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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Emergent Above-Gap Photoluminescence in Molecularly Engineered Hybrid Bilayer Crystals

Bilayer crystals, built by stacking two-dimensional (2D) covalent monolayers, give rise to coupled excitonic states whose properties are constrained by fixed lattice symmetry and orientation. Replacing one covalent monolayer with a 2D molecular crystal––held together by non-covalent forces––overcomes this limitation, as molecular functional groups afford tunable in-plane lattice geometry, intermolecular spacing, and interlayer coupling, providing a powerful knob for exciton engineering. Here, in this study, we report four-atom-thick hybrid bilayer crystals (HBCs) synthesized by directly growing single-crystalline PDI molecular crystal atop WS 2 monolayers, which exhibit a robust photoluminescence (PL) peak 120 meV above the WS 2 optical band gap alongside a belowgap emission. Both peaks display strong polarization anisotropy—nearing unity for the above-gap emission—and maintain a perfectly linear power-law dependence up to an excitation density of ~10 7 mW/cm 2 , indicative of coexisting localized and delocalized excitonic states. Substituting PDI with a PTCDA monolayer on WS 2 fully quenches PL, demonstrating molecular control over excitonic emission. Lattice scale ab initio GW and GW-BSE calculations reveal a significantly hybridized bilayer band structure in PDI/WS 2 that supports interlayer excitonic species both above and below the WS 2 gap with strong polarization anisotropy, in excellent agreement with experiment. Our work introduces a molecule-based bilayer platform for the bottom-up design and control of excitonic phenomena in atomically thin optoelectronic and quantum materials.

2D materials↗
DOE OSTI2021

Light–matter coupling in large-area van der Waals superlattices

Two-dimensional (2D) crystals have renewed opportunities in design and assembly of artificial lattices without the constraints of epitaxy. However, the lack of thickness control in exfoliated van der Waals (vdW) layers prevents realization of repeat units with high fidelity. Recent availability of uniform, wafer-scale samples permits engineering of both electronic and optical dispersions in stacks of disparate 2D layers with multiple repeating units. In this study, we present optical dispersion engineering in a superlattice structure comprising alternating layers of 2D excitonic chalcogenides and dielectric insulators. By carefully designing the unit cell parameters, we demonstrate greater than 90% narrow band absorption in less than 4 nm of active layer excitonic absorber medium at room temperature, concurrently with enhanced photoluminescence in square-centimetre samples. These superlattices show evidence of strong light–matter coupling and exciton–polariton formation with geometry-tuneable coupling constants. Our results demonstrate proof of concept structures with engineered optical properties and pave the way for a broad class of scalable, designer optical metamaterials from atomically thin layers.

2D Crystals↗
DOE OSTI2022

2021 Site Environmental Report

The cover for this year’s 2021 Site Environmental Report recounts the removal of the High Flux Beam Reactor (HFBR) Stack. The Stack served as an exhaust for the Brookhaven Research Reactor (BGRR), from 1950 to 1968 and for the HFBR from 1965 to 1999. Historical operations from both facilities resulted in radiological contamination of the interior of the Stack. Under the direction of the Department of Energy (DOE), the U.S. Army Corps of Engineers oversaw the demolition and decommissioning of the HFBR Stack at BNL. Olgoonik-FPM Joint Venture was contracted to plan the work, safely dismantle the HFBR Stack, and properly dispose of all waste.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Multi-level, forming and filament free, bulk switching trilayer RRAM for neuromorphic computing at the edge

CMOS-RRAM integration holds great promise for low energy and high throughput neuromorphic computing. However, most RRAM technologies relying on filamentary switching suffer from variations and noise, leading to computational accuracy loss, increased energy consumption, and overhead by expensive program and verify schemes. We developed a filament-free, bulk switching RRAM technology to address these challenges. We systematically engineered a trilayer metal-oxide stack and investigated the switching characteristics of RRAM with varying thicknesses and oxygen vacancy distributions to achieve reliable bulk switching without any filament formation. We demonstrated bulk switching at megaohm regime with high current nonlinearity, up to 100 levels without compliance current. We developed a neuromorphic compute-in-memory platform and showcased edge computing by implementing a spiking neural network for an autonomous navigation/racing task. Our work addresses challenges posed by existing RRAM technologies and paves the way for neuromorphic computing at the edge under strict size, weight, and power constraints.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Targeted disruption of pi–pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity

