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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Observations of double layer-like and soliton-like structures in the ionosphere

Two types of large electric field signatures, individual pulses and pulse trains, were observed on a sounding rocket launched into the afternoon auroral zone on January 21, 1982. The typical electric fields in the individual pulses were 50 mV/m or larger, aligned mostly parallel to B, and the corresponding potentials were at leat 100 mV (kT approximately 0.3 eV). A lower limit of 15 km/sec can be set on the velocity of these structures, indicating that they were not ion acoustic double layers. The pulse trains, each consisting of on the order of 100 pulses, were observed in close association with intense plasma frequency waves. This correlation is consistent with the interpretation of these trains as Langmuir solitons. The pulse trains correlate better with the intensity of the field-aligned currents than with the energetic electron flux.

Boehm, M. H.↗
DOE OSTI2014

The formation and electronic properties of hydrogenated bilayer silicene from first-principles

Density-functional calculations of the formation and electronic properties of bilayer silicene and hydrogenated bilayer silicene are present. The structure optimization and phonon calculations are carried out to demonstrate that bilayer silicene has stable structure with AB stacking and preserves the linear energy dispersions near the K and K′ points in the hexagonal Brillouin zone, and our results agree well with the previous calculations. Based on the symmetry of bilayer silicene, we study the stability of four hydrogenated bilayer silicene by the phonon-mode analysis. The configurations of semihydrogenated one-layer and semihydrogenated double-layer are confirmed as dynamically stable with no imaginary phonon frequencies. The case of semihydrogenated one-layer shows ferromagnetic ground state due to the unpaired 3p electrons, while that of semihydrogenated double-layer is predicted to be a indirect band gap semiconductor with nonmagnetic ground state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

The flow of plasma in the solar terrestrial environment

The development of electric fields in an expanding plasma was studied. With regard to the polar wind, it was found that hot magnetospheric electrons have a pronounced effect on the polar wind. In addition, there is no O(+) charge exchange barrier and substantial fluxes of O(+) ions can escape with the polar wind. In the auroral plasma physics area, the excitation of electrostatic waves by field aligned auroral electron beams was examined. It was demonstrated that the auroral field aligned current density can be large enough to excite Buneman double layers. For situations that lead to strong double layers, it was shown that the temporal evolution of the potential profile is controlled by current fluctuations. Two dimensional particle in cell simulations were conducted, and the high frequency wave turbulence excited by an auroral electron beam of finite width perpendicular to an ambient magnetic field was investigated. The formation of V shaped auroral potential structures was studied, and numerical simulations of double layers and auroral electric fields were reviewed.

Schunk, R. W.↗
NASA NTRS1981

Electrostatic shocks in the auroral magnetosphere

A 1d unmagnetized double layer simulation is presented along with analytic considerations of the Langmuir-Bohm criterion for double layer formation. It is found that this requirement of large electron drift is not reduced by trapped thermal electron and ion populations; the assumption of a nonthermal population which requires the preexistence of the double layer cannot reduce the required electron drift. It is noted that negative charge density spikes and holes in ion phase space accompany the double layer. A magnetized BGK mode solution to Poisson's equation for the potential profile perpendicular to B for cold counter-streaming electrons and ions shows how the spatial structure changes in a magnetized plasma.

Hudson, M. K.↗
DOE OSTI2014

Voltage-tunable terahertz and infrared photodetectors based on double-graphene-layer structures

We propose and theoretically substantiate the concept of terahertz and infrared photodetectors using the resonant radiative transitions between graphene layers (GLs) in double-GL structures. The calculated absorption spectrum and the spectral characteristics of the photodetector responsivity exhibit sharp resonant maxima at the photon energies in a wide range. The resonant maxima can be tuned by the applied voltage. We compare the photodetector responsivity with that of the GL p-i-n photodiodes and quantum-well infrared photodetectors. Weak temperature dependences of the photocurrent and dark current enable the effective operation of the proposed photodetector at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Electronic structure of GaP/Si (001) heterojunctions and the role of hydrogen passivation

Abstract Epitaxially grown single crystal GaP on Si is of considerable interest due to being nearly lattice matched to Si, making it attractive for III‐V/Si solar cells. GaP has been used as a buffer layer for III‐V/Si solar cells and also in selective contact Si solar cells. The performance and functionality of such devices are strongly influenced by the presence of localized states at the GaP/Si interface. Here, we examine the electronic structure of GaP/Si(001) heterojunctions and the effect of hydrogen (H) passivation at the interface, in contrast to interface mixing, through density functional theory calculations. Our calculations show that due to the heterovalent mismatch nature of the GaP/Si interface, there is a high density of localized states at the abrupt GaP/Si interface due to the excess charge associated with heterovalent bonding, as reported elsewhere. We find that the addition of H leads to additional bonding at the interface, which mitigates the charge imbalance, and greatly reduces the density of localized states, leading to a nearly ideal heterojunction. A similar result is found with a completely intermixed interface (alternating cation and anion bonding) in terms of low interface state density. However, when the intermixing occurs through single‐layer or double‐layer terraces, the benefits of intermixing are lost and the interface state density reverts more to the abrupt interface case.

