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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Dissociative Recombination without a Curve Crossing

Ab initio calculations show that a curve crossing is not always needed for a high dissociative- recombination cross section. For HeH(+), in which no neutral states cross the ion potential curve, dissociative recombination is driven by the nuclear kinetic-energy operator on adiabatic potential curves. The kinetic-energy derivative operator allows for capture into repulsive curves that are outside of the classical turning points for the nuclear motion. The dominant dissociative route is the C (2)Sigma(+) state leading to H(n = 2) atoms. An analogous mechanism is proposed for the dissociative recombination of H3(+).

Guberman, Steven L.↗
NASA NTRS1995

The Dissociative Recombination of OH(+)

Theoretical quantum chemical calculations of the cross sections and rates for the dissociative recombination of the upsilon = 0 level of the ground state of OH(+) show that recombination occurs primarily along the 2 (2)Pi diabatic route. The products are 0((1)D) and a hot H atom with 6.1 eV kinetic energy. The coupling to the resonances is very small and the indirect recombination mechanism plays only a minor role. The recommended value for the rate coefficient is (6.3 +/- 0.7) x 10(exp -9)x (T(e)/1300)(exp -0.48) cu.cm/s for 10 less than T(e) less than 1000 K.

Guberman, Steven L.↗
NASA NTRS1997

Mid Infrared Hydrogen Recombination Line Emission from the Maser Star MWC 349A

We have detected and spectrally resolved the mid-IR hydrogen recombination lines H6(alpha)(12.372 micrometers), H7(alpha)(19.062 micrometers), H7(beta)(l1.309 micrometers) and H8(gamma)(12.385 micrometers) from the star MWC349A. This object has strong hydrogen maser emission (reported in the millimeter and submillimeter hydrogen recombination lines from H36(alpha) to H21(alpha)) and laser emission (reported in the H15(alpha), H12(alpha) and H10(alpha) lines). The lasers/masers are thought to arise predominantly in a Keplerian disk around the star. The mid-IR lines do not show evident signs of lasing, and can be well modeled as arising from the strong stellar wind, with a component arising from a quasi-static atmosphere around the disk, similar to what is hypothesized for the near IR (less than or equal to 4 micrometers) recombination lines. Since populations inversions in the levels producing these mid-IR transitions are expected at densities up to approximately 10(exp 11)/cu cm, these results imply either that the disk does not contain high-density ionized gas over long enough path lengths to produce a gain approximately 1, and/or that any laser emission from such regions is small compared to the spontaneous background emission from the rest of the source as observed with a large beam. The results reinforce the interpretation of the far-IR lines as true lasers.

Smith, Howard A.↗
NASA NTRS2005

Review of HxPyOz-Catalyzed H + OH Recombination in Scramjet Nozzle Expansions; and Possible Phosphoric Acid Enhancement of Scramjet Flameholding, from Extinction of H3PO4 + H2 - Air Counterflow Diffusion Flames

Recent detailed articles by Twarowski indicate that small quantities of phosphorus oxides and acids in the fuel-rich combustion products of H2 + phosphine (PH3) + air should significantly catalyze H, OH and O recombination kinetics during high-speed nozzle expansions -- to reform H2O, release heat, and approach equilibrium more rapidly and closely than uncatalyzed kinetics. This paper is an initial feasibility study to determine (a) if addition of phosphoric acid vapor (H3PO4) to a H2 fuel jet -- which is much safer than using PH3 -- will allow combustion in a high-speed scramjet engine test without adverse effects on localized flameholding, and (b) if phosphorus-containing exhaust emissions are environmentally acceptable. A well-characterized axisymmetric straight-tube opposed jet burner (OJB) tool is used to evaluate H3PO4 addition effects on the air velocity extinction limit (flame strength) of a H2 versus air counterflow diffusion flame. Addition of nitric oxide (NO), also believed to promote catalytic H-atom recombination, was evaluated for comparison. Two to five mass percent H3PO4 in the H2 jet increased flame strength 4.2%, whereas airside addition decreased it 1%. Adding 5% NO to the H2 caused a 2% decrease. Products of H-atom attack on H3PO4 produced an intense green chemiluminescence near the stagnation point. The resultant exothermic production of phosphorus oxides and acids, with accelerated H-atom recombination, released sufficient heat near the stagnation point to increase flame strength. In conclusion, the addition of H3PO4 vapor (or more reactive P sources) to hydrogen in scramjet engine tests may positively affect flameholding stability in the combustor and thrust production during supersonic expansion -- a possible dual benefit with system design / performance implications. Finally, a preliminary assessment of possible environmental effects indicates that scramjet exhaust emissions should consist of phosphoric acid aerosol, with gradual conversion to phosphate aerosol. This is compared to various natural abundances and sources.

