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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Biomimetic mineralization of positively charged silica nanoparticles templated by thermoresponsive protein micelles: applications to electrostatic assembly of hierarchical and composite superstructures

High information content building blocks offer a path toward the construction of precision materials by supporting the organization and reconfiguration of organic and inorganic components through engineered functions. Here, we combine thermoresponsiveness with biomimetic mineralization by fusing the Car9 silica-binding dodecapeptide to the C-terminus of the (VPGVG) 54 elastin-like polypeptide (ELP). Using small angle X-ray scattering, we show that the short Car9 cationic block is sufficient to promote the conversion of disordered unimers into 30 nm micelles comprising about 150 proteins, 5 °C above the transition temperature of the ELP. While both species catalyze self-limiting silica precipitation, micelles template the mineralization of highly monodisperse (62 nm) nanoparticles, while unimers yield larger polydisperse species. Strikingly, and unlike traditional synthetic silica, these particles exhibit a positive surface charge, likely due to cationic Car9 sidechains projecting from their surface. Capitalizing on the high monodispersity and positive charge of the micelle-templated products, we use smaller silica and gold particles bearing a native negative charge to create a variety of superstructures via electrostatic co-assembly. Furthermore, this simple biomimetic route to positively charged silica eliminates the need for multiple precursors or surface modifications and enables the rapid creation of single-material and composite architectures in which components of different sizes or compositions are well dispersed and integrated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Anomalous Charge Transfer from Organic Ligands to Metal Halides in Zero‐Dimensional [(C 6 H 5 ) 4 P] 2 SbCl 5 Enabled by Pressure‐Induced Lone Pair‐π Interaction

Abstract Low‐dimensional (low‐D) organic metal halide hybrids (OMHHs) have emerged as fascinating candidates for optoelectronics due to their integrated properties from both organic and inorganic components. However, for most of low‐D OMHHs, especially the zero‐D (0D) compounds, the inferior electronic coupling between organic ligands and inorganic metal halides prevents efficient charge transfer at the hybrid interfaces and thus limits their further tunability of optical and electronic properties. Here, using pressure to regulate the interfacial interactions, efficient charge transfer from organic ligands to metal halides is achieved, which leads to a near‐unity photoluminescence quantum yield (PLQY) at around 6.0 GPa in a 0D OMHH, [(C 6 H 5 ) 4 P] 2 SbCl 5 . In situ experimental characterizations and theoretical simulations reveal that the pressure‐induced electronic coupling between the lone‐pair electrons of Sb 3+ and the π electrons of benzene ring (lp‐π interaction) serves as an unexpected “bridge” for the charge transfer. Our work opens a versatile strategy for the new materials design by manipulating the lp‐π interactions in organic–inorganic hybrid systems.

Luo, Hui↗
NASA NTRS2009

Measurements of Lunar Dust Charging Properties by Electron Impact

Dust grains in the lunar environment are believed to be electrostatically charged predominantly by photoelectric emissions resulting from solar UV radiation on the dayside, and on the nightside by interaction with electrons in the solar wind plasma. In the high vacuum environment on the lunar surface with virtually no atmosphere, the positive and negative charge states of micron/submicron dust grains lead to some unusual physical and dynamical dust phenomena. Knowledge of the electrostatic charging properties of dust grains in the lunar environment is required for addressing their hazardous effect on the humans and mechanical systems. It is well recognized that the charging properties of individual small micron size dust grains are substantially different from the measurements on bulk materials. In this paper we present the results of measurements on charging of individual Apollo 11 and Apollo 17 dust grains by exposing them to mono-energetic electron beams in the 10-100 eV energy range. The charging/discharging rates of positively and negatively charged particles of approx. 0.1 to 5 micron radii are discussed in terms of the sticking efficiencies and secondary electron yields. The secondary electron emission process is found to be a complex and effective charging/discharging mechanism for incident electron energies as low as 10-25 eV, with a strong dependence on particle size. Implications of the laboratory measurements on the nature of dust grain charging in the lunar environment are discussed.

