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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 1,459 records · Page 81

Mechanistic modeling study on process optimization and precursor utilization with atmospheric spatial atomic layer deposition

Spatial atomic layer deposition (SALD) is a promising technology with the aim of combining the advantages of excellent uniformity and conformity of temporal atomic layer deposition (ALD), and an industrial scalable and continuous process. In this manuscript, an experimental and numerical combined model of atmospheric SALD system is presented. To establish the connection between the process parameters and the growth efficiency, a quantitative model on reactant isolation, throughput, and precursor utilization is performed based on the separation gas flow rate, carrier gas flow rate, and precursor mass fraction. The simulation results based on this model show an inverse relation between the precursor usage and the carrier gas flow rate. With the constant carrier gas flow, the relationship of precursor usage and precursor mass fraction follows monotonic function. The precursor concentration, regardless of gas velocity, is the determinant factor of the minimal residual time. The narrow gap between precursor injecting heads and the substrate surface in general SALD system leads to a low Péclet number. In this situation, the gas diffusion act as a leading role in the precursor transport in the small gap rather than the convection. Fluid kinetics from the numerical model is independent of the specific structure, which is instructive for the SALD geometry design as well as its process optimization.

42 ENGINEERING↗

Crosscutting Recombination Metrology for Expediting VOC Engineering

Work carried out under this grant addressed the need for improved materials and device characterization of solar cell designs. This experimental program aimed to develop joint electrical and optical studies of solar cells based on the group-II-VI semiconductor CdTe and the chalcogenide semiconductor Cu(InGa)Se 2 . Electrical measurements focused on temperature (T) and illumination intensity (I) dependence of the open-circuit voltage (VOC), a quantity that plays an important role in conversion efficiency. The VOC depends on temperature and illumination intensity through the energy gap and positions of the quasiFermi levels (QFLs). Optical measurements exploited the illumination and temperature dependence of absolute photoluminescence (PL) intensity (PL-I), a quantity that also depends on the QFL positions. The QFL splitting is a quantity that also depends on recombination rates within the solar cell, including radiative and non-radiative processes. Other factors affect the electrical and optical properties. These include band offsets at both the front and back interfaces of the device active region where electrical contacts are formed. Understanding, locating, and quantifying the recombination properties of the solar cells was the principal goal of this research. Custom simulations were developed to solve continuity and Poisson equations selfconsistently to obtain free-electron and free-hole concentrations. The measurements of temperature and intensity dependent VOC and PL-I allowed the extraction of a number of physical parameters including the conduction band offset, the shunt constant, and the effective capture coefficient for recombination centers, both within the absorber and at the absorber-buffer interface. In addition, the back-contact barrier height is determined from electrical properties. Each of these is discussed in the report. The illumination intensity dependence of VOC and PL-I do not overlap in experiments primarily because PL is not observed in the low-intensity regime where VOC is studied. Absolute PL-I measurements enabled development of an approach directly comparing it with VOC. This in turn allowed development of a simulation capability that would consistently use both measurements, as functions of T and I, for producing a minimization scheme using a differential evolution algorithm. The approach was applied to both CdTe and Cu(InGa)Se 2 solar cells each prepared under various conditions. Shunt conductivity, QFL splitting, recombination were measured. Also extensively studied are current-voltage and frequency-dependent capacitance voltage. Work completed under this grant included studies of magnesium zinc oxide (MZO) buffered CdTe solar cells including the effects of hydroiodic acid (HI) treatment. From these studies the recombination rates were quantified at the buffer/absorber (front) interface. The effect of back-contact barrier height was investigated. CdTe solar cells were prepared with CdSe and CdS buffer layers. Lower grain-boundary potential fluctuation, higher back-contact barrier height, and greater bulk recombination were observed in early devices with CdSe buffer layer. Investigations were also carried out into CdS/Cu(InGa)Se 2 solar cells. A metal-insulatorsemiconductor capacitance-voltage technique was developed to extract recombinationrelevant properties of the absorber interface. From this work the density of interface states D it , their capture cross-section σ, fixed charge at the interface Q f , and surface recombination velocity were all extracted.

