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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Investigation of kinetic inductance and microwave loss in thin-film TaC x N 1−x superconducting resonators

The promise of tantalum for realizing superconducting quantum devices has generated interest in its compound films, particularly nitrides. Among these, cubic-phase tantalum carbonitride (TaC x N 1−x ) offers reduced susceptibility to oxidation and a high critical temperature, yet its microwave properties remain largely unexplored. Here, in this study, we investigate plasma-enhanced atomic layer deposition of cubic-phase TaC x N 1−x thin films for superconducting microwave circuits. Structural and transport measurements reveal nanocrystalline morphology with sub-10 nm grains and superconductivity in the dirty limit. Coplanar waveguide resonators exhibit moderately high kinetic inductance (16.8 pH/sq for 30 nm films) with potential for enhancement through dimensional scaling. The films also support high internal quality factors exceeding 10 5 at 50 mK in the single-photon regime, comparable to granular aluminum. Loss analysis identifies the two-level systems as the dominant limiting mechanism, with potential for further reduction through interface engineering. These results establish atomic layer deposited TaC x N 1−x as a promising material for scalable, low-loss, high-inductance superconducting circuits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Probing multiscale dissolution dynamics in natural rocks through microfluidics and compositional analysis

Mineral dissolution significantly impacts many geological systems. Carbon released by diagenesis, carbon sequestration, and acid injection are examples where geochemical reactions, fluid flow, and solute transport are strongly coupled. The complexity in these systems involves interplay between various mechanisms that operate at timescales ranging from microseconds to years. Current experimental techniques characterize dissolution processes using static images that are acquired with long measurement times and/or low spatial resolution. These limitations prevent direct observation of how dissolution reactions progress within an intact rock with spatially heterogeneous mineralogy and morphology. We utilize microfluidic cells embedded with thin rock samples to visualize dissolution with significant temporal resolution (100 ms) in a large observation window (3 × 3 mm). Here we injected acidic fluid into eight shale samples ranging from 8 to 86 wt % carbonate. The pre- and postreaction microstructures are characterized at the scale of pores (0.1 to 1 µm) and fractures (1 to 1,000 µm). We observe that nonreactive particle exposure, fracture morphology, and loss of rock strength are strongly dependent on both the relative volume of reactive grains and their distribution. Time-resolved images of the rock unveil the spatiotemporal dynamics of dissolution, including two-phase flow effects in real time and illustrate the changes in the fracture interface across the range of compositions. Moreover, the dynamical data provide an approach for characterizing reactivity parameters of natural heterogeneous samples when porous media effects are not negligible. The platform and workflow provide real-time characterization of geochemical reactions and inform various subsurface engineering processes.

58 GEOSCIENCES↗
DOE OSTI2023

Development of New Magnetron Sputter Deposition Processes for Laser Target Fabrication

Magnetron sputter deposition is an enabling technology for laser target fabrication. Solutions are readily available for the deposition of most sub-micron-thick elemental films on planar substrates. However, major challenges still remain for the development of robust deposition processes in regimes of ultrathick (over ~10 μm) coatings and nonplanar substrates. These challenging deposition regimes are directly relevant to laser target applications, including both sphero-cylindrical hohlraums and spherical ablators for inertial confinement fusion (ICF) targets. Understanding underlying physical mechanisms for a specific material system is crucial for process development, given the overall complexity of the deposition process, its nonlinear dependence on deposition parameters, and a very large process space, often precluding conventional process optimization approaches. Here, we describe our approach to developing new deposition processes and give practical advice with examples of new results from our ongoing studies of glassy boron carbide ceramics for next-generation ICF ablators and nonequilibrium gold-tantalum alloys for hohlraums for magnetized ICF schemes. Emphasis is given to two major challenges of ultrathick coatings related to achieving process stability and reducing residual stress.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Capture of primordial black holes in extrasolar systems

The vast datasets associated with extrasolar systems promise to offer sensitive probes of new physics in the near future. Here, we consider the possibility that such systems may capture primordial black holes (PBHs) or other exotic compact objects, giving rise to unique observational signatures. We estimate the rate of captures by extrasolar systems, accounting for several distinct mechanisms. We find that the capture rate is negligible unless PBHs account for the entirety of dark matter in a narrow mass range just above the threshold of existing constraints from evaporation. In this scenario, luminous evaporating PBHs may be detectable by exoplanet searches.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Asymptotic errors in adiabatic evolution

