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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Two-electron bond-orbital model. I

The one-electron bond-orbital model of Harrison (1973) for tetrahedrally coordinated solids is modified to a two-electron model using a generalization of Falicov and Harris' (1969) method for treating the hydrogen molecule. Expressions for nuclear-exchange and pseudodipolar interactions are obtained in terms of bond-orbital model parameters. The eigenfunctions and eigenvalues of the Hamiltonian are employed along with standard perturbation theory to calculate the energy shifts resulting from the application of an external electric field and induced by the magnetic interaction between the nuclear spins and the bond-electron spins. The quantitative predictions of the derived formulas are examined for real semiconductors involving elements and compounds from periodic groups III, IV, and V. It is concluded that the present two-electron model makes it possible to assess the quantitative effects of electron correlation in the anion-cation bond for both nonmagnetic properties (electric susceptibility, dielectric constant) and magnetic properties (nuclear-exchange and pseudodipolar interactions) of various materials.

Huang, C.↗
NASA NTRS1980

Evaluation and prediction of long term space environmental effects on non-metallic materials

The effects of prolonged spacecraft materials were determined and the results compared with predicted behavior. The adhesion and dielectric properties of poly-thermaleze and therm-amid magnet wire insulation were studied. The tensile properties of Lexan, polyurethane, polyethelyne, lucite, and nylon were studied well as the flexure and tensile characteristic of Adlock 851, a phenolic laminate. The volume resistivity of Cho-seal, a conductive elastomer was also a examined. Tables show the time exposed at thermal vacuum, and the high, low, and average MPA and KSI.

Shepic, J. A.↗
NASA NTRS1988

Evaluation and mitigation of lightning hazards to the space shuttle Solid Rocket Motors (SRM)

The objective was to quantify electric field strengths in the Solid Rocket Motor (SRM) propellant in the event of a worst case lightning strike. Using transfer impedance measurements for selected lightning protection materials and 3D finite difference modeling, a retrofit design approach for the existing dielectric grain cover and railcar covers was evaluated and recommended for SRM segment transport. A safe level of 300 kV/m was determined for the propellant. The study indicated that a significant potential hazard exists for unprotected segments during rail transport. However, modified railcar covers and grain covers are expected to prevent lightning attachment to the SRM and to reduce the levels to several orders of magnitude below 300 kV/m.

Rigden, Gregory J.↗
NASA NTRS1992

Electrical breakdown of Space Station Freedom surfaces

Space Station Freedom (SSF) will be the largest and highest power spacecraft that the U.S. has put into orbit. The solar array will generate 160 volts nominal when in sunlight, and the present baseline design is for the negative end of the solar array to be tied to SSF structure. Due to the balance of leakage currents through the plasma, the structure will be driven approximately 140 volts negative of the ambient conductive ionospheric plasma. Surface materials such as anodized aluminum will have this voltage drop across a thin dielectric which may not have sufficient dielectric strength to prevent dielectric breakdown. This can lead to arcing on the exterior surfaces of Space Station.

Carruth, M. R., Jr.↗
NASA NTRS1995

Growth and characterization of crystals for room temperature I.R. detectors and second harmonic generation devices

One of the major objectives of this program was to modify the triglycine sulfate (TGS) crystals with suitable dopants and variants to achieve better pyroelectric properties and improved infrared detectivities (D(sup *)), and higher Curie transition temperature compared to undoped TGS crystals. Towards these objectives, many promising dopants, both inorganic and organic, were investigated in the last few years. These dopants gave significant improvement in the D(sup *) value of the infrared detectors fabricated from the grown crystals with no significant increase in the Curie temperature (49 C). The IR detectors were fabricated at EDO/Barnes Engineering Division, Shelton, CT. In the last one year many TGS crystals doped with urea were grown using the low temperature solution crystal growth facility. It is found that doping with urea, the normalized growth yield increased significantly compared to pure TGS crystals and there is an improvement in the pyroelectric and dielectric constant values of doped crystals. This gave a significant increase in the materials figure of merits. The Vicker's hardness of 10 wt percent urea doped crystals is found to be about three times higher in the (010) direction compared to undoped crystals. This report describes in detail the results of urea doped TGS crystals.