14 SOLAR ENERGY↗

The Algae Testbed Public Private Partnership -ATP 3 (Final Closeout Report)

The Algae Testbed Public Private Partnership (ATP3) was proposed in response to the ADVANCEMENTS IN SUSTAINABLE ALGAL PRODUCTION (ASAP) FUNDING OPPORTUNITY NUMBER: DE-FOA-0000615 TOPIC AREA 2-DEVELOPMENT OF REGIONAL ALGAL FEEDSTOCK TESTBED (RAFT) PARTNERSHIPS in 2012. For six years, from 2013 through 2019, ATP 3 was operated as a multi-institutional effort funded by the Department of Energy to establish a network of operating testbeds that brought together world-class scientists, engineers and business executives whose goal it was to increase stakeholder access to high quality facilities by making available an unparalleled array of outdoor cultivation, downstream equipment, and laboratory facilities to the algal R&D community. ATP 3 utilized the same powerful combination of facilities and technical expertise to support TEA, LCA and resource modeling and analysis activities, helping to close critical knowledge gaps and inform robust analyses of the state of technology for algal based biofuels and bioproducts. ATP 3 included testbed facilities at Arizona State University’s (ASU) Arizona Center for Algae Technology and Innovation (AzCATI), and augmented by university and commercial facilities in Hawaii (Cellana), California (Cal Poly San Luis Obispo), Georgia (Georgia Institute of Technology), and Florida (Florida Algae), in addition to partners at the National Renewable Energy Laboratory, Sandia National Laboratories, Valicor Renewables (Michigan), University of Texas at Austin (Texas), Commercial Algae Management (Georgia), Harmon Consulting (Hawaii), Evodos (Netherlands), and Litree (China).

09 BIOMASS FUELS↗

Handbook of Advanced Manufactured Material Properties From TCR Structure Builds at ORNL (FY2019)

There is growing interest in the use of additive manufacturing techniques for the production and deployment of components for nuclear power applications. Specifically, the Transformational Challenge Reactor (TRC) program seeks to demonstrate the application of advanced manufacturing to rapidly develop and deploy a microreactor. As part of the TCR objective, a database on materials performance, such as thermophysical properties and mechanical performance, is required to help inform nuclear reactor designers, operators, and regulators regarding possible material limitations using emerging manufacturing techniques. The following report seeks to collect all available data regarding the material performance of candidate alloys and manufacturing processes pursued within the TCR program at Oak Ridge National Laboratory. At this time, this database focuses only on materials derived within the program and does not extend to additional manufacturing processes, manufacturers, or other advanced materials. Where appropriate, recommendations for applications of the data are provided and current knowledge gaps are identified.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Enhancement of Industry Legacy Probabilistic Risk Assessment Methods and Tools

Probabilistic risk assessments (PRAs) are integral to nuclear power plant (NPP) operations, having tremendously benefitted the safety of the U.S. reactor fleet for decades. Insights obtained from the models have provided perspectives on a variety of applications, both at the plant and for the regulator. While these models are very useful, they are now being asked to represent and analyze aspects of the plant that were never envisioned by the initial PRA practitioners. Furthermore, heightened demands on the PRA models have led to increased computing power requirements. Additionally, as the complexity of the PRA models increased, the difficulty experienced by non-PRA experts in trying to understand these models, grasp the insights they provide, and effectively use that information has become problematic. The need for research to address key issues regarding PRA tools and methods has never been greater. Although the nuclear power industry has largely been well-served by these tools and methods, the underlying science is dated, remaining mostly unchanged for over two decades. Three areas were identified as most beneficial to address to maintain and improve the usefulness of the current practice legacy PRA tools: improvement in quantification speed, increased ability to efficiently model multi-hazard models, and improvement in modeling human action dependency in PRA. This report provides the outcomes from the FY2021 research into these three areas, identifying potential technical gaps and solutions, and charting the next steps forward to address current PRA challenges.

42 ENGINEERING↗

CFD-Guided Evaluation of Spark-Assisted Gasoline Compression Ignition for Cold Idle Operation

A closed-cycle, three-dimensional (3D) computational fluid dynamics (CFD) analysis campaign was conducted to evaluate the performance of using spark plugs to assist gasoline compression ignition (GCI) combustion during cold idle operations. A conventional spark plug using single-sided J-strap design was put at a location on the cylinder head to facilitate spray-guided spark assistance. Ignition was modeled with an L-type energy distribution to depict the breakdown and the arc-to-glow phases during the energy discharge process. Several key design parameters were investigated, including injector clocking, number of nozzle holes, spray inclusion angle, number of fuel injections, fuel split ratio, and fuel injection timings. The study emphasized the region around the spark gap, focusing on flame kernel formation and development and local equivalence ratio distribution. Flame kernel development and the ignition process were found to correlate strongly with the fuel stratification and the flow velocity near the spark gap. The analysis results showed that the flame kernel development followed the direction of the local flow field. In addition, the local fuel stratification notably influenced early-stage flame kernel development due to varying injection spray patterns and the fuel injection strategies. Among these design parameters, the number of nozzle holes and fuel injection timing had the most significant effects on the engine combustion performance.