Meidanshahi, Reza Vatan↗
DOE OSTI2020

Tubulin Double Helix: Lateral and Longitudinal Curvature Changes of Tubulin Protofilament

By virtue of their native structures, tubulin dimers are protein building blocks that are naturally pre-programmed to assemble into cytoskeletal polymers known as microtubules (MTs). Here we demonstrate polycation-directed (i.e. electrostatically tunable) assembly of tubulins through tubulin protofilament conformational changes in the longitudinal and lateral directions, creating novel tubulin double helices and various tubular architectures. Synchrotron small angle X-ray scattering and transmission electron microscopy reveal a remarkable range of nanoscale assembly structures: single- and double-layered double-helix tubulin tubules. The phase transitions from MTs into the new assemblies are dependent on the size and concentration of polycations. Two characteristic scales that determine the number of observed phases are the size of polycation compared to the size of tubulin (≈4 nm) and MT diameter (≈25 nm). This work suggests the feasibility of “programmable breakdown” of protein nanotubes, tearing MTs into double-stranded tubulins and building up previously undiscovered nanostructures, by using polycations with scissor- and glue-like properties. Importantly, we define a new role of tubulins as two-dimensionally shape-controllable building blocks for novel supramolecular architectures. Furthermore, these findings provide insight into the design of protein-based functional materials, for example, as metallization templates for nanoscale electronic devices, kinesin motor-driving molecular screws, and anticancer drug delivery vehicles.

2D shape‐control↗
DOE OSTI2018

Crystal structure of bretylium tosylate (Bretylol®), C 18 H 24 BrNO 3 S

The crystal structure of bretylium tosylate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Bretylium tosylate crystallizes in space group C 2/ c (#15) with a = 32.6238(4), b = 12.40353(14), c = 9.93864(12) Å, β = 101.4676(10), V = 3941.39(5) Å 3 , and Z = 8. The sample exhibited visible decomposition in the X-ray beam. The unusual displacement ellipsoid of the Br atom probably indicates that the decomposition in the beam involves the Br atom. The crystal structure can be viewed as layered parallel to the bc plane. The layers are double, the center consisting of the cation/anion polar interactions and the outer surface of the double layers consists of hydrocarbon interactions. In the absence of normal hydrogen bond donors, the only hydrogen bonds in the bretylium tosylate structure are C–H…O hydrogen bonds. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™.

Wheatley, Austin M.↗
DOE OSTI2021

Designed and biologically active protein lattices

Versatile methods to organize proteins in space are required to enable complex biomaterials, engineered biomolecular scaffolds, cell-free biology, and hybrid nanoscale systems. Here, we demonstrate how the tailored encapsulation of proteins in DNA-based voxels can be combined with programmable assembly that directs these voxels into biologically functional protein arrays with prescribed and ordered two-dimensional (2D) and three-dimensional (3D) organizations. We apply the presented concept to ferritin, an iron storage protein, and its iron-free analog, apoferritin, in order to form single-layers, double-layers, as well as several types of 3D protein lattices. Our study demonstrates that internal voxel design and inter-voxel encoding can be effectively employed to create protein lattices with designed organization, as confirmed by in situ X-ray scattering and cryo-electron microscopy 3D imaging. The assembled protein arrays maintain structural stability and biological activity in environments relevant for protein functionality. The framework design of the arrays then allows small molecules to access the ferritins and their iron cores and convert them into apoferritin arrays through the release of iron ions. The presented study introduces a platform approach for creating bio-active protein-containing ordered nanomaterials with desired 2D and 3D organizations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Interfaces of dicationic ionic liquids and graphene: a molecular dynamics simulation study

