experiment. The experiment configuration described in Section 5.1.1 of CED-1 IRSN Preliminary Design for Thermal/Epithermal Experiments with MOX FUEL (TEX-MOX) is re-examined in a finite element analysis model using design geometry utilized in the Chlorine Worth Study (CWS) Experiments. Preliminary results and design considerations are presented. Additional analysis has been performed based on comments from the collaborative virtual meeting on 12JAN2023. Specifically, the fuel cladding and gas gap have been included in the thermal analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A critical review on questionnaire surveys in the field of energy-related occupant behaviour

Occupants perform various actions to satisfy their physical and non-physical needs in buildings. These actions greatly affect building operations and thus energy use. Clearly understanding and accurately modelling occupant behaviour in buildings are crucial to guide energy-efficient building design and operation, and to reduce the gap between design and actual energy performance of buildings. To study and understand occupant behaviour, a cross-sectional questionnaire survey is one of the most useful tools to gain insights on general behaviour patterns and drivers, and to find connections between human, social and local comfort parameters. In this study, 33 projects were reviewed from the energy-related occupant behaviour research literature that employed cross-sectional surveys or interviews for data collection from the perspective of findings, limitations and methodological challenges. This research shows that future surveys are needed to bridge the gaps in literature but they would need to encompass a multidisciplinary approach to do so as until now only environmental and engineering factors were considered in these studies. Insights from social practice theories and techniques must be acquired to deploy robust and unbiased questionnaire results, which will provide new, more comprehensive knowledge in the field, and therefore occupant behaviour could be better understood and represented in building performance simulation to support design and operation of low or net-zero energy buildings.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Metal hydride composition-derived parameters as machine learning features for material design and H 2 storage

Though hydrogen is a promising energy carrier for a green future, many challenges persist. One is the difficulty in engineering storage solutions, with metal hydrides being a leading contender among solid-state strategies. To facilitate efficient searching of candidate materials, ridge regression, simple decision trees, random forest ensembles, and gradient boosting ensembles were employed to predict the energy of formation, with the random forest ensemble resulting in the lowest test set error. First, two public databases, Materials Project and HydPark, were searched for metal hydrides. Feature engineering was performed before the models were developed, resulting in electronegativity, density, atomic density, d-character, f-character, band gap, hydrogen weight fraction, magnetization, temperature, and pressure being retained. The models were then benchmarked by the lowest test error before a random forest ensemble was used to populate entries missing energy of formation. Furthermore, all were then scored by hydrogen storage capacity and energy of formation suitability. Readily available features including several derived from only the chemical formula which were found to be highly predictive. and so are promising for high-throughput screening of arbitrary novel hydride formulations and blends for thermodynamic feasibility.

25 ENERGY STORAGE↗

A comprehensive review of proppant embedment in shale reservoirs: Experimentation, modeling and future prospects

This paper provides a comprehensive review on the application of proppants to maintain fracture permeability over the lifetime of a well based on published observations from experiments and modeling. The review identifies and describes important processes occurring during proppant embedment, during hydraulic fracturing, laboratory testing of fracture conductivity, proppant embedment and modeling of proppant embedment. Lastly, this paper identifies the challenges and knowledge gaps that also provide future avenues of research and opportunities for collaborative technological development which requires an interdisciplinary approach of science, engineering in academia, government, and private sector.

03 NATURAL GAS↗

Carbon source–driven metabolic and regulatory remodeling defines phenomic states in Lipomyces starkeyi

Lipomyces is a genus of oleaginous yeasts with potential for contributing to reliable biomanufacturing supply chains. However, progress in advanced strain designs and engineering efforts are still constrained by a lack of understanding of the underlying molecular drivers of Lipomyces phenotypes. To address this gap, we collected a suite of multi-omic data to dissect how carbon source availability reshapes the metabolic network, lipid allocation, and regulatory architecture of Lipomyces starkeyi. We observed that glucose promotes biosynthetic and proliferative processes supported by abundant energy and carbon intermediates, xylose enhances redox-balancing mechanisms centered on the pentose phosphate pathway, and glycerol activates respiratory metabolism, ß-oxidation, and the glyoxylate cycle. Lipid species distributions remained consistent in both nitrogen replete and depleted conditions across the carbon sources, indicating robust production mechanisms. Regulatory protein identification and network analysis revealed glycerol-driven respiratory growth favors regulatory programs integrating stress tolerance, redox balance, and lipid-associated metabolism, whereas xylose growth activates compensatory transcriptional responses aimed at maintaining mitochondrial function. Nitrogen limitation modulates the strength of these responses but does not fundamentally alter their direction, reinforcing carbon source as the dominant driver of regulatory architecture. Taken together, this data enhances the understanding of Lipomyces molecular rearrangements and provides a foundation for further development of predictive phenotypic tools in this genus.