Abbas, Mian M.↗
NASA NTRS1990

Calorimetric determination of thermal parameters for the Li/BrCl in SOCl2 (BCX) chemistry

The heat capacity of a Li-BCX DD-cell was found to be dependent on its state of charge by drop calorimetry measurements. The method of drop calorimetry involves measuring the energy (joules) gained or lost from a sample that is transferred from a bath at temperature A to one at temperature B. The thermoneutral potential is defined as the cell potential where the cell electrochemical reactions are neither exothermic nor endothermic. A Hart scientific calorimeter system, Model No. S77XX, designed for heat conduction calorimetry and drop calorimetry was used. Calorimetric analysis yielded a thermoneutral potential of 4.14 volts and a cell heat capacity dependent on the state of charge.

Darcy, Eric C.↗
DOE OSTI2024

Optimized Incorporation of Furan into Diketopyrrolopyrrole-Based Conjugated Polymers for Organic Field-Effect Transistors

Flexible electronics have received considerable attention in the past decades due to their promising application in rollable display screens, wearable devices, implantable devices, and other electronic applications. Here, in particular, conjugated polymers are favored for flexible electronics due to their mechanical flexibility and potential for solution-processed fabrication techniques, such as blade-coating, roll-to-roll printing, and high-throughput printing allowing for high-performance transistor devices. Thiophene is the prevailing conjugated unit to construct these conjugated polymers due to its favorable electronic properties. On the other hand, furans are among the few conjugated moieties that are easily derived from bio renewable resources. To promote sustainability, we selectively introduced furan into the conjugated backbone of a high-mobility polymer scaffold and systematically studied the effect on the microstructure and charge transport. We show that partially and selectively replacing thiophene units with furan can yield nearly comparable performance compared to the all-thiophene polymer. This strategy offers an improvement in the sustainability of the polymer by incorporating bio-sourced furan without sacrificing the high-performance characteristics. Meanwhile, polymers with incorrect or complete furan incorporation show reduced mobilities. This work serves to develop coherent structure–morphology–performance relationships; such knowledge will establish guidelines for the future development of sustainable, furan-based conjugated materials.

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

Tetracene Functionalized Si(111) Achieves Enhanced Solar-to-Chemical Energy Conversion via Molecular Acceptor States

The properties of semiconductor|liquid interfaces play a critical role in determining the efficiency of solar-to-hydrogen (STH) conversion. Here, we investigate how molecular functionalization of Si(111) and Si(111)|TiO 2 surfaces impacts photoelectrochemical (PEC) hydrogen production efficiency. We find that functionalization of ∼3% of the atop sites of Si(111) with either 9-anthracene (Anth) or 5-tetracene (Tet), with the remaining sites passivated by methyl groups, provides substrates with high electronic quality and low surface oxide densities, as determined by X-ray photoelectron spectroscopy (XPS) measurements. Surface photovoltage (SPV) spectroscopy shows that surfaces modified with Anth or Tet exhibit an increased photovoltage, with Tet-functionalized surfaces yielding an additional 192 meV relative to methyl-terminated Si(111), indicating improved charge separation for Si-Tet. Further improvement in onset potential was achieved by replacing a nitrogen-containing TiO 2 atomic layer deposition (ALD) precursor (TDMAT) with a precursor lacking nitrogen (TTIP), which eliminates the parasitic defect band in the TiO 2 overlayer (p-Si(111)-Tet|TTIP-TiO 2 |Pt: V OC = +0.283 ± 0.041 V vs RHE). Density functional theory (DFT) analysis demonstrates that compared with Anth-modified Si(111), the Tet-modified surface exhibits more hybridized Si(111)-Tet states closer to the silicon band edges. Mercury contact current–voltage (I–V, dark) measurements quantified the relative interfacial density of states of Si-Tet, Si-Anth and Si-Me surfaces─revealing that the interfacial state density was highest for Si-Tet. This suggests that such hybridized interfaces serve to capture better photoexcited charge, which enables facile electron transfer to molecular acceptors in solution. Altogether, the data indicate that beneficial hybrid molecular LUMO surface states interacting with the Si conduction band edge results in improved hydrogen evolution (HER) performance for p-Si devices.