Lal, R. B.↗
NASA NTRS1998

Micromechanical Prediction of the Effective Coefficients of Thermo-Piezoelectric Multiphase Composites

The micromechanical generalized method of cells model is employed for the prediction of the effective elastic, piezoelectric, dielectric, pyroelectric and thermal-expansion constants of multiphase composites with embedded piezoelectric materials. The predicted effective constants are compared with other micromechanical methods available in the literature and good agreements are obtained.

Aboudi, Jacob↗
NASA NTRS2019

Effect of Processing on Morphology of Hydroxyapatites: Bioactive Glasses and Crystalline Composites

Recent studies on multinary oxides for applications as laser hosts and high dielectric capacitors have shown that processing at high temperature provides glassy or crystalline materials based on thermal treatments and cooling rates. Since hydroxyapatites are now subject of great interests due to their bioactivity, interest in producing soft and hard materials with glassy and crystalline nature by processing parameters has become very important. Crystalline materials by using Bridgman, Czochralski and flux growth methods are costly and require huge investment. We have observed that even low temperature solidification in organic flux produced oriented fibers. This organic treated material has different characteristics than in situ oxide materials prepared by sintering and grain growth. Examples of phosphate and silicate-based systems will be presented to demonstrate soft and hard materials. Effect of TiO2 and other hardening elements will be also reported.

McAdams, Joel↗
NASA NTRS2003

Parametric optics with whispering-gallery modes

We propose to fabricate a dielectric cavity sustaining high-Q whispering gallery modes from a periodically poled material possessing a quadratic nonlinearity to achieve an efficient interaction among the modes. We show that the periodical poling allows for compensation of both the material and the cavity dispersions that prohibits the nonlinear interaction otherwise. Such a cavity might be a basics element of a family of efficient nonlinear devices operating at a broad range of optical wavelengths.

Maleki, Lute↗
DOE OSTI2021

Methods of epsilon-near-zero optical modulation

A method of optical modulation in a non-resonant epsilon-near-zero (EMZ) plasmonic electro-optical modulator is provided. An optical carrier is injected into a waveguide optically coupled to a layer of transparent conductive material having an epsilon-near-zero (ENZ) wavelength. The transparent conductive material layer constitutes a portion of a capacitive structure that includes a gate dielectric layer. A time-varying bias voltage applied across the gate dielectric layer shifts the ENZ wavelength toward the carrier wavelength, and thereby impresses a phase modulation pattern on the carrier wave.

Wood, Michael↗
DOE OSTI2023

A Landau-Devonshire Approach of Elastic Strain Effects on Ferroelectric Al1-xScxN

Landau-Devonshire thermodynamic modeling enables the phenomenological description of ferroelectrics. 1 The approach has been validated across a wide range of ferroelectric materials from the first ferroelectric discovered, Rochelle Salt, to recent HfO2-based materials. 2-4 Extension to what is now referred to as the Landau-Ginsburg-Devonshire model enables rigorous investigation of polarization boundaries and reorientation, phase transformations, and domain formation/evolution. We present a thermodynamic analysis of the recently discovered nitride ferroelectric materials 5-7 using the classic Landau-Devonshire approach. The electrostrictive and dielectric stiffness coefficients of Al1-xScxN with wurtzite structure (6mm) are determined using a free energy density function assuming a hexagonal parent phase (6/mmm), with the first order phase transition based on the dielectric stiffness relationships (Fig. 1). The results of this analysis show that the strain sensitivity of the energy barrier is one order of magnitude larger than that of the spontaneous polarization in these wurtzite ferroelectrics, yet both are less sensitive to strain compared to classic perovskite ferroelectrics (Fig. 2). These analysis results reported here explain experimentally reported sensitivity of coercive field to elastic strain/stress in Al1-xScxN films, and would enable further thermodynamic analysis via phase field simulation and related methods.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗
DOE OSTI2021