Biotechnology↗

Planar turbulent wakes under pressure gradient: Integral and self-similarity analyses

By using a combination of integral and self-similarity analyses, the generalized analytical solutions for the mean transverse velocity and Reynolds shear stress are rigorously derived for the first time for the far field of planar turbulent wakes under arbitrary pressure gradients. Specifically, by assuming self-similarity for the mean axial velocity, the analytical formulation for the mean transverse velocity is obtained from the integral of the mean continuity equation, and the analytical formulation for the Reynolds shear stress is obtained from the integral of the momentum equation. The generalized analytical formulations for the mean transverse velocity and Reynolds shear stress consist of multiple components, each with its unique scale and physical mechanism. In the zero pressure gradient limit, the generalized formulations recover the single-scale equations reported by Wei, Liu, and Livescu. Furthermore, simpler approximate formulations for the mean transverse velocity and Reynolds shear stress are also obtained, and show excellent agreement with the experimental measurements. Here, the findings provide new insights into the properties of planar turbulent wakes under pressure gradients, filling some long-standing gaps in the existing literature.

42 ENGINEERING↗

Multiphase flow and granular mechanics

In this perspective we provide a brief overview of the state of knowledge and recent progress in the area of multiphase flow through deformable granular media. We show, with many examples, that the interplay between viscous, capillary, and frictional forces at the pore scale determines the mode of fluid invasion. We pay particular attention to the central role of wettability on the morphology of granular-pack deformation and failure. Beyond their intrinsic interest as processes that give rise to spectacular pattern formation, these coupled phenomena in granular media can control continental-scale fluxes like methane venting from the seafloor and geohazards like earthquakes and landslides. Finally, we conclude this perspective by pointing to fundamental knowledge gaps and exciting avenues of research.

42 ENGINEERING↗

Voltron Compatible Whole Building Root-Fault Detection and Diagnosis

Buildings consume more than 40% of primary energy in the U.S. Malfunctioning sensors, components, and control systems, as well as degrading components in Heating, Ventilating and Air-conditioning (HVAC) and lighting systems are main reasons for energy waste and unsatisfactory indoor environment. Field studies have shown that an energy saving of 5-30% of total building energy consumption and improved indoor air quality can be achieved by simply applying automated fault detection and diagnosis (AFDD), followed by corrections even if these are not done in real time. Extensive research has been made on the development of component level AFDD tools in the past two decades. However, in recent years, the development of method for a whole building level AFDD has received much attention. Here, a whole building fault refers to a fault happening in one subsystem but impact on more than one subsystems, or has a significant impact on building performances, such as building’s energy consumption. Existing component level AFDD tools could fail to detect or give false alarm for faults that trigger abnormalities in multiple subsystems. Isolating such whole building faults, which have impacts on multiple subsystems, is also challenging by simply using component based AFDD solutions. On the other hand, it might be more cost-effective for medium- or small-sized commercial buildings that have subsystems (e.g. primary cooling subsystem, air loop subsystem, heating subsystem, lighting subsystem, etc.) to install one whole building level AFDD tool, rather than many component level AFDD tools, to focus on significant faults. The focus of this project is firstly to provide training opportunities in building AFDD research area for undergraduate students and to develop a workforce pipeline in building sciences. The objective of the proposed research activities is to develop cost-effective and scalable AFDD solutions for whole building level faults. The developed AFDD solution is VOLTTRONTM compatible to further increase its plug-n-play capacity and the market penetration. VOLTTRONTM is an open-source innovative distributed control and sensing software platform developed by the Pacific Northwest National Laboratory. A VOLTTRONTM compatible AFDD tool brings the benefits such as low-cost deployment, and better building to grid integration, etc. The performance of the developed whole building AFDD tools is evaluated using data collected from a mixed-use medium-sized university campus building. Another significant goal of this project is to engage undergraduate students in research activities and expose them to building control and AFDD fields. A demonstration building – Nesbitt Hall at Drexel University is identified for this study. This demonstration building has a typical HVAC system configuration, which includes a water-cooled chiller system, three variable air volume (VAV) air handling unit (AHU) systems, and a hydronic heating system. Faults, that are expected to have a whole building level impact, are artificially implemented in this demonstration building for three different seasons. Building data have been collected in this project, which include fault free building automation system (BAS) data and BAS data that contain system behaviors caused by artificially implemented and naturally occurred faults. These collected data are used to evaluate the developed whole building AFDD tools. A data-driven method, which includes a weather and schedule-based pattern matching (WPM) method and Feature based Principal Component Analysis (FPCA) method, is developed for whole building level fault detection. Parameter sensitivity tests, including snapshot window size, data sample searching pool size, etc., are implemented to evaluate the impacts of various WPM-FPCA parameters. A data-driven and expert knowledge/rule-based method using Bayesian Network (BN) and WPM is developed for whole building level fault diagnosis. The developed WPM-BN method, which includes a two-layer BN structure model and BN parameters, are either learned from baseline data or developed from expert knowledge. The developed whole building AFDD tools are evaluated using BAS data collected from the demonstration building. Using the evaluation data set, the WPM-FPCA fault detection method is evaluated under two different Principle Component (PC) retention rates, i.e., 0.65 retention rate and 0.95 retention rate. It is observed that when using 0.65 PC retention rate, the WPM-FPCA fault detection method achieves a 79% fault detection rate (this rate reaches to 85% when including the six make-up fault test cases discussed in the next bullet), while when using 0.95 PC retention rate, the WPM-FPCA fault detection method achieves 100% fault detection rate (this rate remains to be 100% when including the six make-up fault test cases). Under both PC retention rates, the WPM-FPCA fault detection method demonstrates 0% false alarm rates. Using the evaluation data set, the developed WPM-BN fault diagnosis method has successfully diagnosed thirteen (13) faults out of the fourteen (14) fault test cases. The one mis-diagnosed case exhibits fewer fault symptoms in different subsystems, when compared with other fault test cases. Overall speaking, the developed whole building AFDD solutions demonstrate satisfactory fault detection/diagnosis accuracy with very low false alarm rate. Lastly, a survey and market study has been performed to understand the existing AFDD market, including its gaps and needs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