Pellett, Gerald↗
NASA NTRS2009

Narrow Radiative Recombination Continua: A Signature of Ions Crossing the Contact Discontinuity of Astrophysical Shocks

X-rays from planetary nebulae (PNs) are believed to originate from a shock driven into the fast stellar wind (v ~ 1000 kilometers per second) as it collides with an earlier circumstellar slow wind (v ~ 10 kilometers per second). In theory, the shocked fast wind (hot hubble) and the ambient cold nebula can remain separated by magnetic fields along a surface referred to as the contact discontinuity (CD) that inhibits diffusion and heat conduction. The CD region is extremely difficult to probe directly owing to its small size and faint emission. This has largely left the study of CDs, stellar-shocks, and the associated micro-physics in the realm of theory. This paper presents spectroscopic evidence for ions from the hot bubble (kT approximately equal to 100 eV) crossing the CD and penetrating the cold nebular gas (kT approximately equal to 1 eV). Specifically, a narrow radiative recombination continuum (RRC) emission feature is identified in the high resolution X-ray spectrum of the PN BD+30degree3639 indicating bare C VII ions are recombining with cool electrons at kT(sub e) = 1.7 plus or minus 1.3 eV. An upper limit to the flux of the narrow RRC of H-like C VI is obtained as well. The RRCs are interpreted as due to C ions from the hot bubble of BD+30degree3639 crossing the CD into the cold nebula, where they ultimately recombine with its cool electrons. The RRC flux ratio of C VII to C VI constrains the temperature jump across the CD to deltakT greater than 80 eV, providing for the first time direct evidence for the stark temperature disparity between the two sides of an astrophysical CD, and constraining the role of magnetic fields and heat conduction accordingly. Two colliding-wind binaries are noted to have similar RRCs suggesting a temperature jump and CD crossing by ions may be common feature of stellar wind shocks.

Behar, Ehud↗
NASA NTRS2007

Recombinant Collagenlike Proteins

A group of collagenlike recombinant proteins containing high densities of biologically active sites has been invented. The method used to express these proteins is similar to a method of expressing recombinant procollagens and collagens described in U. S. Patent 5,593,859, "Synthesis of human procollagens and collagens in recombinant DNA systems." Customized collagenous proteins are needed for biomedical applications. In particular, fibrillar collagens are attractive for production of matrices needed for tissue engineering and drug delivery. Prior to this invention, there was no way of producing customized collagenous proteins for these and other applications. Heretofore, collagenous proteins have been produced by use of such biological systems as yeasts, bacteria, and transgenic animals and plants. These products are normal collagens that can also be extracted from such sources as tendons, bones, and hides. These products cannot be made to consist only of biologically active, specific amino acid sequences that may be needed for specific applications. Prior to this invention, it had been established that fibrillar collagens consist of domains that are responsible for such processes as interaction with cells, binding of growth factors, and interaction with a number of structural proteins present in the extracellular matrix. A normal collagen consists of a sequence of domains that can be represented by a corresponding sequence of labels, e.g., D1D2D3D4. A collagenlike protein of the present invention contains regions of collagen II that contain multiples of a single domain (e.g., D1D1D1D1 or D4D4D4D4) chosen for its specific biological activity. By virtue of the multiplicity of the chosen domain, the density of sites having that specific biological activity is greater than it is in a normal collagen. A collagenlike protein according to this invention can thus be made to have properties that are necessary for tissue engineering.

Fertala, Andzej↗
DOE OSTI2020

CdSexTe1-x /CdTe Devices With Reduced Interface Recombination Through Novel Back Contacts and Doping Strategies

In order to study rear interface recombination in CdSexTe1-x/CdTe solar cells, several back contact structures were fabricated using combinations of tellurium, alumina, amorphous silicon, and indium tin oxide. Film side Time-Resolved Photoluminescence measurements were taken to measure carrier lifetimes and interface recombination at the back interface. We show increasingly improved interface passivation through the subsequent use of alumina, amorphous silicon, and ITO. Additionally, we provide evidence that an arsenic-doped absorber forms a better interface with numerous back contact structures. Reductions in the back interface recombination velocity are shown to correlate with improvements in device external radiative efficiency.

