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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Laboratory Investigations into the Spectra and Origin of Propylene Oxide: A Chiral Interstellar Molecule

Propylene oxide was recently identified in the interstellar medium, but few laboratory results are available for this molecule to guide current and future investigations. To address this situation, here we report infrared spectra, absorption coefficients, and band strengths of solid propylene oxide along with the first measurement of its refractive index and a calculation of its density, all for the amorphous solid form of the compound. We present the first experimental results showing a low-temperature formation pathway for propylene oxide near 10 K in interstellar ice analogs. Connections are drawn between our new results and the interstellar molecules propanal and acetone, and predictions are made about several as yet unobserved vinyl alcohols and methylketene. Comparisons are given to earlier laboratory work and a few applications to interstellar and solar system astrochemistry are described.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Transition metal-doped 3C-SiC as a promising material for intermediate band solar cells

In this report the un-surveyed domain of silicon-based intermediate band solar cell (IBSC) has been studied. Intermediate band (IB) has been created in 3C-SiC through substitution of cobalt (Co) atoms within super cell structures as a consequence of interaction between the crystalline potential and spin interaction with d orbitals of Co. The band structure, density of state and absorption coefficient of the new material have been extracted. Large band gap of 3C-SiC along with the proper selection of the guest Co atoms provides both high conversion efficiency and also, the possibility to reach the theoretical optimal band gap for photovoltaic applications. However, we demonstrated that a metallic narrow IB is formed whiten the forbidden band energy of 3C-SiC when Co atoms are located inside that. The maximum conversion efficiencies near 60% and 55% are obtained under AM1.5 and AM0 spectra, respectively. Our theoretical results provide a possible way to design high efficiency solar cell based on silicon carbide.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Thermonuclear targets for direct-drive ignition by a megajoule laser pulse

Central ignition of a thin two-layer-shell fusion target that is directly driven by a 2-MJ profiled pulse of Nd laser second-harmonic radiation has been studied. The parameters of the target were selected so as to provide effective acceleration of the shell toward the center, which was sufficient for the onset of ignition under conditions of increased hydrodynamic stability of the ablator acceleration and compression. The aspect ratio of the inner deuterium-tritium layer of the shell does not exceed 15, provided that a major part (above 75%) of the outer layer (plastic ablator) is evaporated by the instant of maximum compression. The investigation is based on two series of numerical calculations that were performed using one-dimensional (1D) hydrodynamic codes. The first 1D code was used to calculate the absorption of the profiled laser-radiation pulse (including calculation of the total absorption coefficient with allowance for the inverse bremsstrahlung and resonance mechanisms) and the spatial distribution of target heating for a real geometry of irradiation using 192 laser beams in a scheme of focusing with a cubo-octahedral symmetry. The second 1D code was used for simulating the total cycle of target evolution under the action of absorbed laser radiation and for determining the thermonuclear gain that was achieved with a given target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1995

Light response of phytoplankton in the South Atlantic Ocean: Interpretation of observations and application to remote sensing

A simplified, nonspectral derivation of a classical theory in plant physiology is presented and used to derive an absorption-based primary productivity algorithm. Field observations from a meridional transect (4 deg N to 42 deg S) in the Atlantic Ocean are then described and interpreted in this theoretical context. The observations include photosynthesis-irradiance curve parameters (alpha and P(sub max)), chlorophyll a and phaeopigment concentration, and estimated phytoplankton absorption coefficients at wavelength = 440 nm (a(sub ph)(440)). Observations near the top (50% I(sub 0)) and bottom (6% I(sub 0)) of the euphotic zone are contrasted. At both light levels, alpha, P(sub max), a(sub ph)(440), and pigment concentration varied similarly along the transect: values were highest at the equator and at the southern end of the transect and lowest in the central South Atlantic. It is concluded that this pattern was related to increased nutrient availability due to equatorial upwelling in the north, and increased wind mixing in the south. At the 50% light level, alpha increased relative to a(sub ph) at the southern end of the transect. This result appears to reflect a large-scale meridional (southward) increase in the average quantum efficiency of the photosynthetic units of the phytoplankton. A correlation analysis of the data reveals that at the 50% light level, variations in P(sub max) were more closely related to a(sub ph)(440) than chlorophyll concentration and that phytoplankton absorption explains 90% of the variability in P(sub max). In theory, this shows that the ratio of the average quantum efficiency of the photosynthetic units of the phytoplankton to the product of their average absorption cross section and turnover time is relatively constant. This result is used to simplify the absorption-based primary productivity algorithm derived previously. The feasibility of using this model to estimate production rate from satellite ocean color observations is discussed. It is concluded that an absorption-based algorithm should provide more accurate production rate estimates than one based upon chlorophyll (pigment) concentration.