An Adaptive Framework for Extreme Deformation and Failure in Solids

Recent developments at Sandia in meshfree methods have delivered improved robustness in solid mechanics problems that prove difficult for traditional Lagrangian, mesh-based finite elements. Nevertheless, there remains a limitation in accurately predicting very large material deformations. It seems robust meshfree discretizations and integration schemes are necessary, but not sufficient, to close this capability gap. This state of affairs directly impacts current and future LEPs, whose simulation needs are not well met for extremely large deformation problems. We propose to use a new numerical framework, the Optimal Transportation Meshfree (OTM) method enhanced by meshfree adaptivity, as we believe that a combination of both will provide a novel way to close this capability gap.

36 MATERIALS SCIENCE↗

SFAI and Related Technologies

Researchers at Los Alamos have developed Swept-Frequency Acoustic Interferometry (SFAI) a technology that enables businesses to have greater control over their industrial processes, allowing for significantly improved efficiency by giving operators vital composition and flow rate information in real-time. This technology fills the information gap by providing this data non-invasively and at a fraction of the cost of traditional composition meters. SFAI uses engineered ultrasound and advanced signal processing to characterize multiphase flow (e.g., liquids, gasses, multi-phase mixtures) and other flows inside sealed containers and flow pipes. By being both low-cost and non-invasive, this technology is set to disrupt the current oil field monitoring state-of-the-art by providing individual well-level composition data, compared to the multi-well macroscopic information that is currently available. We are seeking a commercialization partner to license the technology or fund us through a Cooperative Research and Development Agreement (CRADA) to a further develop a usable product for commercial purposes.

03 NATURAL GAS↗

Metal Organic Frameworks for Noble Gas Management in the Liquid Fluoride Thorium Reactor (LFTR) (CRADA 459)

The purpose of this project is to demonstrate the novel class of materials known as metal organic frameworks (MOFs) to capture Xe selectively from simulated LFTR off gas. This will establish the viability of designing a dramatically improved approach to noble gas management as compared to activated carbon. However, there are significant data gaps that need to be addressed in order to deploy this technology for LFTRs that include i) converting MOF powders into engineered forms to produce mechanically robust particles, ii) the radiation stability and associated mechanism of degradation (if any) upon irradiation of these sorbent materials and iii) demonstration and comparison to activated carbon of the noble gas separation from simulated LFTR gas stream.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Scalable & Non-Destructive Characterization Strategy to Study Semiconductor/Dielectric Interfaces and Predict Wafer-Level Device Performance

The defect density present at the dielectric-semiconductor interface in an MOS structure directly influences the channel carrier characteristics in semiconductor devices, especially in wide bandgap material systems used in power devices. While these trap defects are typically quantified through electrical characterization of MOS-capacitor test structures, this treatment offers very little insight into the physical nature of interface defects. Such shortcomings demand a physical characterization strategy to guide fabrication optimization. X-ray photoelectron spectroscopy (XPS) is suggested as a viable technique to determine chemical data for dielectric interfaces formed using atomic layer deposition (ALD) on GaN substrates. Previously, 1-D XPS characterization has confirmed the presence of a Ga x O y interlayer between ALD dielectrics and the GaN substrate. In this work, XPS data is serially collected to form 2-D images of an ALD-Al 2 O 3 /GaN interface as a proof-of-concept experiment for in-situ XPS quality monitoring during ALD processing. The information provided by this work reveals some of the challenges for incorporating XPS characterization as an in-situ strategy during fabrication of GaN-based devices. Separately, electrical mapping of a 2-D array of ALD-Al 2 O 3 /GaN MOS-capacitor devices provide a means to quantify the spatial variations in interface quality across a single wafer. Physical characterization techniques, such as time-of-flight secondary ion mass spectroscopy, provide additional chemical information about the Al 2 O 3 /Ga x O y /GaN structure that complement the electrical mapping results. This analysis shows that a higher Ga x O y content correlates with higher interface state defects for trap energies deep in the band gap.

42 ENGINEERING↗