42 ENGINEERING↗

Identification of Medical Training Methods for Exploration Missions

As the National Aeronautics and Space Administration (NASA) and its international partner agencies anticipate eventual exploration missions of longer duration, there is a need to plan for the medical capabilities necessary to maximize crew health and provide the best likelihood of mission success. Current spaceflights consist of 5- to 6-month excursions to the International Space Station (ISS) in low-Earth orbit (LEO), and a 12-month ISS mission is currently in planning stages. However, missions to a near-Earth asteroid (NEA), a return to the moon, or even a mission to Mars will demand unprecedented medical capabilities, particularly relating to the training of the crew medical officers (CMOs). In its attempts to address the questions about medical preparation for spaceflight beyond LEO, the Exploration Medical Capability (ExMC) element within NASA's Human Research Program (HRP) defines a series of gaps. These gaps are shortcomings in knowledge, training, or technology that require resolution before an exploration mission can be undertaken. The ExMC element maintains current information about measures to close these gaps while developing plans for further investigation and research. Data pertaining to the gaps and their present status are available to the general public on the NASA Human Research Wiki and the NASA Human Research Roadmap Web sites (34, 36). One such gap, Gap 3.01, identifies a lack of knowledge about the optimal training methods for in-flight medical conditions identified on the Exploration Medical Condition List (EMCL), taking into account the crew medical officer s (CMOs) clinical background (33). This broad statement encompasses several related issues with the current methods of training CMOs and the medical ground support staff, specifically flight surgeons and biomedical engineers (BMEs) located in mission control, in addition to questions pertaining to the ways in which training will need to be adapted for the medical contingencies unique to exploration missions. To determine the optimal methods of medical training for an exploration medical crew and their ground support team, the historical context of medical operations, the current CMO training methods, and potential alternative training methods were identified.

Long duration space flight↗

New Frontiers in Synthetic Biology for Spaceflight

Exploration of the solar system is constrained by the cost of moving mass off Earth. Producing materials in situ will reduce the mass that must be delivered from earth. CO2 is abundant on Mars and manned spacecraft. On the ISS, NASA reacts excess CO2 with H2 to generate CH4 and H2O using the Sabatier System. The resulting water is recovered into the ISS, but the methane is vented to space. Thus, there is a capability need for systems that convert methane into valuable materials. Methanotrophic bacteria consume methane but these are poor synthetic biology platforms. Thus, there is a knowledge gap in utilizing methane in a robust and flexible synthetic biology platform. The yeast Pichia pastoris is a refined microbial factory that is used widely by industry because it efficiently secretes products. Pichia could produce a variety of useful products in space. Pichia does not consume methane but robustly consumes methanol, which is one enzymatic step removed from methane. Our goal is to engineer Pichia to consume methane thereby creating a powerful methane-consuming microbial factory.

Galazka, Jonathan M.↗

Methane Metabolism by Yeast for Solar System Exploration

Exploration of the solar system is constrained by the cost of moving mass off Earth. Producing materials in situ will reduce the mass that must be delivered from earth. CO2 is abundant on Mars and manned spacecraft. On the ISS, NASA reacts excess CO2 with H2 to generate CH4 and H2O using the Sabatier System. The resulting water is recovered into the ISS, but the methane is vented to space. Thus, there is a capability need for systems that convert methane into valuable materials. Methanotrophic bacteria consume methane but these are poor synthetic biology platforms. Thus, there is a knowledge gap in utilizing methane in a robust and flexible synthetic biology platform. The yeast Pichia pastoris is a refined microbial factory that is used widely by industry because it efficiently secretes products. Pichia could produce a variety of useful products in space. Pichia does not consume methane but robustly consumes methanol, which is one enzymatic step removed from methane. Our goal is to engineer Pichia to consume methane thereby creating a powerful methane-consuming microbial factory.