Hood, Raleigh R.↗
DOE OSTI2019

Modeling and design of tin doped group IV alloy based QWEAM

This work investigates vital characteristics of tin doped group IV based quantum well for its potential as an electroabsorption modulator (EAM). Absorption coefficient and refractive index variation in proposed EAM structure are evaluated and studied under variation of electric field. Performance parameters like extinction ratio, chirp factor, etc. are calculated for different electric fields and Sn content of GeSn quantum well. A significant negative chirp and high extinction ratio has been obtained at midinfrared range of wavelength. The result reveals that appropriate selection of external field and Sn content plays a decisive role in the performance of QWEAM. Moreover, there is a tradeoff between extinction ratio and insertion loss on increasing length of the modulator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Research on calorimeter for high-power microwave measurements

Based on measurement of the volume increment of polar liquid that is a result of heating by absorbed microwave energy, two types of calorimeters with coaxial capacitive probes for measurement of high-power microwave energy are designed in this paper. The first is an “inline” calorimeter, which is placed as an absorbing load at the end of the output waveguide, and the second is an “offline” calorimeter that is placed 20 cm away from the radiation horn of the high-power microwave generator. Ethanol and high density polyethylene are used as the absorbing and housing materials, respectively. Results from both simulations and a “cold test” on a 9.3 GHz klystron show that the “inline” calorimeter has a measurement range of more than 100 J and an energy absorption coefficient of 93%, while the experimental results on a 9.3 GHz relativistic backward-wave oscillator show that the device’s power capacity is approximately 0.9 GW. The same experiments were also carried out for the “offline” calorimeter, and the results indicate that it can be used to eliminate the effects of the shock of the solenoid on the measurement curves and that the device has a higher power capacity of 2.5 GW. The results of the numerical simulations, the “cold tests,” and the experiments show good agreement.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Optical properties of large-area ultrathin MoS{sub 2} films: Evolution from a single layer to multilayers

We investigated the optical properties of ultrathin MoS{sub 2} films (number of layers: N = 1, 2, 4, and 12) using Raman spectroscopy, photoluminescence (PL) spectroscopy, and spectroscopic ellipsometry. We estimated the layer thicknesses based on Raman spectra. We characterized the microstructural properties of a single-layer MoS{sub 2} film using atomic force microscopy. We measured the lowest-energy A and B excitons using PL spectroscopy. We measured the ellipsometric angles (Ψ and Δ) of MoS{sub 2} thin films using spectroscopic ellipsometry, and obtained the dielectric functions as the films' thickness changed from a single layer to multi-layers. We determined the films' optical gap energies from the absorption coefficients. Applying the standard critical point model to the second derivative of the dielectric function (d{sup 2}ε(E)/dE{sup 2}), we determined several critical point energies. The d{sup 2}ε(E)/dE{sup 2} spectra showed doublet peaks around 3 eV corresponding to the C and D transitions, as well as doublet peaks around 2 eV corresponding to the A and B transitions. These doublet structures at 3 eV are attributed to the transitions in the Brillouin zone between the Γ and K points.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Applicability of the thin-film approximation in terahertz photoconductivity measurements

Thin mesoporous photoconductive layers are critically important for efficient water-spitting solar cells. A detailed understanding of photoconductivity in these materials can be achieved via terahertz transient absorption measurements. Such measurements are commonly interpreted using the thin-film approximation. We compare this approximation with a numerical solution of the transfer function without approximations using experimental results for thin-film mesoporous tin oxide (SnO 2 ) samples which range in thickness from 3.3 to 12.6 µm. These samples were sensitized with either a ruthenium polypyridyl complex or a porphyrin dye. The two sensitizers have markedly different absorption coefficients, resulting in penetration depths of 15 µm and 1 µm, respectively. The thin-film approximation results are in good agreement with the numerical work-up for the short penetration length dye. For the longer penetration length samples, the thin-film formula fails even for thicknesses of only 3 µm ≈ λ/100. The imaginary part of the conductivity calculated using the thin-film formula was significantly larger in magnitude than the value without approximations. This discrepancy between the commonly used thin-film approximation and the numerical solution demonstrates the need for a careful analysis of the thin-film formula.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Acoustic phonon assisted free-carrier optical absorption in an n-type monolayer MoS{sub 2} and other transition-metal dichalcogenides

The theory of free-carrier absorption (FCA) is given for monolayers of transition-metal dichalcogenides, particularly for molybdenum disulphide (MoS{sub 2}), when carriers are scattered by phonons. Explicit expressions for the absorption coefficient α are obtained and discussed for acoustic phonon scattering via screened deformation potential and piezoelectric coupling taking polarization of the radiation in the plane of the layer. It is found that α monotonously decreases with the increasing photon frequency Ω, increases with the increasing temperature T, and linearly depends on two-dimensional electron concentration n{sub s}. Effect of screening, which is ignored in all the earlier FCA studies, is found to reduce α significantly, attributing to the larger effective mass of the electrons. Results are also obtained in the classical and quantum limit giving the power laws α ∼ Ω{sup −2} and T. Comparison of the results is made with those in bulk semiconductors and semiconductor quantum wells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Spectrally resolved modulated infrared radiometry of photothermal, photocarrier, and photoluminescence response of CdSe crystals: Determination of optical, thermal, and electronic transport parameters

