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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 1,351 records · Page 75

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DOE OSTI2014

High-performance broadband optical coatings on InGaN/GaN solar cells for multijunction device integration

We demonstrate InGaN/GaN multiple quantum well solar cells grown by metalorganic chemical vapor deposition on a bulk (0001) substrate with high-performance broadband optical coatings to improve light absorption. A front-side anti-reflective coating and a back-side dichroic mirror were designed to minimize front surface reflections across a broad spectral range and maximize rear surface reflections only in the spectral range absorbed by the InGaN, making the cells suitable for multijunction solar cell integration. Application of optical coatings increased the peak external quantum efficiency by 56% (relative) and conversion efficiency by 37.5% (relative) under 1 sun AM0 equivalent illumination.

14 SOLAR ENERGY↗

DOE OSTI2019

A Kriging-Based Approach to Autonomous Experimentation with Applications to X-Ray Scattering

Abstract Modern scientific instruments are acquiring data at ever-increasing rates, leading to an exponential increase in the size of data sets. Taking full advantage of these acquisition rates will require corresponding advancements in the speed and efficiency of data analytics and experimental control. A significant step forward would come from automatic decision-making methods that enable scientific instruments to autonomously explore scientific problems—that is, to intelligently explore parameter spaces without human intervention, selecting high-value measurements to perform based on the continually growing experimental data set. Here, we develop such an autonomous decision-making algorithm that is physics-agnostic, generalizable, and operates in an abstract multi-dimensional parameter space. Our approach relies on constructing a surrogate model that fits and interpolates the available experimental data, and is continuously refined as more data is gathered. The distribution and correlation of the data is used to generate a corresponding uncertainty across the surrogate model. By suggesting follow-up measurements in regions of greatest uncertainty, the algorithm maximally increases knowledge with each added measurement. This procedure is applied repeatedly, with the algorithm iteratively reducing model error and thus efficiently sampling the parameter space with each new measurement that it requests. We validate the method using synthetic data, demonstrating that it converges to faithful replica of test functions more rapidly than competing methods, and demonstrate the viability of the approach in an experimental context by using it to direct autonomous small-angle (SAXS) and grazing-incidence small-angle (GISAXS) x-ray scattering experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Optimal thickness of silicon membranes to achieve maximum thermoelectric efficiency: A first principles study

Silicon nanostructures with reduced dimensionality, such as nanowires, membranes, and thin films, are promising thermoelectric materials, as they exhibit considerably reduced thermal conductivity. Here, we utilize density functional theory and Boltzmann transport equation to compute the electronic properties of ultra-thin crystalline silicon membranes with thickness between 1 and 12 nm. We predict that an optimal thickness of ∼7 nm maximizes the thermoelectric figure of merit of membranes with native oxide surface layers. Further thinning of the membranes, although attainable in experiments, reduces the electrical conductivity and worsens the thermoelectric efficiency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Maximal clique enumeration with data-parallel primitives

The enumeration of all maximal cliques in an undirected graph is a fundamental problem arising in several research areas. We consider maximal clique enumeration on shared-memory, multi-core architectures and introduce an approach consisting entirely of data-parallel operations, in an effort to achieve efficient and portable performance across different architectures. We study the performance of the algorithm via experiments varying over benchmark graphs and architectures. Overall, we observe that our algorithm achieves up to a 33-time speedup and 9-time speedup over state-of-the-art distributed and serial algorithms, respectively, for graphs with higher ratios of maximal cliques to total cliques. Further, we attain additional speedups on a GPU architecture, demonstrating the portable performance of our data-parallel design.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2023

CFD Modeling of Bi-Directional PMD inside Cryogenic Propellant Tanks Onboard Parabolic Flights

Future cryogenic propulsion systems will require efficient methods with which to transfer cryogenic propellants from a depot storage tank to a customer receiver tank to minimize cost and maximize reusability. The Reduced Gravity Cryogenic Transfer project is currently developing advanced cryogenic fluid management technology and developing and validating new numerical models for three phases of transfer: line chilldown, tank chilldown, and tank fill. Additionally, multiple liquid nitrogen (LN 2 ) parabolic flight transfer rigs are being designed by universities and NASA to investigate the gravitational sensitivities that exist in these three technologies. In order to maximize the collection of low-g data during flights, it is required to extract as much (LN 2 as possible from the supply tank, despite variable gravity levels. The purpose of this paper is to present computational fluid dynamics (CFD) volume of fluid simulations of (LN 2 behavior in the supply tank onboard parabolic flights to validate the optimal design of a bi-directional propellant management device (PMD) using the commercial software FLOW-3D. A parametric study is conducted on the effects of gravity level, fill level, pore size, open area, thickness, and type of baffle on PMD performance. Based on results, the PMD as designed exceeds the targeted expulsion efficiency.