13 HYDRO ENERGY↗
DOE OSTI2024

Recombinant LAC polynucleotides and uses thereof to increase production of C-lignin in plants

The disclosure provides recombinant LAC polynucleotides encoding a laccase (LAC) polypeptide capable of polymerizing caffeyl alcohol, vectors and cells including the recombinant LAC polynucleotide. The disclosure also provides transgenic plants including cells having the recombinant LAC polynucleotide of the present disclosure and methods of increasing production of C-lignin in a plant.

Dixon, Richard A.↗
DOE OSTI2026

Hydrogen Recombiner Catalyst Evaluations for Waste Storage

Radiolysis of water in nuclear waste storage generates hydrogen gas that can accumulate within sludge style waste and be rapidly released during agitation events, creating a significant flammability hazard. Engineering controls are therefore required to limit hydrogen concentrations during both quiescent storage and transient disturbances. Catalytic recombination of hydrogen in waste storage offgas is a proven mitigation strategy, maintaining hydrogen levels below flammability limits and managing sudden concentration spikes. Conventional recombiners rely on platinum and/or palladium catalysts, with development efforts focused on extending service life, increasing active surface area, and ensuring safe deployment in radioactive environments. Savannah River National Laboratory (SRNL) is evaluating a newly developed hydrogen recombiner catalyst from Canadian Nuclear Laboratories as a cost-effective and durable alternative for nuclear waste applications. Testing was conducted in SRNL’s Shielded Cells facility, which enables reduced-scale experimental modeling under radiation fields and near-use-case conditions relevant to radioactive waste storage. Catalyst performance was evaluated using a custom offgas characterization system designed for near-zero flow conditions. The experimental apparatus consisted of a gas-tight 2.7 L PTFE vessel equipped with temperature monitoring, gas flow controls, and a variable-speed mixer to simulate sludge agitation. Offgas composition was monitored using a dedicated gas chromatograph with argon carrier gas and a krypton internal standard. Measurements were obtained for an empty vessel, the vessel containing a well characterized radioactive tank waste sample, and the same configuration with the candidate catalyst installed. Results demonstrate that the new catalyst effectively reduced hydrogen concentrations in the offgas within the constraints of the experimental design. In addition to confirming catalytic activity, the testing provided valuable insights into experimental optimization and considerations for future performance evaluations. These findings support the potential scalability of the technology and highlight its applicability to broader nuclear waste management operations, offering improved safety and reduced operational costs through enhanced catalyst durability and lower replacement frequency.

Tener, Zachary P. [Savannah River National Laborat↗
DOE OSTI2025

Self-Trapped-Exciton Radiative Recombination in β–Ga 2 O 3 : Impact of Two Concurrent Nonradiative Auger Processes

The peculiarities of radiative and nonradiative processes associated with self-trapped intrinsic eXcitons in the excited β-Ga 2 O 3 crystals are studied via time-resolved techniques of induced absorption, transient grating, and photoluminescence (PL) at room temperature. The excitation above the bandgap is produced by laser pulses with linear light polarization parallel and orthogonal in the (–201) and (001) planes. We elucidate that the nonradiative recombination rate occurring in the eXciton prevails over its radiative emission rate in a wide range of free carrier concentration composed of excited and equilibrium electrons. Hence, the nonradiative recombination has no effect on the strong anisotropy and the shape of the eXciton emission band. However, we find out that the conventional ABC model of electron effective lifetime is insufficient for explanation of the excitation dependences. Inclusion of two nonradiative Auger mechanisms in a modified ABC formula provides excellent agreement of these dependences. We conclude that the trap-assisted Auger process is in proportion to the free electron density with coefficient B = 1.1 × 10 –11 cm 3 /s and appears at low/intermediate excitation, while the triple-particle Auger process is in proportion to Δn 2 with coefficient C = 8 × 10 –30 cm 6 /s and appears at high excitation conditions. The transition between two Auger mechanisms is accompanied by a rise of the eXciton diffusivity in preferred crystallographic directions where the radiative PL intensity is maximal. The diffusion length LD in these directions can reach values ~300 nm, but, at high excitations, LD becomes limited by Auger lifetimes. These findings pave the way for the implementation of self-trapped eXcitons into specific optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Carrier confinement and alloy disorder exacerbate Auger–Meitner recombination in AlGaN ultraviolet light-emitting diodes