Lectins, carbohydrate-binding proteins, have been regarded as potential antiviral agents, as some can bind glycans on viral surface glycoproteins and inactivate their functions. However, clinical development of lectins has been stalled by the mitogenicity of many of these proteins, which is the ability to stimulate deleterious proliferation, especially of immune cells. We previously demonstrated that the mitogenic and antiviral activities of a lectin (banana lectin, BanLec) can be separated via a single amino acid mutation, histidine to threonine at position 84 (H84T), within the third Greek key. The resulting lectin, H84T BanLec, is virtually non-mitogenic but retains antiviral activity. Decreased mitogenicity was associated with disruption of pi–pi stacking between two aromatic amino acids. To examine whether we could provide further proof-of-principle of the ability to separate these two distinct lectin functions, we identified another lectin, Malaysian banana lectin (Malay BanLec), with similar structural features as BanLec, including pi–pi stacking, but with only 63% amino acid identity, and showed that it is both mitogenic and potently antiviral. We then engineered an F84T mutation expected to disrupt pi–pi stacking, analogous to H84T. As predicted, F84T Malay BanLec (F84T) was less mitogenic than wild type. However, F84T maintained strong antiviral activity and inhibited replication of HIV, Ebola, and other viruses. The F84T mutation disrupted pi–pi stacking without disrupting the overall lectin structure. These findings show that pi–pi stacking in the third Greek key is a conserved mitogenic motif in these two jacalin-related lectins BanLec and Malay BanLec, and further highlight the potential to rationally engineer antiviral lectins for therapeutic purposes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Elucidating the Role of Dimensionality on the Electronic Structure of the Van der Waals Antiferromagnet NiPS 3

Abstract The sustained interest in investigating magnetism in the 2D limit of insulating antiferromagnets is driven by the possibilities of discovering, or engineering, novel magnetic phases through layer stacking. However, due to the difficulty of directly measuring magnetic interactions in 2D antiferromagnets, it is not yet understood how intra layer magnetic interactions in insulating , strongly correlated, materials can be modified through layer proximity. Herein, the impact of reduced dimensionality in the model van der Waals antiferromagnet NiPS 3 is explored by measuring electronic excitations in exfoliated samples using Resonant Inelastic X‐ray Scattering (RIXS). The resulting spectra shows systematic broadening of NiS 6 multiplet excitations with decreasing layer count from bulk down to three atomic layers (3L). It is shown that these trends originate from a decrease in transition metal‐ligand and ligand–ligand hopping integrals, and by charge‐transfer energy evolving from Δ = 0.83 eV in the bulk to 0.37 eV in 3L NiPS 3 . Relevant intralayer magnetic exchange integrals computed from the electronic parameters exhibit a decrease in the average interaction strength with thickness. This study underscores the influence of inter layer electronic interactions on intra layer ones in insulating magnets, indicating that magnetic Hamiltonians in few‐layer insulating magnets can greatly deviate from their bulk counterparts.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Solvent Polarity Independent Symmetry-Breaking Charge Separation in a Slip-Stacked Covalent Terrylene Monoimide Dimer