The relaxation behavior of supercooled and glassy imidacloprid

Employing dielectric spectroscopy, oscillatory shear rheology, and calorimetry, the present work explores the molecular dynamics of the widely used insecticide imidacloprid above and below its glass transition temperature. In its supercooled liquid regime, the applied techniques yield good agreement regarding the characteristic structural (alpha) relaxation times of this material. In addition, the generalized Gemant–DiMarzio–Bishop model provides a good conversion between the frequency-dependent dielectric and shear mechanical responses in its viscous state, allowing for an assessment of imidacloprid’s molecular hydrodynamic radius. In order to characterize the molecular dynamics in its glassy regime, we employ several approaches. These include the application of frequency–temperature superposition (FTS) to its isostructural dielectric and rheological responses as well as use of dielectric and calorimetric physical aging and the Adam–Gibbs–Vogel model. While the latter approach and dielectric FTS provide relaxation times that are close to each other, the other methods predict notably longer times that are closer to those reflecting a complete recovery of ergodicity. In conclusion, this seemingly conflicting dissimilarity demonstrates that the molecular dynamics of glassy imidacloprid strongly depends on its thermal history, with high relevance for the use of this insecticide as an active ingredient in technological applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

GW band structure of monolayer MoS 2 using the SternheimerGW method and effect of dielectric environment

Monolayers of transition-metal dichalcogenides (TMD) hold great promise as future nanoelectronic and optoelectronic devices. An essential feature for achieving high device performance is the use of suitable supporting substrates, which can affect the electronic and optical properties of these two-dimensional (2D) materials. Here, we perform many-body GW calculations using the SternheimerGW method to investigate the quasiparticle band structure of monolayer MoS 2 subject to an effective dielectric screening model, which is meant to approximately describe substrate polarization in real device applications. We show that, within this model, the dielectric screening has a sizeable effect on the quasiparticle band gap, for example the gap renormalization is as large as 250 meV for MoS 2 with model screening corresponding to SiO 2 . Within the G 0 W 0 approximation, we also find that the inclusion of the effective screening induces a direct band gap, in contrast to the unscreened monolayer. We also find that the dielectric screening induces an enhancement of the carrier effective masses by as much as 27% for holes, shifts plasmon satellites, and redistributes quasiparticle weight. Our results highlight the importance of the dielectric environment in the design of 2D TMD-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Solvent independent symmetry-breaking charge separation in terrylenediimide guanine-quadruplex nanoparticles

G-quadruplex assemblies are a promising tool for self-assembling π-stacked chromophore arrays to better understand their photophysics. We have shown that coupling a single guanine moiety to terrylenediimide (TDI) produces a structure (GTDI) that self-assembles in tetrahydrofuran (THF) into a nearly monodisperse guanine-quadruplex structure having 16 π-stacked layers (GTDI 4 ) 16 . The TDI surfaces were determined to have a high degree of cofacial overlap and underwent quantitative symmetry-breaking charge separation (SB-CS) upon photoexcitation. Here, we more deeply examine the relationship between solvent and aggregate formation and develop insights into structure–function relationships over a variety of solvent polarities and hydrogen-bonding capabilities. At high concentrations, GTDI assembles into guanine-quadruplex structures (GTDI 4 ) 16 in THF and toluene, as well as (GTDI 4 ) 9 in pyridine and benzonitrile. Here, transient absorption spectroscopy shows that SB-CS occurs in all solvents, regardless of their static dielectric constants, but the SB-CS yield is determined by structure. Solvent polarity independent SB-CS generation is also observed in GTDI films, where there is a complete absence of solvent.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of Diphenyl Content on Viscoelasticity of Poly(dimethyl- co -diphenyl)siloxane Melt and Network

Polydimethylsiloxane (PDMS) is one of the most widely used polymeric materials for sealants, adhesives, lubricants, and thermal as well as electrical insulation. At low temperatures, however, PDMS is subject to crystallization that can cause deterioration in mechanical function. A common way to suppress such crystallization is through the incorporation of phenylsiloxane into the backbone of polysiloxane. Nevertheless, the introduction of phenyl components, even in small quantities, could potentially change the properties of the siloxane in a significant way. In this work, a series of mechanical tests and finite element simulations were performed to study the macroscale viscoelasticity of two poly(dimethyl-co-diphenyl)siloxane formulations in order to understand the effects of a few percent diphenyl contents on the viscoelasticity of the polysiloxane material. Here, we utilized the small-angle X-ray scattering to investigate the microscopic structures of the copolymers and broadband dielectric spectroscopy and rheology to probe the chain dynamics at the microscale. The results of these characterizations were used to inform the finite element simulations. We found that the degree of cross-linking does not significantly alter the microstructure but can profoundly affect the viscoelastic response of the copolymer networks. The corresponding hysteretic behavior is interpreted in terms of reptation-like motion and relaxation of the effective free chains in the cured polymer network. The relaxation of the copolymer chains is slowed significantly by even a small increase in the molar ratio of the diphenyl component.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A chiral switchable photovoltaic ferroelectric 1D perovskite