Group theory↗
DOE OSTI2022

Spontaneous carrier generation and low recombination in high-efficiency non-fullerene solar cells

The current research reveals the unique photo physical properties and carrier generation mechanisms of high efficiency non-fullerene acceptor-based organic photovoltaic blends. The analysis of device performance, morphology, and photo physics reveals that the interface carrier generation cannot support the device's current output. It is seen that primary photon excitons can dissociate into charge carriers in Y6, which displays a time scale of ∼0.3 ps with polaron yields above 28% in neat and blended thin films. This characteristic in combination with a large exciton diffusion length enables high morphology tolerance in Y6-overloaded blends. The carrier generation process is also combined with recombination studies. The recombination rate quantified by flux-dependent transient absorption measurements yields less than 5% total recombination and nearly 0% geminate recombination. Furthermore, these results define the advantages of the Y6 non-fullerene acceptor (NFA) and reveal the fundamental importance of developing new NFA materials with superior photo physical properties.

14 SOLAR ENERGY↗
DOE OSTI2024

Deployment of Water-based Liquid Scintillator in the Accelerator Neutrino Neutron Interaction Experiment

The Accelerator Neutrino Neutron Interaction Experiment (ANNIE) is a 26-ton water Cherenkov neutrino detector installed on the Booster Neutrino Beam (BNB) at Fermilab. Its main physics goals are to perform a measurement of the neutron yield from neutrino-nucleus interactions, as well as a measurement of the charged-current cross section of muon neutrinos. An equally important focus is the research and development of new detector technologies and target media. Specifically, water-based liquid scintillator (WbLS) is of interest as a novel detector medium, as it allows for the simultaneous detection of Cherenkov light and scintillation. This paper presents the deployment of a 366 L WbLS vessel in ANNIE in March 2023 and the subsequent detection of both Cherenkov light and scintillation from the WbLS. Finally, this proof-of-concept allows for the future development of reconstruction and particle identification algorithms in ANNIE, as well as dedicated analyses within the WbLS volume, such as the search for neutral-current events and the hadronic scintillation component.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Theory of disordered superconductors with applications to nonlinear current response

I present a review of the theory and basic equations for charge transport in superconducting alloys starting from the Keldysh formulation of the quasiclassical transport equations developed by Eilenberger, Larkin and Ovchinnikov, and Eliashberg. This formulation is the natural extension of Landau’s theory of normal Fermi liquids to the superconducting state of strongly correlated metals. For dirty metals the transport equations reduce to equations for charge diffusion, with the current response given by the Drude conductivity at low temperatures. The extension of the diffusion equation for the charge and current response of a strongly disordered normal metal to the superconducting state yields Usadel’s equations for the nonequilibrium quasiclassical Keldysh propagator. The conditions for the applicability of the Usadel equations are discussed, the pair-breaking effect of disorder on the current response, including the nonlinear current response to an electromagnetic field in the dirty limit, τ ≪ ℏ/Δ, are reported. The same nonlinearity is shown to lead to source currents for photon generation and nonlinear Kerr rotation driven by the nonlinear response to excitation of the superconductor by a multi-mode electromagnetic field. The potential relevance of the nonlinear source currents to superconducting radio-frequency cavities as detectors of axion-like dark matter candidates is briefly discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