The quantum efficiency of AlGaN ultraviolet light-emitting diodes declines (droops) at increasing operating powers due to Auger–Meitner recombination (AMR). Using first-principles density-functional theory, we show that indirect AMR mediated by electron–phonon coupling and alloy disorder can induce bulk C coefficients as large as ~10 –31 cm 6 /s. Furthermore, we find that the confinement of carriers by polarization fields within quantum wells severely relaxes crystal-momentum conservation, which exacerbates the rate of AMR over radiative recombination by an order of magnitude relative to the bulk. Furthermore, this results in a striking decrease in quantum efficiency at high power. Suppressing polarization fields and jointly increasing the well width would greatly mitigate AMR and efficiency droop.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Smart culture medium optimization for recombinant protein production: Experimental, modeling, and AI/ML-driven strategies

Recombinant protein production (RPP) is central to biotechnology, where recombinant proteins are used as either end products or catalysts in the synthesis of chemicals, fuels, and materials. Among the major cost drivers, culture medium plays a pivotal role in determining protein yield and quality. This review presents a comprehensive perspective on the critical stages of “smart” culture medium optimization: planning, screening, modeling, optimization, and validation. In the planning stage, we examine the nutritional and energetic roles of medium components, including carbon, nitrogen, amino acids, salts, and trace metals, and their impacts on culture parameters such as pH, oxidative state, and osmolality. We highlight the variability in trace metal content due to water sources, culture vessels, and raw materials, which can substantially influence RPP. The screening stage covers Design of Experiments (DoE) approaches, assessing their theoretical basis, implementation, and limitations. For modeling, we describe methods that integrate experimental data to develop predictive models for smart medium formulation. Model-based optimization strategies can then be employed to select optimal media compositions for a given application. The validation stage aims to evaluate model predictions and provide feedback for model training and refinement. Finally, we survey mechanistic and artificial intelligence/machine learning (AI/ML)-driven models as integrated, transformational tools for predictive modeling of bioprocess conditions, nutrient availability, cellular metabolism, and protein quality, with the goal of optimizing culture media to enhance protein yields while reducing costs and environmental impact. We conclude by addressing the challenges of translating laboratory-scale medium optimization to industrial-scale settings and exploring future AI/ML-driven approaches that may overcome current bottlenecks and accelerate medium design for RPP. Overall, this review provides a unified framework for advancing smart medium design in RPP.

Artificial Intelligence/Machine Learning (AI/ML)↗
DOE OSTI2022

Novel cis-regulatory elements as synthetic promoters to drive recombinant protein expression from the Chlamydomonas reinhardtii nuclear genome

Eukaryotic green microalgae represent a sustainable, photosynthetic biotechnology platform for generating high-value products. The model green alga Chlamydomonas reinhardtii has already been used to generate high value bioproducts such as recombinant proteins and terpenoids. However, low, unstable, and variable nuclear transgene expression has limited the ease and speed of metabolic engineering and recombinant protein expression in this system. Here, novel genetic devices for transgene expression in C. reinhardtii have been developed by identifying cis-regulatory DNA elements capable of driving high transgene expression in C. reinhardtii promoters using de novo motif discovery informatics approaches. Thirteen putative motifs were synthesized as concatemers, linked to a common minimal basal promoter, and assayed for their activity to drive expression of a yellow fluorescent protein reporter gene. Following transformation of the vectors into C. reinhardtii by electroporation, in vivo measurements of yellow fluorescent protein expression by flow cytometry revealed that five of the DNA motifs analyzed displayed significantly higher reporter expression compared to the basal promoter control. Two of the concatemerized motifs, despite being much smaller minimal cis-regulatory elements, drove reporter expression at levels approaching that of the conventionally-used AR1 promoter. This analysis provides insight into C. reinhardtii promoter structure and gene regulation, and provides a new toolbox of cis-regulatory elements that can be used to drive transgene expression at a variety of expression levels.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Acceleration of Biexciton Radiative Recombination at Low Temperature in CdSe Nanoplatelets

Colloidal semiconductor nanocrystals offer bandgap tunability, high photoluminescence quantum yield, and colloidal processing of benefit to optoelectronics, however rapid nonradiative Auger recombination (AR) deleteriously affects device efficiencies at elevated excitation intensities. AR is understood to transition from temperature-dependent behavior in bulk semiconductors to temperature-independent behavior in zero-dimensional quantum dots (QDs) as a result of discretized band structure that facilitates satisfaction of linear momentum conservation. For nanoplatelets (NPLs), two-dimensional morphology renders prediction of photophysical behaviors challenging. Here, in this study, we investigate and compare the temperature dependence of excited-stated lifetime and fluence-dependent emission of CdSe NPLs and QDs. For NPLs, upon temperature reduction, biexciton lifetime surprisingly decreases (even becoming shorter lived than trion emission) and emission intensity increases nearly linearly with fluence rather than saturating, consistent with dominance of radiative recombination rather than AR. CdSe NPLs thus differ fundamentally from core-only QDs and foster increased utility of photogenerated excitons and multiexcitons at low temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