The adiabatic theorem in quantum mechanics implies that if a system is in a discrete eigenstate of a Hamiltonian and the Hamiltonian evolves in time arbitrarily slowly, the system will remain in the corresponding eigenstate of the evolved Hamiltonian. Understanding corrections to the adiabatic result that arise when the evolution of the Hamiltonian is slow—but not arbitrarily slow—has become increasingly important, especially since adiabatic evolution has been proposed as a method of state preparation in quantum computing. Here, this paper identifies two regimes, an adiabatic regime in which corrections are generically small and can depend on details of the evolution throughout the path, and a hyperadiabatic regime in which the error is given by a form similar to an asymptotic expansion in the inverse of the evolution time with the coefficients depending principally on the behavior at the endpoints. However, the error in this hyperadiabatic regime is neither given by a true asymptotic series nor solely dependent on the endpoints: the coefficients combine the contributions from both endpoints, with relative phase factors that depend on the average spectral gaps along the trajectory, multiplied by the evolution time. The central result of this paper is to identify a quantity, referred to as the typical error, which is obtained by appropriately averaging the error over evolution times that are small compared to the evolution time itself. This typical error is characterized by an asymptotic series and depends solely on the endpoints of the evolution, remaining independent of the details of the intermediate evolution.

adiabatic approximation↗
DOE OSTI2020

Thermal transport in compensated semimetals: Effect of electron-electron scattering on Lorenz ratio

It is well known that the electronic thermal conductivity of clean compensated semimetals can be greatly enhanced over the electric conductivity by the availability of an ambipolar mechanism of conduction, whereby electrons and holes flow in the same direction experiencing negligible Coulomb scattering as well as negligible impurity scattering. This enhancement—resulting in a breakdown of the Wiedemann-Franz law with an anomalously large Lorenz ratio—has been recently observed in two-dimensional monolayer and bilayer graphene near the charge neutrality point. In contrast to this, three-dimensional compensated semimetals such as WP 2 and Sb are typically found to show a reduced Lorenz ratio. Here, we investigate the reasons for this difference, focusing on the low-temperature regime where the electron-electron scattering is expected to dominate over other scattering mechanisms. We show that the different regimes of Fermi statistics (nondegenerate electron-hole liquid in graphene versus degenerate electron-hole liquid in compensated semimetals) are not sufficient to explain the reduction of the Lorenz ratio in the latter. We propose that the solution of the puzzle lies in the large separation of electron and hole pockets in momentum space, which allows compensated semimetals to sustain sizable regions of electron-hole accumulation near the contacts. These accumulations suppress the ambipolar conduction mechanism and effectively split the system into two independent electron and hole conductors. We present a quantitative theory of the crossover from ambipolar to unipolar conduction as a function of the size of the electron-hole accumulation regions, and show that it naturally leads to a sample-size-dependent thermal conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Out-of-plane polarization and topological magnetic vortices in multiferroic CrPSe 3

Two-dimensional multiferroic materials are ideal systems for exploring new coupling mechanisms between different ferroic orders and producing novel quantum phenomena with potential applications. Here we employ first-principles density functional theory calculations to discover intrinsic ferroelectric and antiferroelectric phases of Cr⁢P⁢Se 3 , which show ferromagnetic order and compete with the centrosymmetric phase with an antiferromagnetic order. Our analysis shows that the electrical dipoles of such type-I multiferroic phases come from the out-of-plane displacements of phosphorus ions due to the stereochemically active lone pairs. The coupling between polar and magnetic orders creates the opportunity for tuning the magnetic ground state by switching from the centrosymmetric to the ferroelectric phase using an out-of-plane electric field. In ferroelectric and antiferroelectric phases, the combination of easy-plane anisotropy and Dzyaloshinskii-Moriya interactions indicates that they can host topological magnetic vortices such as meron pairs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Real-time characterization of dislocation slip and twinning of shock-compressed molybdenum single crystals

Characterizing the fundamental micromechanisms activated during plastic deformation is critical to explain the macroscopic shock response of materials and develop accurate material models. In this paper, we investigate the orientation dependence, and the mediated slip and twin systems on [100] and [111] bcc molybdenum single crystals shock compressed up to 18 GPa with real-time Laue x-ray diffraction measurements. We report that dislocation slip along the {110} < 111 > and {112} < 111 > systems is the governing deformation mechanism during compression with negligible anisotropy observed at the Hugoniot state. Here, we provide real-time evidence that molybdenum undergoes deformation twinning along {11¯2} < 111 > during shock release.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Automated Indexing of Structured Scientific Metadata Using Apache Solr