Molecular dynamics simulations were performed to investigate the interfacial structure and capacitance of electrical double layers (EDLs) in dicationic ionic liquids (DILs) 1-alkyl-3-dimethylimidazolium tetrafluoroborate [Cn(mim)2](BF4)2 (n = 3, 6, 9), with respect to a baseline of a monocationic ionic liquid [C3mim][BF4], near planar carbon electrodes consisting of graphene sheets. The simulation results show that an adsorbed layer with double peaks is exclusively found for [C3(mim)2](BF4)2, while a single peak of the other three cations is observed at the neutral electrode, due to the difference in ion–wall interaction and cation–anion association. As the electrode becomes negatively charged, the second peak of [C3(mim)2]2+ is dramatically reduced, whereas those of [C6(mim)2]2+ and [C9(mim)2]2+ become non-trivial. The capacitance–potential curve of EDLs in DILs manifests a transition from camel shape to bell shape as the cation chain length increases, which is attributed to the enlargement of ion adsorption (per unit charge) on the electrode and the decrease of attractive interaction between ions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1972

The Induced Magnetic Field of the Moon: Conductivity Profiles and Inferred Temperature

Electromagnetic induction in the moon driven by fluctuations of the interplanetary magnetic field is used to determine the lunar bulk electrical conductivity. The present data clearly show the north-south and east-west transfer function difference as well as high frequency rollover. The difference is shown to be compatible over the mid-frequency range with a noise source associated with the compression of the local remanent field by solar wind dynamic pressure fluctuations. Models for two, three, and four layer; current layer, double current layer, and core plus current layer moons are generated by inversion of the data using a theory which incorporates higher order multipoles. Core radii conductivities generally are in the range 1200 to 1300 km and 0.001 to 0.003 mhos/m; and for the conducting shell 1500 to 1700 km with 0.0001 to 0.0007 mhos/m with an outer layer taken as nonconducting. Core temperature based on available olivine data is 700 to 1000 C.

Sonett, C. P.↗
NASA NTRS1972

The induced magnetic field of the moon - Conductivity profiles and inferred temperature.

Electromagnetic induction in the moon driven by fluctuations of the interplanetary magnetic field is used to determine the lunar bulk electrical conductivity. The earlier data are now augmented by an order of magnitude. The present data clearly show the north-south and east-west transfer function difference as well as the high-frequency rollover suggested earlier. The difference is shown to be compatible over the midfrequency range (0.001 to 0.01 Hz) with a noise source associated with the compression of the local remanent field by solar wind dynamic pressure fluctuations. The rollover of the transfer functions is shown to result from higher order magnetic multipole radiation; electric multipoles appear supressed, although a vestigial TM interaction may still be present. Models for two, three, and four layer; current layer, double current layer, and core plus current layer moons are generated by inversion of the data, using a theory that incorporates higher-order multipoles.

Sonett, C. P.↗
NASA NTRS1979

Auroral magnetosphere-ionosphere coupling: A brief topical review

Auroral arcs result from the acceleration and precipitation of magnetospheric plasma in narrow regions characterized by strong electric fields both perpendicular and parallel to the earth's magnetic field. The various mechanisms that were proposed for the origin of such strong electric fields are often complementary Such mechanisms include: (1) electrostatic double layers; (2) double reverse shock; (3) anomalous resistivity; (4) magnetic mirroring of hot plasma; and (5) mapping of the magnetospheric-convection electric field through an auroral discontinuity.

Chiu, Y. T.↗
DOE OSTI2019

Simulation of double buffer layer on CIGS solar cell with SCAPS software

In a CIGS thin film solar cell, the buffer layer is interposed between the absorber layer and the window layer, which plays an important role in interface electricity. CdS is often used as a buffer layer in CIGS cells. Beside the toxicity of Cd, the main drawback of CdS is its relatively narrow band gap (2.4 eV), which can lead to the current loss due to parasitic absorption. In order to reduce the use of CdS, we try other buffer layers instead of CdS and optimize buffer layer structure. Numerical simulation has been used to explore the effect of different buffer layer materials (CdS and ZnSe) on the performance of CuInGaSe{sub 2} solar cells with SCAPS-1D software. The main photovoltaic parameters of the analog device: open circuit voltage, short circuit current density, fill factor and conversion efficiency (η) were compared and analyzed. The results show that different buffer materials and thickness have great influence on the performance of the cell. In this simulation, CdS buffer layer was replaced by ZnSe material, which has a wider band gap. However, the efficiency of this kind of cell is lower than that of CIGS device with CdS buffer layer because of the bad energy band alignment. In order to improve the short-wave absorption and the efficiency of CIGS cell, we simulated a novel CdS/ZnSe double buffer layer structure. The efficiency of the optimized cell with double buffer layer increases from 18.47% (conventional cell with the same CdS buffer layer thickness) to 19.01%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

Effect of surface tension on the onset of convection in a double-diffusive layer

The effect of surface tension on the stability of a double-diffusive layer is considered using linear stability analysis. The surface tension is assumed to vary linearly with temperature and solute concentration. The eigenvalue problem is solved by the Galerkin method. Results show that the predicted stability boundary based on Marangoni effects alone is completely altered in the presence of buoyancy effects induced by low gravity levels (about 10 exp -5 g). At reduced gravity levels, salt-finger instability may onset in the overstable mode due to the stabilizing effect of surface tension. Fluid properties in terms of the Prandtl and the Lewis numbers have a profound effect on the stability conditions; opposite stability characteristics are found in salt solutions and in molten metals.