Jason Hartwig↗

DOE OSTI2020

Durability of Disposable N95 Mask Material When Exposed to Improvised Ozone Gas Disinfection

The principle finding of this report is that both commercial and a novel material used for N95 mask filters can endure many cycles of disinfection by ozone gas (20 ppm for 30 minutes) without detectable degradation or loss of filtration efficiency. N95 masks and surgical masks (hereafter referred to as masks) typically use a filtration material fabricated from meltblown polypropylene. To achieve maximum filtration efficiency while maintaining a reasonable pressure drop, these nonwoven fabrics are also electrostatically charged (corona discharge is the most common method used), to maximize attraction and capture of aerosols and solid particulates. Under normal circumstances, the reuse of masks is generally discouraged, but in times of crisis has become a necessity, making disinfection after each use a necessity. To be acceptable, any disinfection procedure must cause minimal degradation to the performance of the filter material. Possible performance degradation mechanisms include mechanical damage, loss of electrostatic charge, or both. One of the most practical and direct ways to measure combined mechanical and electrostatic integrity, and the subsequent ability to reuse mask filter material, is by the direct measurement of filtration efficiency. In this paper, we report that small numbers of disinfection cycles at reasonable virucidal doses of ozone do not significantly degrade the filtration efficiency of meltblown polypropylene filter material. By comparison, laundering quickly results in a significant loss of filtration efficiency and requires subsequent recharging to restore the electrostatic charge and filtration efficiency. A common assumption among biomedical scientists that ozone is far too destructive for this application. However, these direct measurements show that mask materials, specifically the filtration material, can withstand dozens of ozone disinfection cycles without any measurable degradation of filtration efficiency, nor any visible discoloration or loss of fiber integrity. The data are clear: when subjected to a virucidal dose of ozone for a much longer duration than is required for viral inactivation, there was no degradation of N95 filtration efficiency. The specific dosages of ozone needed for ~99% viral inactivation are thought to be at least 10 ppm for up to 30 minutes based upon an extensive literature review, but to standardize our testing, we consider a dose of 20 ppm for 30 minutes to be a reasonable and conservatively high ozone disinfection cycle. Finally, the material tested in this study withstood dosages of up to 200 ppm for 90 minutes, or alternatively 20 ppm for up to 36 hours, without detectable degradation, and further testing suggests that up to 30 or more disinfection cycles (at 20 ppm for 30 minutes) would result in less than a 5% loss of filtration efficiency. This report does not address the effect of ozone cycling on other mask components, such as elastics.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1976

Study of the application of advanced technologies to laminar flow control systems for subsonic transports. Volume 1: Summary

A study was conducted to evaluate the technical and economic feasibility of applying laminar flow control to the wings and empennage of long-range subsonic transport aircraft compatible with initial operation in 1985. For a design mission range of 10,186 km (5500 n mi), advanced technology laminar-flow-control (LFC) and turbulent-flow (TF) aircraft were developed for both 200 and 400-passenger payloads, and compared on the basis of production costs, direct operating costs, and fuel efficiency. Parametric analyses were conducted to establish the optimum geometry for LFC and TF aircraft, advanced LFC system concepts and arrangements were evaluated, and configuration variations maximizing the effectiveness of LFC were developed. For the final LFC aircraft, analyses were conducted to define maintenance costs and procedures, manufacturing costs and procedures, and operational considerations peculiar to LFC aircraft. Compared to the corresponding advanced technology TF transports, the 200- and 400-passenger LFC aircraft realized reductions in fuel consumption up to 28.2%, reductions in direct operating costs up to 8.4%, and improvements in fuel efficiency, in ssm/lb of fuel, up to 39.4%. Compared to current commercial transports at the design range, the LFC study aircraft demonstrate improvements in fuel efficiency up to 131%. Research and technology requirements requisite to the development of LFC transport aircraft were identified.