Galazka, Jonathan M.↗

New Frontiers in Synthetic Biology for Spaceflight

Exploration of the solar system is constrained by the cost of moving mass off Earth. Producing materials in situ will reduce the mass that must be delivered from earth. CO2 is abundant on Mars and manned spacecraft. On the ISS, NASA reacts excess CO2 with H2 to generate CH4 and H2O using the Sabatier System. The resulting water is recovered into the ISS, but the methane is vented to space. Thus, there is a capability need for systems that convert methane into valuable materials. Methanotrophic bacteria consume methane but these are poor synthetic biology platforms. Thus, there is a knowledge gap in utilizing methane in a robust and flexible synthetic biology platform. The yeast Pichia pastoris is a refined microbial factory that is used widely by industry because it efficiently secretes products. Pichia could produce a variety of useful products in space. Pichia does not consume methane but robustly consumes methanol, which is one enzymatic step removed from methane. Our goal is to engineer Pichia to consume methane thereby creating a powerful methane-consuming microbial factory.

methane↗

Exploration Medical Capability Science and Research Overview and Update

The mission of the Exploration Medical Capability (ExMC) Element is to advance medical system design and risk-informed decision making for exploration beyond Low Earth Orbit to promote human health and performance in space. To accomplish this mission, ExMC focuses on several key areas: • Investigating specific risks that are relevant for human exploration spaceflight, including in-flight medical conditions, degraded or toxic medications, and renal stones • Developing medical probabilistic risk analysis tools that are integrated with systems engineering processes to inform the medical system trade space and support the development of robust requirements • Demonstrating and defining requirements for a prototype clinical decision support system • Developing and demonstrating novel medical technologies that will improve future medical capabilities in space This presentation will focus on selected scientific and technical conceptual drivers for the Element and its current and future research risks and gaps while providing an overview of the Element’s progress in 2021 and areas of focus for 2022.

Benjamin Easter↗

How Can NASA Science Benefit Solar Energy Development and Assessment?

This is a keynote presentation for a workshop highlighting the use of remote sensing and modeling products derived with NASA missions and Earth system modeling for solar energy system development. We broadly introduce NASA's fleet of satellite producing publicly available data products that would be useful for the information needed solar energy development. We also introduce the work in Earth system science modeling that provides additional global gridded data products that are also relevant. We identify that one issue is obtaining and using this data is the level of expertise needed to find it. NASA has developed a new Earth Action program to address this gap and bring the data closer to the user. Now under the Energy Resources element, the NASA LaRC's POWER (Prediction of Worldwide Renewable Energy) project has developed a web services platform that provides key information needed for solar energy development as analysis-ready. This means that the data for particular locations are immediately useful for help provide the information needed by engineers and architects to plan for solar systems. Thus, the presentation shows why NASA products would be relevant and then shows examples of finding the needed data through the POWER web portal.

remote sensing↗

An optimization method for flexural bearing design for high-stroke high-frequency applications

A method for optimization of a high-stroke, high-frequency flexural bearing was completed. The main goal was to design a flexural bearing system as the energy restoration component of a one kW free piston linear engine alternator (LEA) operating at 90 Hz and maximum targeted displacement of 22 mm. Defined electricity output of 1 kW, with more than 30% efficiency, required engine operation under high speed and high stroke conditions. Under such challenging stroke and frequency requirements, a method of design was required to select between a wide range of parameters in flexural bearing design. A parametric CAD model was prepared and used in the optimization package of a finite element analysis (FEA) software. Four main parameters of flexural bearing geometry were identified and included the outer diameter, thickness, number of arms, and sweep angle of spiral cuts. Other design parameters including spiral gap width, shape factor and spiral start points angle were shown to be less important compared to these four main parameters in primary design and were examined separately. A neural network algorithm was used to investigate the interactions and effects of design parameters. The sensitivity of each parameter on output criteria such as maximum stress and natural frequency was examined and design charts developed. Methods for further modification of the spiral curve at end points were introduced to reduce the maximum stress level by up to 20%. Several steel alloys and a titanium-based alloy were identified as proper material candidates for high cycle applications and the final designed spring was manufactured and tested to validate the FEA results of axial stiffness and strain level throughout the flexure arms. The percent of the flexure’s moving mass was estimated to be 29% with FEA analysis and compared well with the experimental value of 31%. The stress/strain results of the FEA analysis matched with the experimental results – within ±5%.

42 ENGINEERING↗

Boron Nitride Nanotubes for Engineering Applications

Boron nitride nanotubes (BNNT) are of significant interest to the scientific and technical communities for many of the same reasons that carbon nanotubes (CNT) have attracted wide attention. Both materials have potentially unique and important properties for structural and electronic applications. However of even more consequence than their similarities may be the complementary differences between carbon and boron nitride nanotubes While BNNT possess a very high modulus similar to CNT, they also possess superior chemical and thermal stability. Additionally, BNNT have more uniform electronic properties, with a uniform band gap of 5.5 eV while CNT vary from semi-conductive to highly conductive behavior. Boron nitride nanotubes have been synthesized both in the literature and at NASA Glenn Research Center, by a variety of methods such as chemical vapor deposition, arc discharge and reactive milling. Consistent large scale production of a reliable product has proven difficult. Progress in the reproducible synthesis of 1-2 gram sized batches of boron nitride nanotubes will be discussed as well as potential uses for this unique material.