The design of organic materials capable of efficient photoinduced charge separation in low-polarity environments is a critical challenge for advancing organic photovoltaics. Symmetry-breaking charge separation (SB-CS) offers a promising route to efficient charge separation with minimal energy loss; however, in conventional organic materials this process typically relies on polar solvents to stabilize the charge-separated state. Here, we investigate a slip-stacked terrylene monoimide dimer (TMI 2 ) engineered with intrinsic electronic asymmetry to circumvent this limitation. We demonstrate through a comprehensive suite of ultrafast spectroscopic techniques that TMI 2 undergoes remarkably efficient SB-CS regardless of solvent polarity enabled by the permanent dipole moment of TMI and the accessible intramolecular charge-transfer (ICT) character of its monomer units. Furthermore, analysis of vibronic coherences reveals that the initial state mixing is actively driven by a 193 cm –1 intermolecular mode, while the final SB-CS state is marked by a distinct vibrational fingerprint of the radical ion pair product. Our findings reveal how the intrinsic electronic asymmetry of the TMI monomers that constitute TMI 2 creates an efficient charge separation pathway that precludes the need for external stabilization from a polar solvent. Here, this work establishes a powerful molecular design principle for leveraging intrinsic monomeric asymmetry to achieve efficient charge separation in low-dielectric environments, with significant implications for the development of next-generation organic optoelectronic materials.

Aromatic compounds↗
NASA NTRS1994

Proton exchange membrane fuel cells for space and electric vehicle applications: From basic research to technology development

The proton exchange membrane fuel cell (PEMFC) is one of the most promising electrochemical power sources for space and electric vehicle applications. The wide spectrum of R&D activities on PEMFC's, carried out in our Center from 1988 to date, is as follows (1) Electrode Kinetic and Electrocatalysis of Oxygen Reduction; (2) Optimization of Structures of Electrodes and of Membrane and Electrode Assemblies; (3) Selection and Evaluation of Advanced Proton Conducting Membranes and of Operating Conditions to Attain High Energy Efficiency; (4) Modeling Analysis of Fuel Cell Performance and of Thermal and Water Management; and (5) Engineering Design and Development of Multicell Stacks. The accomplishments on these tasks may be summarized as follows: (1) A microelectrode technique was developed to determine the electrode kinetic parameters for the fuel cell reactions and mass transport parameters for the H2 and O2 reactants in the proton conducting membrane. (2) High energy efficiencies and high power densities were demonstrated in PEMFCs with low platinum loading electrodes (0.4 mg/cm(exp 2) or less), advanced membranes and optimized structures of membrane and electrode assemblies, as well as operating conditions. (3) The modeling analyses revealed methods to minimize mass transport limitations, particularly with air as the cathodic reactant; and for efficient thermal and water management. (4) Work is in progress to develop multi-kilowatt stacks with the electrodes containing low platinum loadings.

Srinivasan, Supramaniam↗
NASA NTRS2009

Astronaut Thermal Exposure: Re-Entry After Low Earth Orbit Rescue Mission

The STS-125 mission, launched May 11, 2009, is the final servicing mission to the Hubble Space Telescope. The repair mission's EVA tasks are described, including: installing a new wide field camera; installing the Cosmic Origins Spectrograph; repairing the Space Telescope Imaging Spectrograph; installing a new outer blanket layer; adding a Soft Capture and Rendezvous System for eventual controlled deorbit in about 2014; replacing the 'A' side Science Instrument Command and Data Handling module; repairing the Advanced Camera for surveys; and, replacing the rate sensor unit gyroscopes, fine guidance sensors and 3 batteries. Additionally, the Shuttle crew cabin thermal environment is described. A CFD model of per person CO2 demonstrates a discrepancy between crew breathing volume and general mid-deck levels of CO2. A follow-on CFD analysis of the mid-deck temperature distribution is provided. Procedural and engineering mitigation plans are presented to counteract thermal exposure upon reentry to the Earth atmosphere. Some of the procedures include: full cold soak the night prior to deorbit; modifying deck stowage to reduce interference with air flow; and early securing of avionics post-landing to reduce cabin thermal load prior to hatch opening. Engineering mitigation activities include modifying the location of the aft starboard ICUs, eliminating the X3 stack and eliminating ICU exhaust air directed onto astronauts; improved engineering data of ICU performance; and, verifying the adequacy of mid-deck temperature control using CFD models in addition to lumped parameter models. Post-mitigation CFD models of mid-deck temperature profiles and distribution are provided.