Sturgeon, R. F.↗

DOE OSTI2014

Efficient regime of electromagnetic emission in a plasma with counterstreaming electron beams

Efficiency of electromagnetic emission produced in a magnetized plasma with counterstreaming electron beams was investigated using both the linear kinetic theory and particle-in-cell simulations. We calculated the growth rate of the beam-plasma instability taking into account both kinetic and relativistic effects and showed that there exists a regime in which transversely propagating electromagnetic waves can be generated by the coupling of the most unstable oblique beam-driven modes. It was confirmed by numerical simulations that such a tune-up of system parameters for a specific nonlinear process can lead to a substantial increase in electromagnetic emission efficiency. It was found that electromagnetic radiation emerging from the plasma in such a regime is generated near the harmonics of the pump frequency that is determined by the typical eigenfrequency of the beam-driven modes. It was also shown that the peak emission power can reach 5% of the maximal power lost by beam electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2011

Advanced Instrumentation, Information and Control (II&C) Research and Development Facility Buildout and Project Execution of LWRS II&C Pilot Projects 1 and 3

The U.S. Department of Energy (DOE) is sponsoring research, development, and deployment on light water reactor sustainability (LWRS), in which the Idaho National Laboratory (INL) is working closely with nuclear utilities to develop technologies and solutions to help ensure the safe operational life extension of current reactors. As technologies are introduced that change the operation of the plant, the LWRS pilot projects can help identify their best-advanced uses and help demonstrate the safety of these technologies. In early testing of operator performance given these emerging technologies will ensure the safety and usability of systems prior to large-scale deployment and costly verification and validation at the plant. The aim of these collaborations, demonstrations, and approaches are intended to lessen the inertia that sustains the current status quo of today's II&C systems technology, and to motivate transformational change and a shift in strategy to a long-term approach to II&C modernization that is more sustainable. Research being conducted under Pilot Project 1 regards understanding the conditions and behaviors that can be modified, either through process improvements and/or technology deployment, to improve the overall safety and efficiency of outage control at nuclear facilities. The key component of the research in this pilot project is accessing the delivery of information that will allow researchers to simulate the control room, outage control center (OCC) information, and plant status data. The simulation also allows researchers to identify areas of opportunity where plant operating status and outage activities can be analyzed to increase overall plant efficiency. For Pilot Project 3 the desire is to demonstrate the ability of technology deployment and the subsequent impact on maximizing the 'Collective Situational Awareness' of the various stakeholders in a commercial nuclear power plant. Specifically, the desire is to show positive results in plant status control, information management, knowledge management, and 'Real-Time-Truth' as it relates to the current plant conditions. The following report includes two attachments; each attachment represents Pilot Project 1 and 3. The two attachments also provide a report on two distinct milestones that were completed and are described below: M3L11IN06030307 - Complete initiation of two pilot projects. Complete initiation of pilot projects on real-time configuration management and control to overcome limitations with existing permanent instrumentation and real-time awareness of plant configurations; two candidate projects that consider low-cost wireless technology for in situ configuration monitoring and candidate technologies and an information architecture for outage management and control will be initiated with utilities. M3L11IN06030309 - Complete data collection, R&D plans, and agreements needed to conduct the two pilot projects. Complete data collection conducted at pilot project utilities to support real-time configuration management and outage control center pilot studies conducted; R&D plan for pilot projects produced and needed agreements established to support R&D activities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Orchestrated trios: compiling for efficient communication in Quantum programs with 3-Qubit gates

Current quantum computers are especially error prone and require high levels of optimization to reduce operation counts and maximize the probability the compiled program will succeed. These computers only support operations decomposed into one- and two-qubit gates and only two-qubit gates between physically connected pairs of qubits. Typical compilers first decompose operations, then route data to connected qubits. We propose a new compiler structure, Orchestrated Trios, that first decomposes to the three-qubit Toffoli, routes the inputs of the higher-level Toffoli operations to groups of nearby qubits, then finishes decomposition to hardware-supported gates. This significantly reduces communication overhead by giving the routing pass access to the higher-level structure of the circuit instead of discarding it. A second benefit is the ability to now select an architecture-tuned Toffoli decomposition such as the 8-CNOT Toffoli for the specific hardware qubits now known after the routing pass. Furthermore, we perform real experiments on IBM Johannesburg showing an average 35% decrease in two-qubit gate count and 23% increase in success rate of a single Toffoli over Qiskit. We additionally compile many near-term benchmark algorithms showing an average 344% increase in (or 4.44x) simulated success rate on the Johannesburg architecture and compare with other architecture types.

