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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Silicon-Based Optical Modulator with Ferroelectric Layer

According to a proposal, a silicon dioxide layer in a high-speed, low-power, silicon- based electro-optical modulator would be replaced by a layer of lead zirconate titanate or other ferroelectric oxide material. The purpose of this modification is to enhance the power performance and functionality of the modulator. In its unmodified form, the particular silicon- based electro-optical modulator is of an advanced design that overcomes the speed limitation of prior silicon-based electro- optical modulators. Whereas modulation frequencies of such devices had been limited to about 20 MHz, this modulator can operate at modulation frequencies as high as 1 GHz. This modulator can be characterized as a silicon-waveguide-based metal oxide/semiconductor (MOS) capacitor phase shifter in which modulation of the index of refraction in silicon is obtained by exploiting the free-charge-carrier-plasma dispersion effect. As shown in the figure, the modulator includes an n-doped crystalline silicon slab (the silicon layer of a silicon- on-insulator wafer) and a p-doped polycrystalline silicon rib with a gate oxide layer (the aforementioned silicon dioxide layer) sandwiched between them. Under accumulation conditions, the majority charge carriers in the silicon waveguide modify the index of refraction so that a phase shift is induced in the optical mode propagating in the waveguide. The advantage of using an MOS capacitor phase shifter is that it is possible to achieve high modulation speed because there are no slow carrier-generation or -recombination processes involved in the accumulation operation. The main advantage of the proposed substitution of a ferroelectric oxide layer for the silicon dioxide layer would arise from the spontaneous polarization effect of the ferroelectric layer: This spontaneous polarization would maintain accumulation conditions in the absence of applied voltage. Consequently, once the device had been switched to a given optical state, it would remain in that state, even in the absence of applied voltage (in other words, even with power turned off). A secondary advantage is that because the ferroelectric layer would have an index of refraction larger than that of silicon dioxide, there could be some reduction of optical losses attributable to fabrication of the modulator

Sheldon, Douglas↗
DOE OSTI2020

A Nonlocal-Gradient Descent Method for Inverse Design in Nanophotonics

Local-gradient-based optimization approaches lack nonlocal exploration abilityrequired for escaping from local minima when searching non-convex landscapes.A directional Gaussian smoothing (DGS) approach was recently proposed in [29]and used to define a truly nonlocal gradient, referred to as the DGS gradient, inorder to enable nonlocal exploration in high-dimensional black-box optimization.Promising results show that replacing the traditional local gradient with the nonlocalDGS gradient can significantly improve the performance of gradient-based methodsin optimizing highly multi-modal loss functions. However, the current DGS methodis designed for unbounded and uncontrained optimization problems, making itinapplicable to real-world engineering optimization problems where the tuningparameters are often bounded and the loss function is usually constrained byphysical processes. In this work, we propose to extend to the DGS approachto the constrained inverse design framework in order to find better optima ofmulti-modal loss functions. A series of adaptive strategies for smoothing radiusand learning rate updating are developed to improve the computational efficiencyand robustness. Our methodology is demonstrated by an example of designing ananoscale wavelength demultiplexer, and shows superior performance compared tothe state-of-the-art approaches. By incorporating volume constraints, the optimizeddesign achieves an equivalently high performance but significantly reduces theamount of material usage.

Bi, Sirui↗
DOE OSTI2022

ATR Firewater Pump Replacement

The objective of this project is to replace two faulty firewater pumps at INL's Advanced Test Reactor (ATR). Around ATR, firewater pumps can serve from one to all three of these functions: emergency core injection, emergency canal makeup, and firefighting. Both pumps serve firefighting functions but one also serves the function of emergency canal makeup, a nuclear function, so it is required to go through nuclear grade dedication. Both pumps are currently in the process of being procured.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1992