Scientific datasets are continuously growing with the amount of raw data being collected worldwide. This amount of data poses the biggest challenge to web search engines on how to retrieve them efficiently. This paper discusses how major scientific data centers are using popular open-source search platforms such as Solr [1] to retrieve structured data stored in data sources such as relational database management systems using its import handler mechanisms [2]. Additionally, we will also focus on how we can configure Solr to serve advanced full-text, faceted search capabilities, along with its key features, which simplify representing and delivering better performance to the scientific search interfaces.

Guntupally, Kavya↗
DOE OSTI2021

Developing a Distributed Trust Model for Distributed Energy Resources

Electric power system operators can manage distribution system reliability by coordinating end customer usage of distributed energy resources. The end customers in this regard are Service Provisioning Customers, who provide their energy resources to a Grid Service Provider, which in turn dispatches large aggregations of distributed energy resources to provide reliable service to the power system.The security of this system relies upon information protection mechanisms, as described in IEEE 2030.5. However, in addition to preventive security measures, a monitoring function is required to ensure trustworthiness. Trust models are a method to detect and respond to both expected and unexpected behavior. Different trust models are required for various types and characteristics of each situation. This paper will describe the topics that must be considered when developing a trust model as it applies to distributed energy resources. The major contribution of this paper is the creation and application of a Distributed Trust Model applied to distributed energy resources.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Gas-phase formation of the resonantly stabilized 1-indenyl (C 9 H 7 • ) radical in the interstellar medium

The 1-indenyl (C 9 H 7 • ) radical, a prototype aromatic and resonantly stabilized free radical carrying a six- and a five-membered ring, has emerged as a fundamental molecular building block of nonplanar polycyclic aromatic hydrocarbons (PAHs) and carbonaceous nanostructures in deep space and combustion systems. However, the underlying formation mechanisms have remained elusive. Here, we reveal an unconventional low-temperature gas-phase formation of 1-indenyl via barrierless ring annulation involving reactions of atomic carbon [C( 3 P)] with styrene (C 6 H 5 C 2 H 3 ) and propargyl (C 3 H 3 • ) with phenyl (C 6 H 5 • ). Macroscopic environments like molecular clouds act as natural low-temperature laboratories, where rapid molecular mass growth to 1-indenyl and subsequently complex PAHs involving vinyl side-chained aromatics and aryl radicals can occur. These reactions may account for the formation of PAHs and their derivatives in the interstellar medium and carbonaceous chondrites and could close the gap of timescales of their production and destruction in our carbonaceous universe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Coupling of high-resolution mass spectrometer and photosynthesis system for comprehensive leaf volatile metabolite profiling

Background Leaf-level biogenic volatile organic compounds (BVOCs) emissions represent a major source of organic gases in the atmosphere, influencing both climate and air quality. These emissions are strongly driven by environmental perturbations, which affect individual plant- to ecosystem-level processes. Uncovering all the BVOCs and understanding how their emissions respond to altered environmental conditions provide critical insights into vegetation-driven changes in atmospheric chemistry. We developed a tandem instrumentation setup that integrates a proton transfer reaction time-of-flight mass spectrometer (PTR-ToF-MS) with parts-per-trillion detection limits and a photosynthetic infrared gas exchange system for the untargeted survey of all the BVOCs. This novel system enables simultaneous, real-time monitoring of BVOC emissions and photosynthetic parameters at the leaf level, offering new opportunities to disentangle the physiological and environmental drivers of VOC release. Furthermore, we established the VOC Analysis and Processing Optimization Resource (VAPOR), an open-access software tool designed for rapid data post-processing and the analysis of the variability of hundreds of BVOCs. We assessed the performance of the tandem system under varying background conditions, using standard gas mixtures and a range of environmental factors. Results Blank emissions were substantially lower for major BVOCs (e.g., isoprene) compared to those observed in plant emissions. Despite this, the observation of background-level VOCs highlights the importance of routinely acquiring and accounting for blank measurements in analyses using the coupled instrumentation. Introduction of known VOC concentrations to the system demonstrated a linear response across different compounds with varying molecular compositions, indicating minimal gas loss regardless of chemical moieties within the coupled instrumentation. We applied the optimized system to investigate the physiological mechanisms driving BVOC emissions across different genotypes of poplar and pennycress. The high mass resolution capabilities of the PTR-ToF-MS, coupled with comprehensive VAPOR-driven data analysis, enabled the identification of several important BVOCs, including methanol and methanethiol; these BVOCs displayed substantial variation across pennycress genotypes and showed concentrations ~ 100–350% higher than the blank. Moreover, isoprene emissions varied significantly among poplar genotypes grown in different potting media. Conclusions Tandem instrumentation offers a powerful tool for profiling volatile molecular markers and elucidating their genetic and environmental underpinnings. This approach enhances our ability to predict BVOC emissions in response to genotype by environmental interactions and contributes to a deeper understanding of vegetation responses to environmental changes.