Hurst, Janet↗

Uncertain quantum computing futures and potential energy and physical resource impacts at scale

Considerable attention has recently focused on the vast energy and water demands of supercomputing, namely large-scale data centers that underpin artificial intelligence (AI), one of the great disruptors of contemporary society. Looking ahead some years from now, quantum computing is poised to disrupt established computing paradigms once again. Scientists and engineers are now working intensely to bring this century-old dream of physicists to fruition. Yet, as quantum computers begin to be integrated with classical supercomputing architectures, the implications for energy and physical resource use also need to be understood, especially how they compare to today’s AI data centers. These impacts have not yet been quantified by the research community – a notable gap in the literature, even if commercial-scale deployment of Quantum-Accelerated Computing Infrastructure (QuACI) is not expected for a few more years. This study is the first to conduct such an assessment. Using publicly available information from academic sources and private industry, we characterize multiple configurations of superconducting qubit-based, fault-tolerant quantum computers (FTQC) that could plausibly be deployed at scale in the 2030s and into the 2040s. By parameterizing these FTQC systems at a process level, we conduct a prospective scenario analysis to quantify their energy and physical resource needs. While these estimates are uncertain, given the current state of quantum technologies and their unknown future trajectories, important insights can already be drawn. One key finding is that while the electricity needs for a fleet of FTQCs are within the bounds of previous modeling studies that have explored high electricity demand futures, the needs for certain physical resources, namely water and helium-3, could pose bottlenecks to QuACI scale-up.

Computing↗

Polaronic behavior in a weak-coupling superconductor

We report the nature of superconductivity in the dilute semiconductor SrTiO 3 has remained an open question for more than 50 y. The extremely low carrier densities (10 18 –10 20 cm -3 ) at which superconductivity occurs suggest an unconventional origin of superconductivity outside of the adiabatic limit on which the Bardeen–Cooper–Schrieffer (BCS) and Migdal–Eliashberg (ME) theories are based. We take advantage of a newly developed method for engineering band alignments at oxide interfaces and access the electronic structure of Nb-doped SrTiO 3 , using high-resolution tunneling spectroscopy. We observe strong coupling to the highest-energy longitudinal optic (LO) phonon branch and estimate the doping evolution of the dimensionless electron–phonon interaction strength (λ). Upon cooling below the superconducting transition temperature (T c ), we observe a single superconducting gap corresponding to the weak-coupling limit of BCS theory, indicating an order of magnitude smaller coupling (λ BCS ≈0.1). These results suggest that despite the strong normal state interaction with electrons, the highest LO phonon does not provide a dominant contribution to pairing. Finally, they further demonstrate that SrTiO 3 is an ideal system to probe superconductivity over a wide range of carrier density, adiabatic parameter, and electron–phonon coupling strength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Extending the Nuclide Inventory Validation Basis for High-Burnup Fuel with New Radiochemical Assay Data

Efforts are underway at Oak Ridge National Laboratory to improve the nuclide inventory validation basis for spent nuclear fuel at high burnups. Recently conducted radiochemical assay experiments provided new measurement data for nine samples of fuel irradiated in a pressurized water reactor, with estimated sample burnups in the 30 to 70 GWd/t range. This type of destructive assay data is essential for validating computational methods, tools, and nuclear data applied in nuclear safety analyses and for improving our understanding of the bias and uncertainty in code predictions. The measurement data include key actinides and fission products that span a gamut of needs and interests for nuclear science and engineering applications in criticality safety, reactor physics, nuclide inventory, decay heat, and radiation shielding. The SCALE 6.3 code system with ENDF/B-VII.1 cross-section libraries was used to simulate the irradiation histories of the measured fuel samples. The calculated nuclide concentrations are compared to corresponding measurement data. The significance of the comparisons is discussed, emphasizing how the addition of the new measurement data fills gaps in the validation basis at high burnups and contributes to the decrease in bias and uncertainty for predicted nuclide concentrations. The discussion addresses the effect of the sample burnup used in the simulation—which is based on reactor operator records or on calibration to measured data for burnup indicator fission products—on the validation results.

Nuclide inventory↗