Micro Electric Propulsion Feasibility

Miniature, 50 kg class, strategic satellites intended for extended deployment in space require an on-board propulsion capability to perform needed attitude control adjustments and drag compensation maneuvers. Even on such very small spacecraft, these orbit maintenance functions can be significant and result in a substantial propellant mass requirement. Development of advanced propulsion technology could reduce this propellant mass significantly, and thereby maximize the payload capability of these spacecraft. In addition, spacecraft maneuverability could be enhanced and/or multi-year mission lifetimes realized. These benefits cut spacecraft replacement costs, and reduce services needed to maintain the launch vehicles. For SDIO brilliant pebble spacecraft, a miniaturized hydrazine propulsion system provides both boost and divert thrust control. This type of propulsion system is highly integrated and is capable of delivering large thrust levels for short time periods. However, orbit maintenance functions such as drag make-up require only very small velocity corrections. Using the boost and/or divert thrusters for these small corrections exposes this highly integrated propulsion system to continuous on/off cycling and thereby increases the risk of system failure. Furthermore, since drag compensation velocity corrections would be orders of magnitude less than these thrusters were designed to deliver, their effective specific impulse would be expected to be lower when operated at very short pulse lengths. The net result of these effects would be a significant depletion of the on-board hydrazine propellant supply throughout the mission, and a reduced propulsion system reliability, both of which would degrade the interceptors usefulness. In addition to SDIO brilliant pebble spacecraft, comparably small spacecraft can be anticipated for other future strategic defense applications such as surveillance and communication. For such spacecraft, high capability and reliability, minimal detectability and low cost are requirements. All these miniature spacecraft share a common characteristic: because of their on-board electronic equipment they have, by design, solar order 50-100 W. In a relative sense, such spacecraft are power rich when compared to other larger spacecraft. This power rich situation is offset by very tight mass budgets, which make reductions in propellant mass requirements a key issue in meeting overall spacecraft minimum mass goals. In principle, power rich and propellant poor brilliant pebbles class spacecraft can benefit from using high specific impulse electric propulsion to reduce chemical propellant mass requirements. However, at power levels of order 50 W, arcjets cannot be made to function, ion thrusters are too complex and heavy and resistojets have too low a specific impulse. Recognizing these capability limitations in existing electric propulsion technology, the SDIO/IST sponsored the Phase I SBIR Micro Electric Propulsion (MEP) thruster study described in this report. The objective of this study was to examine the feasibility of developing a very simple, low mass and small volume, electric thruster for operation on hydrazine at less than 100 W of input power. The feasibility of developing such a MEP thruster was successfully demonstrated by EPL by the discovery of a novel plasma acceleration process. The sections in this report summarize the approach, test results and major accomplishments of this proof-of-concept program.

Aston, Graeme↗
DOE OSTI2020

Supporting Bioproducts Industry Growth with a System Dynamics Decision-Support Tool

A bio-based economy requires chemical products as well as fuels to be produced from biomass. Although a variety of universities, government agencies, start-ups and established firms have engaged in bioproduct development, many projects have failed to reach the point of commercialization and commercialized bioproducts struggle to capture and maintain market share. To date, there has been no general research into the factors that contribute to bioproduct failure or success. This work presents the Bioproduct Transition Dynamics (BTD) system dynamics model, a decision-support tool that simulates the bioproduct development process from pre-piloting research through construction of the first commercial-scale plant, as well as the processes of obtaining funding from investors and government agencies. The core of the BTD is a feedback loop between bioproduct developers and funders, which relates development progress measured with indicators such as net present value to funders’ decisions to continue investing. External factors such as feedstock prices, market size and growth, and the existence of bioproduct consumers also influence a development project’s chances of receiving follow-on funding. Virtually any bioproduct can be represented with the BTD: direct replacements, performance-advantaged products, niche and commodity markets can all be modeled. The goal of the BTD project is to inform decisions made by developers in both established firms and start-ups, investors, government agencies, and other stakeholders interested in growing the nascent U.S. bioproducts industry. This talk will cover the general structure and functionality of the BTD, and present results from an analysis performed with the BTD to demonstrate its use as a decision-support tool and the insights it can provide. The goal of the analysis is to identify the most critical factors that lead to direct replacement and performance-advantaged bioproduct projects emerging successfully from the “Valley of Death”, and to determine if these factors differ between the two bioproduct types.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Large-momentum effective theory

Since the parton model was introduced by Feynman more than 50 years ago, much has been learned about the partonic structure of the proton through a large body of high-energy experimental data and dedicated global fits. However, limited progress has been made in calculating partonic observables such as the parton distribution function (PDFs) from the fundamental theory of strong interactions, quantum chromodynamics (QCD). Recently some advocated for a formalism, large-momentum effective theory (LaMET), through which one can extract parton physics from the properties of the proton traveling at a moderate boost factor such as γ ~ 2 – 5 . The key observation behind this approach is that Lorentz symmetry allows the standard formalism of partons in terms of light-front operators to be replaced by an equivalent one with large-momentum states and time-independent operators of a universality class. With LaMET, the PDFs, generalized PDFs or generalized parton distributions, transverse-momentum-dependent PDFs, and light-front wave functions can all be extracted in principle from lattice simulations of QCD (or other nonperturbative methods) through standard effective field theory matching and running. Future lattice QCD calculations with exascale computational facilities could help one to understand the experimental data related to the hadronic structure, including those from the upcoming electron-ion colliders dedicated to exploring the partonic landscape of the proton. In this work, the progress made in the past few years in the development of the LaMET formalism and its applications is reviewed, with an emphasis on a demonstration of its effectiveness from initial lattice QCD simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Chemical Recommender System: Replacement Suggestions for Small Molecules