Gillis, David B.↗
NASA NTRS1998

The Human Mars Mission: Transportation Assessment

If funding is available, and for NASA planning purposes, the Human Mars Mission (HMM) is baselined to take place during the 2011 and 2013/2014 Mars opportunities. Two cargo flights will leave for Mars during the first opportunity, one to Mars orbit and the second to the surface, in preparation for the crew during the following opportunity. Each trans-Mars injection (TMI) stack will consist of a cargo/payload portion (currently coming in at between 65 and 78 mt) and a nuclear thermal propulsion (NTP) stage (currently coming in at between 69 and 77 mt loaded with propellant) for performing the departure ΔVs to get on to the appropriate Mars trajectories. Three 66,700 N thrust NTP engines comprise the TMI stage for each stack and perform a ΔV ranging from 3580 to 3890 m/s as required by the trajectory (with gravity losses and various performance margins added to this for the total TMI ΔV performed). This paper will discuss the current application of this NTP stage to a Human Mars mission, and project what implications a nuclear trans-Earth injection (TEI) stage as well as a bi-modal NTP stage could mean to a human visit to Mars.

Mars missions↗
NASA NTRS2012

Development and Applications of a Stage Stacking Procedure

The preliminary design of multistage axial compressors in gas turbine engines is typically accomplished with mean-line methods. These methods, which rely on empirical correlations, estimate compressor performance well near the design point, but may become less reliable off-design. For land-based applications of gas turbine engines, off-design performance estimates are becoming increasingly important, as turbine plant operators desire peaking or load-following capabilities and hot-day operability. The current work develops a one-dimensional stage stacking procedure, including a newly defined blockage term, which is used to estimate the off-design performance and operability range of a 13-stage axial compressor used in a power generating gas turbine engine. The new blockage term is defined to give mathematical closure on static pressure, and values of blockage are shown to collapse to curves as a function of stage inlet flow coefficient and corrected shaft speed. In addition to these blockage curves, the stage stacking procedure utilizes stage characteristics of ideal work coefficient and adiabatic efficiency. These curves are constructed using flow information extracted from computational fluid dynamics (CFD) simulations of groups of stages within the compressor. Performance estimates resulting from the stage stacking procedure are shown to match the results of CFD simulations of the entire compressor to within 1.6% in overall total pressure ratio and within 0.3 points in overall adiabatic efficiency. Utility of the stage stacking procedure is demonstrated by estimation of the minimum corrected speed which allows stable operation of the compressor. Further utility of the stage stacking procedure is demonstrated with a bleed sensitivity study, which estimates a bleed schedule to expand the compressors operating range.

Kulkarni, Sameer↗
DOE OSTI2019

A high-capacity gene stacking toolkit for the oleaginous microalga, Nannochloropsis oceanica CCMP1779

Nannochloropsis oceanica CCMP1779 is an oleaginous heterokont microalga that is particularly amenable to synthetic biology approaches. The underlying complex genetic engineering often requires the expression of multiple transgenes (gene stacking). We integrated several techniques into a vector toolkit for multi-gene expression, including: multiple resistance marker genes, bidirectional promoters, and assembly of multiple expression cassettes into a single vector. We developed a series of gateway entry and destination vectors for assembly of two bidirectional promoter expression cassettes, which facilitates combinatorial high-capacity gene stacking. Several endogenous bidirectional promoters were demonstrated to be effective for driving transgene expression, with a dual-luciferase reporter system used to monitor transgene expression under different environmental conditions. The bidirectional promoter between the nitrate reductase and the nitrate transporter genes drives nitrogen source dependent transcription, enabling conditional transgene expression. Lethal concentrations of the antibiotics, Blasticidin, G418, and Nourseothricin, were determined and the corresponding marker genes used for genomic transformation selection.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2007

A Microfabricated Segmented-Involute-Foil Regenerator for Enhancing Reliability and Performance of Stirling Engines

An actual-size microfabricated regenerator comprised of a stack of 42 disks, 19 mm diameter and 0.25 mm thick, with layers of microscopic, segmented, involute-shaped flow channels was fabricated and tested. The geometry resembles layers of uniformly-spaced segmented-parallel-plates, except the plates are curved. Each disk was made from electro-plated nickel using the LiGA process. This regenerator had feature sizes close to those required for an actual Stirling engine but the overall regenerator dimensions were sized for the NASA/Sunpower oscillating-flow regenerator test rig. Testing in the oscillating-flow test rig showed the regenerator performed extremely well, significantly better than currently used random-fiber material, producing the highest figures of merit ever recorded for any regenerator tested in that rig over its approximately 20 years of use.