Chen, C. F.↗
NASA NTRS2020

Dynamic Countermeasure Fabrics for Post-Spaceflight Orthostatic Intolerance

Aerospace orthostatic intolerance garments (OIG) have historically been pneumatic (e.g., NASA’s antigravity suit), an approach that inhibits mobility and requires connection to an air supply. Elastic compression garments, an alternative technology, are difficult to don/doff and cannot be worn in a noncompressive state, resulting in discomfort and usability challenges. This research evaluates a novel technology—contractile shape memory alloy (SMA) knitted actuators—that can enable low-profile, dynamic compression for an aerospace OIG. To characterize the functional capabilities of SMA knitted actuators, displacement control testing was conducted on 10 actuator samples with a range of geometric design parameters. Inactive (FI) and actuated forces (FA) were observed by repeatedly thermally cycling each sample at 0%, 15%, 30%, and 45% structural strain. Compression capabilities were approximated using medical compression hosiery standards and anthropometric data from a representative aerospace population (ANSUR 2012). Dynamic compression predictions reached 52 mmHg (single layer fabric) and 105 mmHg (double layer fabric) at the ankle. Low, inactive pressures (p, 20 mmHg) demonstrate that compression is controllable and can be dynamically increased upon actuation up to 33 mmHg in a single layer system and up to 67 mmHg in a double layer system. The results highlight the potential of SMA knitted actuators to enable low-profile, dynamic compression garments that can reach medically therapeutic pressures on an aerospace population to counteract OI symptoms. In addition to astronautic applications, this technology demonstrates widespread terrestrial medical and high-performance aircraft applicability.

Orthostatic intolerance↗
DOE OSTI2025

Low Frequency Vibrational Modes of Two-Dimensional Lead-Free Metal Halide Double Perovskites

2D layered double perovskites of (S-MPA) 4 AgBiI 8 (MPA-AgBiI 8 ) and (S-MPA) 4 CuBiI 8 (MPA-CuBiI 8 ) (S-MPA, S-β-methylphenethylammonium) were synthesized with a hydrothermal method. The crystal structure of MPA-AgBiI 8 was determined using single-crystal X-ray diffraction (scXRD). Powder XRD (pXRD) data suggest that the crystal structure of MPA-CuBiI 8 is more complex than that of MPA-AgBiI 8 . UV-Vis electronic absorption spectra of these perovskites reveal a bandgap of 2.03 eV for both. Short exciton lifetime from time-resolved photoluminescence (TRPL) results and low PL intensity of the Cu-based perovskite suggest a high density of trap states within the bandgap. Low frequency Raman spectra of both materials show distinct peaks and a slightly higher frequency for the Cu-based perovskite than the Ag-based perovskite. Density functional theory (DFT) calculations were conducted to simulate the low frequency Raman spectra and help explain the different phonon modes, which are collective vibrations of metal halide bond bending and stretching within the Ag- and Cu-centered octahedra coupled with MPA libration and twisting within the inorganic layer. The DFT theory also quantified octahedral distortions in the two perovskites. Furthermore, this combined experimental and computational study provides new insights into the low frequency vibrations of 2D perovskites.

Halogens↗
DOE OSTI2014

A study of the early-stage evolution of relativistic electron-ion shock using three-dimensional particle-in-cell simulations

We report the results of a 3D particle-in-cell simulation carried out to study the early-stage evolution of the shock formed when an unmagnetized relativistic jet interacts with an ambient electron-ion plasma. Full-shock structures associated with the interaction are observed in the ambient frame. When open boundaries are employed in the direction of the jet, the forward shock is seen as a hybrid structure consisting of an electrostatic shock combined with a double layer, while the reverse shock is seen as a double layer. The ambient ions show two distinct features across the forward shock: a population penetrating into the shocked region from the precursor region and an accelerated population escaping from the shocked region into the precursor region. This behavior is a signature of a combination of an electrostatic shock and a double layer. Jet electrons are seen to be electrostatically trapped between the forward and reverse shock structures showing a ring-like distribution in a phase-space plot, while ambient electrons are thermalized and become essentially isotropic in the shocked region. The magnetic energy density grows to a few percent of the jet kinetic energy density at both the forward and the reverse shock transition layers in a rather short time scale. We see little disturbance of the jet ions over this time scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