Biogenic volatile organic compounds↗
DOE OSTI2020

Advanced Sensors and Instrumentation (ASI) Program Plan. Nuclear Energy Enabling Technologies (NEET)

The U.S. Department of Energy Office of Nuclear Energy (DOE-NE) sponsors a crosscutting technology development (CTD) program addressing common instrumentation & controls (I&C) needs in all DOE-NE sponsored programs. In 2012, DOE-NE initiated the Nuclear Energy Enabling Technology (NEET) Program to conduct research, development, and demonstration (RD&D) in crosscutting technologies that directly support and enable the development of existing, new and advanced reactor designs, and fuel cycle technologies. These technologies will advance the state of nuclear technology, improve its competitiveness, and promote continued contribution to meeting our Nation’s energy and environmental challenges. The NEET Program has spurred innovation in the field of sensors and instrumentation, advanced methods for manufacturing, and cyber security. The Advanced Sensors and Instrumentation (ASI) program is one element of the NEET CTD that has spurred innovation in the measurement science field by funding research on sensors, instrumentation and controls, communication, and advanced analytics that measure system parameters, gauge component control input, and provide power plant owners and operators critical awareness so they can plan and safely manage operational evolutions. The NEET ASI Program has carried out research and development (R&D) required to develop and deploy innovative and advanced sensors, and instrumentation and control capabilities for current and future nuclear energy systems, and to enable the advanced technologies essential to NE’s R&D efforts needed to realize mission goals. The concept of technology readiness assessment is helpful for the classification of instrumentation technology as part of the program strategy. A technology readiness assessment evaluates technology maturity using the Technology Readiness Level (TRL) scale and was pioneered by the National Aeronautics and Space Administration in the 1980s for space technology. It has recently been adopted to advance fuels and materials. The NEET ASI program objective is to mature instruments technology to TRL 6, which is “demonstration of the technology in relevant environment.” While there may be instances in which a different strategy is justified, the aim of the program is to respond to DOE program and stakeholder needs for nuclear instrumentation then hand off the technology after demonstration for integration in a more complex system, for example an irradiation test, experimental loop or a plant component such as the core, primary system or heat exchanger. A mechanism to continue some level of support from NEET ASI during and after the adoption (for example, to maintain fabrication and calibration capabilities) will be defined as the first example of technology hand off comes to fruition. In addition, several paths exist within DOE to complement NEET ASI activities to extend the maturity beyond TRL, for example through GAIN, technology commercialization funding, and small-business programs. Role of NEET ASI CINR projects in the TRL space, and integration with direct funded demonstration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Improved Models of Long-Term Creep Behavior of High Performance Structural Alloys

In this program, QuesTek Innovations LLC, a leader in the field of computational materials design, proposes to develop a robust creep-modeling toolkit that expands its computational Materials by Design® technology, in order to predict the long-term creep performance of materials for base alloys and weldments in fossil energy systems under wide thermal and mechanical conditions. The Material Database Group of NIMS (National Institute for Material Science, JAPAN) provides reliable public data for long-term creep behavior over 300,000 hours (> 34 years) for a variety of materials including high Cr steels along with seminal work performed by EPRI (Electric Power Research Institute) on creep failure of these steels. QuesTek would rely on these premier institutions for experimental data needed to calibrate models. The developed tool has wider applications than the state-of-the-art modeling tools. It includes the effects of chemistry variations, microstructure variation (weldments) etc .which is lacking in many available models requiring the model to be calibrated to large number of datasets for accurate predictions. A model based on fundamental mechanism has promises in application to different materials, other than the demonstrated material (Grade 91 steels) in the current program. As a result of such an effort, we envision greatly advancing the state-of-the-art modeling tools for creep life assessments of different materials.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Potential Formation Damage: An Integrated Reservoir Characterization Study of the Naturally Fractured Carbonate Middle Duperow Formation at the Kevin Dome, Montana