compiler↗

DOE OSTI2022

Maximal absorption in ultrathin TiN films for microbolometer applications

Ultrathin light absorbers present a viable route toward improving the specific detectivity and response time of microbolometers. However, for an ultrathin film to absorb light efficiently, the dielectric function of the film and its thickness must satisfy strict requirements. Here we experimentally demonstrate an average absorptance of 48% ± 2.5% in the 8–13 μm (769–1250 cm -1 ) spectral range for 10 nm thick titanium nitride (TiN), a value bordering on the 50% fundamental absorptance limit for a suspended thin film. The heat capacity per unit area of this absorber is only 1.2 × 10 -6 J/K/cm 2 , which is beneficial for improving the response time of a microfabricated bolometer. We also show that a sufficient condition for reaching maximal absorption in an ultrathin film is that ε" $\gg$ |ε'|.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Sluiceway Operations to Pass Juvenile Salmonids at The Dalles Dam, Columbia River, USA

Existing ice and trash sluiceways are commonly used to pass juvenile salmonids downstream at hydropower dams through a benign, non-turbine route. At The Dalles Dam on the Columbia River, managers undertook optimizing operations of sluiceway weirs to maximize survival of juvenile salmonids at the powerhouse. We applied fixed-location hydroacoustic methods to compare fish passage rates and sluiceway efficiencies for two weir configurations during 2004 and 2005: three weirs versus six weirs, located at the mid- versus east powerhouse, respectively. We also analyzed horizontal distributions of passage at the sluiceway and turbines and the effects of operating turbines beneath open sluiceway gates to provide supporting data relevant to operations optimization. Based on the findings, we recommend the following for long-term operations for the sluiceway at The Dalles Dam: open six rather than three sluiceway weirs to take advantage of the maximum hydraulic capacity of the sluiceway; open the three weirs above the western-most operating main turbine unit (MU) and the three weirs at MU 8 where turbine passage rates are relatively high; operate the turbine units below open sluiceway weirs as a standard procedure; operate the sluiceway 24 h/d year-round to maximize its benefits to juvenile salmonids; and use the same operations for spring and summer emigrants. These operational concepts are transferable to dams where sluiceway surface flow outlets are used protect downstream migrating fishes.

juvenile salmonid passage↗

DOE OSTI2026

Enhanced accuracy through ensembling of randomly initialized auto-regressive models for dynamical systems

Computational mechanics simulations using traditional finite element methods (FEM) require prohibitively expensive computational resources for real-time engineering applications, design optimization, and digital twin implementations. While machine learning (ML) surrogate models offer significant computational speedups, autoregressive ML models for time-dependent mechanical systems suffer from error accumulation that compromises long-term prediction reliability - a critical concern for engineering applications where accuracy over extended time horizons is essential for safety and performance assessments. Here, we propose a deep ensemble framework specifically designed to address this challenge in computational mechanics applications, where multiple ML surrogate models with random weight initializations are trained in parallel and their predictions aggregated during inference. This approach leverages statistical diversity to maximize information gain from a fixed set of training data and to mitigate error propagation, while maintaining the computational efficiency that makes ML surrogates attractive for engineering practice. We validate the framework on three representative problems spanning critical areas of computational mechanics: stress field evolution in heterogeneous microstructures under complex loading (relevant to advanced materials design and composite analysis), planetary-scale shallow water dynamics (applicable to environmental and geotechnical engineering), and Gray-Scott reaction-diffusion systems (relevant to mass transport and chemical process engineering). Across all test cases, the ensemble approach demonstrates consistent error reduction of 15-33% compared to individual models. The codes for this work are available on GitHub (https://github.com/Graham-Brady-Research-Group/AutoregressiveEnsemble_SpatioTemporal_Evolution).

autoregressive prediction↗

DOE OSTI2023

Combined Stress Testing of Perovskite Solar Cells for Stable Operation in Space

Perovskite solar cells (PSCs) could provide new low-cost opportunities for powering spacecraft. Here we are designing a PSC resilient to lunar surface conditions, focusing on contact/barrier layers combinations that maximize stability. Thermal vacuum stress shows cells with gold back-contacts and SiOx protection retain >90% of initial efficiency and indium tin oxide (ITO)-contacted cells retain ~100% of initial efficiency after five months of stress. SiO x mitigates mechanical aspects of contact stress, retaining 99% of initial efficiency, whereas cells with silicone/cover glass decreased 27%. We further exposed cells to combined illumination, 75 °C heat, and 10 -6 Torr vacuum for 24 h and found that ITO-contacted cells outperformed Au-contacted cells.