The Chemical Recommender System (CRS) is an open-source, high-performance toolkit that enables real-time similarity searches across the complete PubChem database (over 50 million molecules) using commodity hardware. The CRS addresses critical limitations in existing chemical informatics platforms through a novel vector database infrastructure, extensible model integration capabilities, and complete algorithmic transparency. The system implements a vector database deployment with partitioned indexing that achieves a ~60x speedup over traditional approaches. A containerized model integration framework allows researchers to seamlessly incorporate custom predictive models into the full-scale search and scoring pipeline, while complete configurability of search parameters, filtering logic, and scoring functions provides capabilities not available in existing black-box solutions. Beyond structural similarity, the CRS integrates OPERA QSAR models for thermophysical and toxicity predictions, RDKit synthetic accessibility scoring, and user-defined models to compute weighted final replacement scores. The complete system is accessible through an interactive web application supporting real-time progress monitoring, post-processing score re-weighting, automated PDF reporting, and batch processing capabilities.

Nair, Parthiv Anand [Sandia National Laboratories ↗
DOE OSTI2021

Fluctuations analysis of spin susceptibility: Néel ordering revisited in dynamical mean field theory

Here in this paper, we revisit the antiferromagnetic (AF) phase diagram of the single-band three-dimensional half-filled Hubbard model on a simple cubic lattice studied within the dynamical mean field theory (DMFT). Although this problem has been investigated extensively in the literature, a comprehensive understanding of the impact of the different one- and, in particular, two-particle local correlation functions of DMFT on the AF transition temperature is still missing. We have, hence, performed a fluctuation analysis of T N with respect to different local bosonic fluctuations (charge, spin, particle-particle) contained in the two-particle vertex of DMFT. Our results indicate that, beyond weak coupling, the screening of the DMFT vertex by local fluctuations leads to an enhancement of T N with respect to a random phase approximation (RPA) like calculation where this vertex is replaced by the bare interaction. The overall suppression of T N in DMFT with respect to RPA is then solely due to the incoherence introduced by the DMFT self-energy in the one-particle Green's functions. This illustrates the Janus-faced role of the local moment formation in the DMFT solution of the Hubbard model, which leads to completely opposite effects in the one- and two-particle correlation functions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Recent Advances in the Application of Functionalized Lignin in Value-Added Polymeric Materials

The quest for converting lignin into high-value products has been continuously pursued in the past few decades. In its native form, lignin is a group of heterogeneous polymers comprised of phenylpropanoids. The major commercial lignin streams, including Kraft lignin, lignosulfonates, soda lignin and organosolv lignin, are produced from industrial processes including the paper and pulping industry and emerging lignocellulosic biorefineries. Although lignin has been viewed as a low-cost and renewable feedstock to replace petroleum-based materials, its utilization in polymeric materials has been suppressed due to the low reactivity and inherent physicochemical properties of lignin. Hence, various lignin modification strategies have been developed to overcome these problems. Herein, we review recent progress made in the utilization of functionalized lignins in commodity polymers including thermoset resins, blends/composites, grafted functionalized copolymers and carbon fiber precursors. In the synthesis of thermoset resins such as polyurethane, phenol-formaldehyde and epoxy, they are covalently incorporated into the polymer matrix, and the discussion is focused on chemical modifications improving the reactivity of technical lignins. In blends/composites, functionalization of technical lignins is based upon tuning the intermolecular forces between polymer components. In addition, grafted functional polymers have expanded the utilization of lignin-based copolymers to biomedical materials and value-added additives. Different modification approaches have also been applied to facilitate the application of lignin as carbon fiber precursors, heavy metal adsorbents and nanoparticles. These emerging fields will create new opportunities in cost-effectively integrating the lignin valorization into lignocellulosic biorefineries.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Simulation of the NuScale SMR and Investigation of the Effect of Load-Following on Component Lifetimes