CdSe Magic-Size Clusters Deviate from Nanocrystal-Size Scalings for Ultrafast Intraband Relaxation and Auger Recombination

The cluster regime of colloidal semiconductor quantum dots (QDs) occupies an interesting space on the continuum from molecule to bulk material and allow the study of QD properties at extreme quantum confinement limits. For typical QDs, several size-dependent property trends are well established including intraband relaxation rates and universal scaling of Auger recombination with particle volume. Advances in synthesis now allow isolation of atomically precise semiconductor magic-size clusters (MCs), which offer experimental insight regarding how electronic structure changes with particle size in the ultrasmall limit. Here, we report intraband cooling and Auger recombination for several stable CdSe MCs as a function of particle size and observe deviation from QD response in the cluster regime. We additionally show optical signatures ascribed to transient disordering 2 that appear in the single exciton regime for MCs, which point to complexities regarding their implementation.

Auger recombination↗
DOE OSTI2023

Green Additive Limits Runaway Crystallinity in PM6:Y6 Organic Solar Cells but Causes Field-Independent Geminate Recombination

Solvent additives are well-established for improving device performance of organic solar cells by enhancing nanodomain phase separation and crystallization. However, optimum additive concentrations are typically at trace amounts with slight fluctuations causing runaway crystallinity that short the device and limit scale-up potential. Furthermore, we show that a nonhalogenated solvent additive 1-phenylnaphthalene (PN) can be used to optimize high-performance PM6:Y6 devices, but without runaway crystallinity even at concentrations 10× above the optimum. Our holistic analysis of device losses shows that PN increases photoabsorption while decreasing bimolecular recombination. However, above the optimum, charge generation is reduced due to field-independent geminate recombination of charge transfer states that overcomes the other benefits. Rotated Y6 crystallite orientation is a likely culprit, where the device electric field is ineffective at separating the charges. Despite this, device performance remains higher than that of traditional additives, indicating a route to avoiding the high sensitivity of performance to processing conditions.

14 SOLAR ENERGY↗
DOE OSTI2021

Impact of Photon Recycling, Grain Boundaries, and Nonlinear Recombination on Energy Transport in Semiconductors

Energy carrier transport and recombination in semiconductors can be directly monitored with optical microscopy, revealing key insights into fundamental photophysics and informs efficient optoelectronic device design. Oftentimes, energy transport is measured by monitoring a time-resolved expanding carrier profile after optical excitation under a focused laser beam. Although this approach has gained widespread adoption, the presence of competing dynamic processes, such as diffusion and photon recycling, has made it difficult to accurately extract and understand important semiconductor properties. Here, we develop and apply a new framework for modeling energy transport in both excitonic and free carrier semiconductors. Here, we demonstrate that processes such as nonlinear recombination and photon recycling can have a significant impact on the apparent energy carrier profiles, especially for excitonic materials with short radiative lifetimes. Additionally, we find that film microstructure can lead to unique transport profiles that strongly depends on material boundary behavior and the difference between feature size and diffusion length. Here, these findings provide a deeper understanding of energy transport in semiconducting materials and provide new strategies for the design and optimization of electronic and optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Strain dependence of Auger recombination in 3 μm GaInAsSb/GaSb type-I active regions

We differentiate the effect of strain induced by lattice-mismatched growth from strain induced by mechanical deformation on cubic nonradiative Auger recombination in narrow-gap GaInAsSb/GaSb quantum well (QW) heterostructures. The typical reduction in the Auger coefficient observed with lattice-mismatched growth appears to be due to the concomitant compositional change rather than the addition of strain, with implications for mid-IR semiconductor laser design. We induced a range of internal compressive strain in five samples from -0.90% to -2.07% by varying the composition during the growth and mechanically induced a similar range of internal strain in analogous quantum well membrane samples. We performed time-resolved photoluminescence and differential reflectivity measurements to extract the carrier recombination dynamics, taken at 300 K with carrier densities from 2.7 × 10 18 cm -3 to 1.4 × 10 19 cm -3 . We observed no change with strain in the cubic Auger coefficient of samples that were strained mechanically, but we did observe a trend with strain in samples that were strained by the QW alloy composition. Measured Auger coefficients ranged from 3.0 × 1 0 - 29 cm 6 s -1 to 3.0 × 1 0 - 28 cm 6 s -1 .

36 MATERIALS SCIENCE↗