Spin and valley degrees of freedom in materials without inversion symmetry promise previously unknown device functionalities, such as spin-valleytronics. Control of material symmetry with electric fields (ferroelectricity), while breaking additional symmetries, including mirror symmetry, could yield phenomena where chirality, spin, valley, and crystal potential are strongly coupled. Here we report the synthesis of a halide perovskite semiconductor that is simultaneously photoferroelectricity switchable and chiral. Spectroscopic and structural analysis, and first-principles calculations, determine the material to be a previously unknown low-dimensional hybrid perovskite (R)-(-)-1-cyclohexylethylammonium/(S)-(+)-1 cyclohexylethylammonium) PbI 3 . Optical and electrical measurements characterize its semiconducting, ferroelectric, switchable pyroelectricity and switchable photoferroelectric properties. Temperature dependent structural, dielectric and transport measurements reveal a ferroelectric-paraelectric phase transition. Circular dichroism spectroscopy confirms its chirality. The development of a material with such a combination of these properties will facilitate the exploration of phenomena such as electric field and chiral enantiomer–dependent Rashba-Dresselhaus splitting and circular photogalvanic effects

36 MATERIALS SCIENCE↗
NASA NTRS1976

Electromagnetic reflection and transmission at interfaces involving graded dielectrics with applications to planetary radar astronomy

Reflection and transmission of electromagnetic waves at an interface between two homogeneous materials is modified when a transition zone of linearly increasing permittivity is inserted between the half spaces. Mathematical expressions for reflection and transmission coefficients are derived for waves at arbitrary incidence angles and polarized either in or perpendicular to the plane of incidence. Discontinuities in permittivity at the transition-zone boundaries are allowed. There is efficient transmission between the two half-spaces for transition-zone thicknesses of a wavelength or greater. For sharper changes, the matching layer has diminishing effect and the wave-interface interaction is characterized by the difference in properties between the two half-spaces. Examples applicable to lunar radar astronomy and airborne terrestrial remote sensing are used to illustrate the relationship between wavelength and thickness of the transition layer.

Simpson, R. A.↗
DOE OSTI2021

Scaling of atomic layer etching of SiO 2 in fluorocarbon plasmas: Transient etching and surface roughness

Fabricating sub-10 nm microelectronics places plasma processing precision at atomic dimensions. Atomic layer etching (ALE) is a cyclic plasma process used in semiconductor fabrication that has the potential to remove a single layer of atoms during each cycle. In self-limiting ideal ALE, a single monolayer of a material is consistently removed in each cycle, typically expressed as EPC (etch per cycle). In plasma ALE of dielectrics, such as SiO 2 and Si 3 N 4 , using fluorocarbon gas mixtures, etching proceeds through deposition of a thin polymer layer and the process is not strictly self-terminating. As a result, EPC is highly process dependent and particularly sensitive to the thickness of the polymer layer. In this paper, results are discussed from a computational investigation of the ALE of SiO 2 on flat surfaces and in short trenches using capacitively coupled plasmas consisting of a deposition step (fluorocarbon plasma) and an etch step (argon plasma). We found that ALE performance is a delicate balance between deposition of polymer during the first half cycle and etching (with polymer removal) during the second half cycle. In the absence of complete removal of the overlying polymer in each cycle, ALE may be transient as the polymer thickness grows with each cycle with a reduction in EPC until the thickness is too large to enable further etching. Small and statistical amounts of polymer left from a previous cycle can produce statistical variation in polymer thickness on the next cycle, which in turn can lead to a spatially dependent EPC and ALE roughness. Based on synergy between T i (sputtering time) and T p (passivation time), dielectric ALE can be described as having three modes: deposition, roughening surface (transitioning to etch-stop), and smooth surface with steady-state EPC.

Materials Science↗