Ibrahim, Mounir↗
NASA NTRS1940

Experimental Determination of Exhaust Gas Thrust, Special Report

This investigation presents the results of tests made on a radial engine to determine the thrust that can be obtained from the exhaust gas when discharged from separate stacks and when discharged from the collector ring with various discharge nozzles. The engine was provided with a propeller to absorb the power and was mounted on a test stand equipped with scales for measuring the thrust and engine torque. The results indicate that at full open throttle at sea level, for the engine tested, a gain in thrust horsepower of 18 percent using separate stacks, and 9.5 percent using a collector ring and discharge nozzle, can be expected at an air speed of 550 miles per hour.

Pinkel, Benjamin↗
DOE OSTI2025

Quantum Software Engineering (Dagstuhl Seminar 24512)

The Dagstuhl Seminar 24512 on "Quantum Software Engineering" was held from December 15 to 20, 2024. It brought together 26 participants from industry and academia from 13 different countries, including senior and junior researchers as well as practitioners in the field of Quantum Software Engineering. The aim of the seminar was to advance software engineering methods and tools for the engineering of hybrid quantum systems by promoting personal interaction and open discussion among researchers who are already working in this emerging area of knowledge. The first day of the seminar was devoted to the topic "When software engineering meets quantum mechanics", while the second day focused on "Quantum software engineering and its challenges." During both days, 16 invited presentations were given. The rest of the seminar was organized into three working groups to address the topics "Quantum Software Design, Modelling and Architecturing", "Adaptive Hybrid Quantum Systems", and "Quantum Software Quality Assurance". The seminar was a very fruitful experience for all participants both in terms of scientific outcomes and in terms of the personal relationships that were generated to jointly address future experiences.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Solid Oxide Fuel Cell/Gas Turbine Hybrid Cycle Technology for Auxiliary Aerospace Power

A notional 440 kW auxiliary power unit has been developed for 300 passenger commercial transport aircraft in 2015AD. A hybrid engine using solid-oxide fuel cell stacks and a gas turbine bottoming cycle has been considered. Steady-state performance analysis during cruise operation has been presented. Trades between performance efficiency and system mass were conducted with system specific energy as the discriminator. Fuel cell performance was examined with an area specific resistance. The ratio of fuel cell versus turbine power was explored through variable fuel utilization. Area specific resistance, fuel utilization, and mission length had interacting effects upon system specific energy. During cruise operation, the simple cycle fuel cell/gas turbine hybrid was not able to outperform current turbine-driven generators for system specific energy, despite a significant improvement in system efficiency. This was due in part to the increased mass of the hybrid engine, and the increased water flow required for on-board fuel reformation. Two planar, anode-supported cell design concepts were considered. Designs that seek to minimize the metallic interconnect layer mass were seen to have a large effect upon the system mass estimates.

Steffen, Christopher J., Jr.↗
DOE OSTI2024

Summary of Stack Tests at TA-16-Bldg 205: Horizontal Duct on WETF Roof

In late 2023 and early 2024, testing was done at the Weapons Engineering Tritium Facility (WETF) rooftop exhaust duct to verify that the stack sample location was in compliance with the ANSI standard for stack sampling, ANSI N13.1-1999. This ANSI standard is called out by the Clean Air Act rules for airborne radionuclide emissions from DOE facilities, 40 CFR 61 Subpart H. This sample location is designated 16020504, indicating Technical Area 16, Building 0205. The rooftop duct formerly discharged to Exhaust Stack 04, but in 2007 it was re-routed to exhaust out Building 0450, Exhaust Stack 05. For continuity, we have kept the 16020504 designation to represent this duct sample location.

54 ENVIRONMENTAL SCIENCES↗