In this study, we integrate geologic and engineering data of a naturally fractured carbonate reservoir at the Kevin Dome, Montana. Well test data are correlated with core description, geochemical and lithology study to determine the flow behavior and communication within the injection test interval and to the surrounding area. Based on a dual-continuum geologic model, numerical brine injection simulations are carried out to validate the interpretation results from our well test analytical models and forecast the probability of CO 2 injection success using current reservoir properties. As a result, our well test analytical models as well as lithology/core description suggest that fluid flow may be mainly restricted to the injection interval and the assumption of radial (horizontal) flow may be appropriate. The well test models also indicate that there is potentially formation damage with a positive skin factor although prior to brine injection well tests, well stimulation through acid treatment was performed. Our numerical simulation results appear to confirm this formation damage by showing additional pressure buildup in the injection data during later test periods. To explain this, acid may have dissolved dolomite then dolomite or calcite may have been formed again further into the matrix/fracture system. Another possible explanation is mechanical clogging of the fractures due to acid dissolving dolomite and dislodging fine grains. Our work also predicts that if no additional well stimulation is performed, the project will have a lower probability of successfully injecting 1 million tons of CO 2 into the Middle Duperow formation over 4 years.

42 ENGINEERING↗
DOE OSTI2020

Geologic Characterization for CO 2 Storage with Enhanced Oil Recovery in Northern Michigan

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. This report compiles the results of geologic characterization of late-stage reefs, active EOR reefs, and new EOR reefs in the Northern Niagaran Pinnacle Reef Trend (NNPRT) in Michigan to demonstrate developed methodologies, geologic variability, and reservoir potential for CO 2 storage. Conducting CO 2 injection and monitoring in these settings provide significant insights for addressing the project objectives: assessment of injectivity in complex carbonate reef deposits; assessing CO 2 trapping mechanisms in a closed reservoir system; assessing any final oil recovery from transitional or residual oil zones in a field where CO 2 flooding is nearing completion; evaluating the transition from EOR to storage of CO 2 ; assessing regional commercialization; assessing new technologies for tracking CO 2 , brine, and oil movements underground; and monitoring options in a closed reservoir with oil, residual oil, and water zones.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

The Fundamental Creep Behavior Model of Gr.91 Alloy by ICME Approach (Final Report)

The current project mainly focused on the fundamental creep cracking mechanism of the Grade 91 system during the operation conditions in the advanced technologies FE power plants and build the link among Composition-Processing Parameters-Phase Stability-Microstructure-Creep Resistance. A model based on computational thermodynamics and diffusion kinetics will be developed to provide guidance on how to improve the creep resistance of the alloy system. The PI mainly investigate the Gr.91 base alloy and weldment with the Integrated Computational Materials Engineering (ICME) approach. The long-term goal of the proposed program is to develop a model for creep and fatigue resistant alloys with different elemental systems, compositions, and processing parameters of weldment and heat-treatment. In addition, new creep and fatigue resistant alloys are to be designed based on the predictions from the model. The computational as well as experimental results include three sections: 1) The compositional optimization and secondary phases evaluation regarding the creep resistance in Grade 91 steel through the CALPHAD approach. In this section, the formation of the critical secondary phases, M23C6, MX and Z-phase were well predicted based on many conditions like the temperature as well as compositions. Meanwhile, the role of different alloying elements was also considered as they will directly affect the formation of the secondary phases mentioned above based on the compositional evolution of the alloying elements. 2) An investigation of Creep Resistance in Grade 91 Steel through Computational Thermodynamics. We systematically considered the evolution of the four critical temperatures, Ac3, Ac1, the threshold of M23C6 and Z-phase, on basis of the computational approach. Meanwhile, the equilibrium cooling as well as Scheil simulations were also considered to perform further predictions based on the different cooling rates. 3) Creep lifetime and microstructural evolution of the Grade 91 steel. In this part, mainly experimental approach was performed on the real creep test from the beginning of the commercial Gr.91 alloys. The alloys were normalized, tempered, welded (Gleeble) and PWHT and finally subjected to the creep lifetime analyses. Finally, all the samples after each process were further characterized based on the OM, XRD and SEM technique to draw final conclusions.

01 COAL, LIGNITE, AND PEAT↗