β -Nuclear-Recoil Correlation from $^6$$\mathrm{He}$ Decay in a Laser Trap

Here, we report the first precise measurement of a β-recoil correlation from a radioactive noble gas ( 6 He) confined via a magneto-optical trap. The measurement is motivated by the search for exotic tensor-type contributions to the charged weak current. Interpreted as tensor currents with right-handed neutrinos, the measurements yield |C T /C A | 2 ≤ 0.022 (90% confidence limit, C.L.). On the other hand, for left-handed neutrinos the limits are 0.007 < C T /C A < 0.111 (90% C.L.). The sensitivity of the present measurement is mainly limited by experimental uncertainties in determining the time response properties and the distance between the atom cloud and the microchannel plate used for recoil ion detection.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Searches for physics beyond the standard model with the M T2 variable in hadronic final states with and without disappearing tracks in proton–proton collisions at $\sqrt{s}$ = 13 TeV

Two related searches for phenomena beyond the standard model (BSM) are performed using events with hadronic jets and significant transverse momentum imbalance. The results are based on a sample of proton-proton collisions at a center-of-mass energy of 13 TeV, collected by the CMS experiment at the LHC in 2016-2018 and corresponding to an integrated luminosity of 137 fb$^{-1}$. The first search is inclusive, based on signal regions defined by the hadronic energy in the event, the jet multiplicity, the number of jets identified as originating from bottom quarks, and the value of the kinematic variable $M_\mathrm{T2}$ for events with at least two jets. For events with exactly one jet, the transverse momentum of the jet is used instead. The second search looks in addition for disappearing tracks produced by BSM long-lived charged particles that decay within the volume of the tracking detector. No excess event yield is observed above the predicted standard model background. This is used to constrain a range of BSM models that predict the following: the pair production of gluinos and squarks in the context of supersymmetry models conserving $R$-parity, with or without intermediate long-lived charginos produced in the decay chain; the resonant production of a colored scalar state decaying to a massive Dirac fermion and a quark; or the pair production of scalar and vector leptoquarks each decaying to a neutrino and a top, bottom, or light-flavor quark. In most of the cases, the results obtained are the most stringent constraints to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Real-time time-dependent density functional theory in Quantum Espresso and related codes

A set of subroutines that interact with an existing computer program, Quantum Espresso (QE), that takes a set of electronic orbitals from QE and propagates them forward in time in response to a number of perturbations. These perturbations include the motion of ions and a wide spectrum of applied electromagnetic fields (e.g., static magnetic fields, slowly-varying electric fields, x-rays, etc.). From the time evolution of the electronic orbitals comes time-varying values of physical observables like the electronic charge and current densities and atomic forces. These are further post-processed to yield properties of interest like stopping powers, conductivities, and the dynamic structure factor. The electronic orbitals are described in a plane wave basis and the equations of motion are carried out using a unitary or approximately unitary time propagation algorithm. Related work will include subroutines for interfacing this capability, as well as others that already exist within QE, with a fork of QE that is more extensible and modular.SAND2019-12611 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Baczewski, Andrew↗
DOE OSTI2023

The Gallium Anomaly and the BEST Experiment [Slides]

The measurements of the charged-current capture rate of neutrinos on 71 Ga from strong radioactive sources have yielded results below those expected, based on the known strength of the principal transition supplemented by theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Deployment of Water-Based Liquid Scintillator in ANNIE

ANNIE is a 26-ton water Cherenkov detector at Fermilab. Its main physics goals are to perform a measurement of the neutron yield from neutrino-nucleus interactions, as well as a measurement of the charged-current cross section of muon neutrinos. An equally important focus is the research and development of new detector technologies and target media. Specifically, water-based liquid scintillator (WbLS) is of interest as a novel detector medium, as it allows for the simultaneous detection of Cherenkov light and scintillation. This poster discusses the deployment of a WbLS filled vessel SANDI in ANNIE and the detection of both Cherenkov light and scintillation from the WbLS.

43 PARTICLE ACCELERATORS↗
NASA NTRS1982

Charge exchange in the Io torus and exosphere

Charge-exchange cross sections and their velocity dependence have been estimated for the most important reactions in the Io torus and exosphere. The methods used for calculating the cross sections are given and discussed in some detail. For symmetric-resonant single and double charge exchange, the cross sections are slowly varying functions of velocity. For inelastic charge-exchange collisions, the transition probabilities into a given final state can depend critically on velocity. Models are described which can be used to estimate both the most rapid charge-exchange processes and those states which play an important role. Calculated cross sections are used to obtain reaction rates as a function of radial position, demonstrating the importance of charge exchange in the inner torus. Charge-exchange reactions of torus ions with molecular species in Io's exosphere may yield a net supply of neutrals and plasma to the torus.