The NuScale SMR has been modelled using the Virtual Environment for Reactor Applications (VERA) multiphysics environment and the results compared with the publicly reported data in the Design Certification Application (DCA). The results show an excellent agreement for the compared axial and radial power distributions, temperature coefficients of reactivity, boron and control rod worths, and fast neutron flux. This NuScale model is then used to investigate the effect of different operational modes on reactor components to determine how flexible load-following operation may affect control rod and reactor pressure vessel (RPV) lifetimes. The control rod degradation is confirmed to primarily affect the silver-indium-cadmium (AIC) rod tip. The degradation rate is observed to follow a non-linear function of core power level where the increase in degradation decreases with insertion depth. For the variation in core power levels expected with current load-following schemes, the total control rod degradation is found to be mild, at 5-10% of usable life per cycle for a reactor operating at <80% power. Nonetheless, this enables load following strategies to be confirmed and/or modified to ensure that control rods do not need to be replaced during the 60+ year life of the reactor. The RPV degradation was found to be almost directly proportional to the core power level and was not overly sensitive to flux shape perturbations. Future work is planned using these damage functions to optimize operation over multiple NuScale SMR units and develop strategies for prognostics and health management.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Integrating Arctic Plant Functional Types in a Land Surface Model Using Above‐ and Belowground Field Observations

Abstract Accurate simulations of high‐latitude ecosystems are critical for confident Earth system model (ESM) projections of carbon cycle feedbacks to global climate change. Land surface model components of ESMs, including the E3SM Land Model (ELM), simulate vegetation growth and ecosystem responses to changing climate and atmospheric CO 2 concentrations by grouping heterogeneous vegetation into like sets of plant functional types (PFTs). Many such models represent high‐latitude vegetation using only two PFTs (shrub and grass), thereby missing the diversity of vegetation growth forms and functional traits in the Arctic. Here, we use field observations of biomass and leaf traits across a gradient of plant communities on the Seward Peninsula in northwest Alaska to replace the original ELM configuration for the first time with nine Arctic‐specific PFTs. The newly developed PFTs include: (1) nonvascular mosses and lichens, (2) deciduous and evergreen shrubs of various height classes, including an alder PFT, (3) graminoids, and (4) forbs. Improvements relative to the original model configuration included greater belowground biomass allocation, persistent fine roots and rhizomes of nonwoody plants, and better representation of variability in total plant biomass across sites with varying plant communities and depth to bedrock. Simulations through 2100 using the RCP8.5 climate scenario and constant PFT fractional areas showed alder‐dominated plant communities gaining more biomass and lichen‐dominated communities gaining less biomass compared to default PFTs. Our results highlight how representing the diversity of arctic vegetation and confronting models with measurements from varied plant communities improves the representation of arctic vegetation in terrestrial ecosystem models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Smooth Dispersion Is Physically Appropriate: Assessing and Amending the D4 Dispersion Model

The addition of dispersion corrections to density functionals is essential for accurate energy and geometry predictions. Among them, the D4 scheme is popular due to its low computational cost and high accuracy. However, due to its design, the D4 correction can occasionally lead to anomalies, such as unphysical curvature and bumps in the potential energy surface. We find these anomalies are common in the D4 model, although observable consequences are rarer than in the D3 model for reasons we explain. Nevertheless, we uncover instances of unphysical local minima and stationary points with the D4 scheme and propose two solutions that yield smoother dispersion energy as a function of nuclear position. One is trivial to implement, based on a smoother reparametrization of Gaussian weighting (D4S) to find the effective coordination number. The other replaces Gaussian weighting with soft linear interpolation (D4SL). These new approaches usually remove artificial extremum points, while maintaining accuracy.

Tkachenko, Nikolay V↗
DOE OSTI2024

Iron-molybdenum cofactor synthesis by a thermophilic nitrogenase devoid of the scaffold NifEN

The maturation and installation of the active site metal cluster (FeMo-co, Fe 7 S 9 CMo- R -homocitrate) in Mo-dependent nitrogenase requires the protein product of the nifB gene for production of the FeS cluster precursor (NifB-co, [Fe 8 S 9 C]) and the action of the maturase complex composed of the protein products from the nifE and nifN genes. However, some putative diazotrophic bacteria, like Roseiflexus sp. RS-1, lack the nifEN genes, suggesting an alternative pathway for maturation of FeMo-co that does not require NifEN. In this study, the Roseiflexus NifH, NifB, and apo-NifDK proteins produced in Escherichia coli are shown to be sufficient for FeMo-co maturation and insertion into the NifDK protein to achieve active nitrogenase. The E. coli expressed NifDK RS contained P-clusters but was devoid of FeMo-co (referred to as apo-NifDK RS ). Apo-NifDK RS could be activated for N 2 reduction by addition of preformed FeMo-co. Further, it was found that apo-NifDK RS plus E. coli produced NifB RS and NifH RS were sufficient to yield active NifDK RS when incubated with the necessary substrates (homocitrate, molybdate, and S -adenosylmethionine [SAM]), demonstrating that these proteins can replace the need for NifEN in maturation of Mo-nitrogenase. The E. coli produced NifH RS and NifB RS proteins were independently shown to be functional. The reconstituted NifDK RS demonstrated reduction of N 2 , protons, and acetylene in ratios observed for Azotobacter vinelandii NifDK. These findings reveal a distinct NifEN-independent pathway for nitrogenase activation involving NifH RS , NifB RS , and apo-NifDK RS .