14 SOLAR ENERGY↗

DOE OSTI2019

Ultraefficient thermophotovoltaic power conversion by band-edge spectral filtering

Thermophotovoltaic power conversion utilizes thermal radiation from a local heat source to generate electricity in a photovoltaic cell. It was shown in recent years that the addition of a highly reflective rear mirror to a solar cell maximizes the extraction of luminescence. This, in turn, boosts the voltage, enabling the creation of record-breaking solar efficiency. Now we report that the rear mirror can be used to create thermophotovoltaic systems with unprecedented high thermophotovoltaic efficiency. This mirror reflects low-energy infrared photons back into the heat source, recovering their energy. Therefore, the rear mirror serves a dual function; boosting the voltage and reusing infrared thermal photons. This allows the possibility of a practical >50% efficient thermophotovoltaic system. Based on this reflective rear mirror concept, we report a thermophotovoltaic efficiency of 29.1 ± 0.4% at an emitter temperature of 1,207 °C.

14 SOLAR ENERGY↗

DOE OSTI2013

A multiple-alignment based primer design algorithm for genetically highly variable DNA targets

Background: Primer design for highly variable DNA sequences is difficult, and experimental success requires attention to many interacting constraints. The advent of next-generation sequencing methods allows the investigation of rare variants otherwise hidden deep in large populations, but requires attention to population diversity and primer localization in relatively conserved regions, in addition to recognized constraints typically considered in primer design. Results: Design constraints include degenerate sites to maximize population coverage, matching of melting temperatures, optimizing de novo sequence length, finding optimal bio-barcodes to allow efficient downstream analyses, and minimizing risk of dimerization. To facilitate primer design addressing these and other constraints, we created a novel computer program (PrimerDesign) that automates this complex procedure. We show its powers and limitations and give examples of successful designs for the analysis of HIV-1 populations. Conclusions: PrimerDesign is useful for researchers who want to design DNA primers and probes for analyzing highly variable DNA populations. It can be used to design primers for PCR, RT-PCR, Sanger sequencing, next generation sequencing, and other experimental protocols targeting highly variable DNA samples.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

5G Enabled Transformative Co-design and Co-simulation Framework for Grid Decarbonization and Modernization

5G is a breakthrough technology to enable a fully mobile and connected society, and a 5G-enabled digital continuum will be one of the critical foundations for clean energy economy and grid modernization. The clean energy transformation not only requires innovative manufacturing, algorithm, application, and cross-domain co-simulation, but also a systematic evaluation and comprehensive support on the microelectronic and architectural computing customization to enable and maximize the high renewable penetration in the future power grid. The co-design of decarbonized grid, reliable yet efficient communication, and affordable yet ubiquitous computing will unlock the potential of almost any available tools for the undergoing clean energy transformation. 5G is also an opportunity to rethink the paradigm of infrastructure planning, as computing will be one of the core services for society alongside electricity and communication services.

5G↗

DOE OSTI2023

Dynamic Network Analysis of Nuclear Science Literature for Research Influence Assessment

Analyzing nuclear science literature via data-driven methods is a critical step for assessing research influence and technology advancements. Indicators of scholarly activities may be buried in large volumes of nuclear research publications and collaboration networks over time. Mining for relevant scholarly influence trends in large volumes of text can be computationally challenging; however, open-source information on research collaborations over time can offer opportunities to extract meaningful insights. While network centrality analysis of scholarly research provides topology-based insights, additional emphasis on dynamics associated with the diffusion of information through these networks is important. Here this paper represents a step in that direction through the development of a novel dynamic network analysis framework and computational engine to identify key entities and capabilities over time within global scholarly nuclear science collaboration networks. Network theoretic, stochastic simulation, and optimization methods are leveraged to address variability in scholarly interactions, influence propagation, and collaboration patterns via network connections. A topic-aware influence maximization algorithm is developed to address the goal of identifying key influential authors in diverse research topics over time. Efficient parallelized implementation of the algorithm is applied to reduce computational costs. A proof-of-concept case study using open-source Scopus data with 33,517 published nuclear research papers from 2000-2019 is presented and representative analytic insights are generated. Broad implications of these insights are discussed and future research directions are also identified.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