Johnson, R. E.↗
NASA NTRS1997

Charge Transfer Between Ground-State Si(3+) and He at Electron-Volt Energies

The charge-transfer rate coefficient for the reaction Si(3+)(3s(sup 2)S) + He yields products is measured by means of a combined technique of laser ablation and ion storage. A cylindrical radio-frequency ion trap was used to store Si(3+) ions produced by laser ablation of solid silicon targets. The rate coefficient of the reaction was derived from the decay rate of the ion signal. The measured rate coefficient is 6.27(exp +0.68)(sub -0.52) x 10(exp -10)cu cm/s at T(sub equiv) = 3.9 x 10(exp 3)K. This value is about 30% higher than the Landau-Zener calculation of Butler and Dalgarno and is larger by about a factor of 3 than the recent full quantal calculation of Honvault et al.

Fang, Z.↗
NASA NTRS2009

Fuel-Cell Power Systems Incorporating Mg-Based H2 Generators

Two hydrogen generators based on reactions involving magnesium and steam have been proposed as means for generating the fuel (hydrogen gas) for such fuel-cell power systems as those to be used in the drive systems of advanced motor vehicles. The hydrogen generators would make it unnecessary to rely on any of the hydrogen storage systems developed thus far that are, variously, too expensive, too heavy, too bulky, and/or too unsafe to be practical. The two proposed hydrogen generators are denoted basic and advanced, respectively. In the basic hydrogen generator (see figure), steam at a temperature greater than or equals 330 C would be fed into a reactor charged with magnesium, wherein hydrogen would be released in the exothermic reaction Mg + H2O yields MgO + H2. The steam would be made in a flash boiler. To initiate the reaction, the boiler could be heated electrically by energy borrowed from a storage battery that would be recharged during normal operation of the associated fuel-cell subsystem. Once the reaction was underway, heat from the reaction would be fed to the boiler. If the boiler were made an integral part of the hydrogen-generator reactor vessel, then the problem of transfer of heat from the reactor to the boiler would be greatly simplified. A pump would be used to feed water from a storage tank to the boiler.

Kindler, Andrew↗
NASA NTRSDate not supplied

Recent Advances in Structural Carbon Nanotube Composites

Carbon nanotubes (CNT) have been a subject of investigation for more than two decades. Part of the interest in CNTs was driven by CNT tensile mechanical properties at the nanoscale that suggest their potential to outperform state-of-the-art (SOA) lightweight structural materials. Early work on the development of CNT nanocomposites involved the dispersion of CNT powder into polymer matrices. Although low levels of CNT doping resulted in meaningful increases in electrical conductivity to enable applications such as electrostatic charge dissipation, the highest concentrations of CNTs in these lightly doped nanocomposites did not yield mechanical properties that could compete with SOA carbon fiber composites. The maximum concentration of CNTs in lightly doped nanocomposites was limited to about 5% due to increases in viscosity that prevent the fabrication of good quality nanocomposites. At the lower concentrations, properties of the resulting nanocomposites were analogous to those of composites made with very short, chopped carbon fibers. About ten years ago, CNTs became available in continuous fiber form, allowing the investigation of processing methods to incorporate much higher CNT content into composites. Recent developments in CNT composite fabrication have yielded improved mechanical properties and indicate that while some standard carbon fiber composite processing methods can be used, CNTs have unique microstructural features that require techniques tailored to access the hierarchical features of CNTs. This presentation will discuss the evolution of structural CNT mechanical property advancements and collaboration mechanisms for research across federal labs, academia, and industry that accelerated the maturation of structural CNTs.

Carbon Nanotubes↗