Payá-Tormo, Lucía↗
DOE OSTI2023

Entangled Photon Pair Source Demonstrator Using the Quantum Instrumentation Control Kit System

Here, we report the first demonstration of using the Quantum Instrumentation and Control Kit (QICK) system on RFSoC-FPGA technology to drive the electro-optic intensity modulator that generate time-bin entangled photon pairs and to detect the photon signals. With the QICK system, we achieve high levels of performance metrics including coincidence-to-accidental ratio exceeding 150, and entanglement visibility exceeding 95%, consistent with performance metrics achieved using conventional waveform generators. We also demonstrate simultaneous detector readout using the digitization functional of QICK, achieving internal system synchronization time resolution of 3.2 ps. The work reported in this paper represents an explicit demonstration of the feasibility for replacing commercial waveform generators and time taggers with RFSoC-FPGA technology in the operation of a quantum network, representing a cost reduction of more than an order of magnitude.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Quantum Instrumentation and Control Kit (QICK) for Quantum Networks

We report the first demonstration of using the Quantum Instrumentation and Control Kit (QICK) system on RFSoC FPGA technology to drive an entangled photon pair source and to detect the photon signals. With the QICK system, we achieve high levels of performance metrics including coincidence-to-accidental ratio exceeding 150, and entanglement visibility exceeding 95%, consistent with performance metrics achieved using conventional waveform generators. We also demonstrate simultaneous detector readout using the digitization functional of QICK, achieving internal system synchronization time resolution of 3.2 ps. The work reported in this paper represents an explicit demonstration of the feasibility for replacing commercial waveform generators and time taggers with RFSoC-FPGA technology in the operation of a quantum network, representing a cost reduction of more than an order of magnitude.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1991

Program Processes SAR Data

MacMultiview is interactive software tool for Macintosh II family of computers enabling one to display, and make computations using, polarimetric radar data collected by Jet Propulsion Laboratory's imaging SAR (synthetic-aperture radar) polarimeter system. Provides two basic functions: synthesis of polarimetric images and computation of polarization signatures. System includes single-frequency L-band sensor mounted on NASA CV990 aircraft and its replacement, multifrequency P-, L-, and C-band sensors mounted on NASA DC-8 airplane. Written in C.

Norikane, Lynne↗
NASA NTRS1991

Waste water processing technology for Space Station Freedom - Comparative test data analysis

Comparative tests were conducted to choose the optimum technology for waste water processing on SSF. A thermoelectric integrated membrane evaporation (TIMES) subsystem and a vapor compression distillation subsystem (VCD) were built and tested to compare urine processing capability. Water quality, performance, and specific energy were compared for conceptual designs intended to function as part of the water recovery and management system of SSF. The VCD is considered the most mature and efficient technology and was selected to replace the TIMES as the baseline urine processor for SSF.

Miernik, Janie H.↗
NASA NTRS1997

Surfactant/Supercritical Fluid Cleaning of Contaminated Substrates

CFC's and halogenated hydrocarbon solvents have been the solvents of choice to degrease and otherwise clean precision metal parts to allow proper function. Recent regulations have, however, rendered most of these solvents unacceptable for these purposes. New processes which are being used or which have been proposed to replace these solvents usually either fail to remove water soluble contaminants or produce significant aqueous wastes which must then be disposed of. In this work, a new method for cleaning surfaces will be investigated. Solubility of typical contaminants such as lubricating greases and phosphatizing bath residues will be studied in several surfactant/supercritical fluid solutions. The effect of temperature, pressure, and the composition of the cleaning mixture on the solubility of oily, polar, and ionic contaminants will be investigated. A reverse micellar solution in a supercritical light hydrocarbon solvent will be used to clean samples of industrial wastes. A reverse micellar solution is one where water is dissolved into a non-polar solvent with the aid of a surfactant. The solution will be capable of dissolving both water-soluble contaminants and oil soluble contaminants. Once the contaminants have been dissolved into the solution they will be separated from the light hydrocarbon and precipitated by a relatively small pressure drop and the supercritical solvent will be available for recycle for reuse. The process will be compared to the efficacy of supercritical CO2 cleaning by attempting to clean the same types of substrates and machining wastes with the same contaminants using supercritical CO2. It is anticipated that the supercritical CO2 process will not be capable of removing ionic residues.

White, Gary L.↗