Spectrally resolved modulated infrared radiometry (SR-MIRR) with super-band gap photoexcitation is introduced as a self-consistent method for semiconductor characterization (CdSe crystals grown under different conditions). Starting from a theoretical model combining the contributions of the photothermal (PT) and photocarrier (PC) signal components, an expression is derived for the thermal-to-plasma wave transition frequency f{sub tc} which is found to be wavelength-independent. The deviation of the PC component from the model at high frequency is quantitatively explained by a quasi-continuous distribution of carrier recombination lifetimes. The integral, broad frequency band (0.1 Hz–1 MHz) MIRR measurements simultaneously yielded the thermal diffusivity a, the effective IR optical absorption coefficient β{sub eff}, and the bulk carrier lifetime τ{sub c}. Spectrally resolved frequency scans were conducted with interchangeable IR bandpass filters (2.2–11.3 μm) in front of the detector. The perfect spectral match of the PT and PC components is the direct experimental evidence of the key assumption in MIRR that de-exciting carriers are equivalent to blackbody (Planck) radiators. The exploitation of the β spectrum measured by MIRR allowed determining the background (equilibrium) free carrier concentration n{sub 0}. At the shortest wavelength (3.3 μm), the photoluminescence (PL) component supersedes the PC one and has distinct features. The average sample temperature influences the PC component but not the PT one.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Optical properties of cubic boron arsenide

The ultrahigh thermal conductivity of cubic boron arsenide (BAs) makes it a promising material for next-generation electronics and optoelectronics. Here, we report measured optical properties of BAs crystals, including the complex dielectric function, refractive index, and absorption coefficient in the ultraviolet, visible, and near-infrared wavelength range. In this work, the data were collected at room temperature using spectroscopic ellipsometry and transmission and reflection spectroscopy. We further calculated the optical response using density functional theory and many-body perturbation theory, considering quasiparticle and excitonic corrections. The computed values for the direct and indirect bandgaps (4.25 eV and 2.07 eV) agree well with the measured results (4.12 eV and 2.02 eV). Our findings pave the way for using BAs in future electronic and optoelectronic applications that take advantage of its demonstrated ultrahigh thermal conductivity and predicted high ambipolar carrier mobility.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Propagation and absorption of high-intensity femtosecond laser radiation in diamond

Femtosecond interferometry has been used to experimentally study the photoexcitation of the electron subsystem of diamond exposed to femtosecond laser pulses of intensity 10{sup 11} to 10{sup 14} W cm{sup -2}. The carrier concentration has been determined as a function of incident intensity for three harmonics of a Ti : sapphire laser (800, 400 and 266 nm). The results demonstrate that, in a wide range of laser fluences (up to those resulting in surface and bulk graphitisation), a well-defined multiphoton absorption prevails. We have estimated nonlinear absorption coefficients for pulsed radiation at λ = 800 nm (four-photon transition) and at 400 and 266 nm (indirect and direct two-photon transitions, respectively). It has also been shown that, at any considerable path length of a femtosecond pulse in diamond (tens of microns or longer), the laser beam experiences a severe nonlinear transformation, determining the amount of energy absorbed by the lattice, which is important for the development of technology for diamond photostructuring by ultrashort pulses. The competition between wave packet self-focusing and the plasma defocusing effect is examined as a major mechanism governing the propagation of intense laser pulses in diamond. (interaction of laser radiation with matter. laser plasma)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Photochemical CO 2 Reduction Using Rhenium(I) Tricarbonyl Complexes with Bipyridyl-Type Ligands with and without Second Coordination Sphere Effects

In this study, the effect of phenyl, phenol, aniline, amino, and CF 3 substituents of the 2,2'-bipyridine ligand in fac-ReCl(L)(CO) 3 (L=2,2'-bipyridine derivative) catalysts on photochemical CO 2 reduction in dimethylacetamide is examined, in order to understand the structure-function relationships and to compare the catalytic activities with the previously published electrochemical results. All complexes including ReCl(bpy)(CO) 3 have similar excited-state lifetimes and emission spectra, but complex 1 with the Ph-NH 2 moiety exhibits a significantly larger molar absorption coefficient for its metal-to-ligand charge transfer (MLCT) band. All complexes we tested produce CO with only a negligible amount of H 2 and formate in self-sensitized systems in the presence of triethanolamine (TEOA) and in some cases, BIH (1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]-imidazole). The presence of the Ph-NH 2 moiety (complex 1) has a beneficial effect on both electrochemical and photochemical activity, allowing a turnover number (TON) of 32 and 120 for photochemical CO production (without and with BIH, respectively). In the case of the Ph-OH group in the second coordination sphere (complexes 4 and 6), these complexes are active for photochemical CO 2 reduction, despite the formation of a stable 6-coordinate Re-OPh intermediate via reductive deprotonation as previously observed under electrochemical conditions. Overall, BIH accelerates the rate of formation of the one-electron reduced species (OERS) of the Re catalysts and allows higher turnover frequency (TOF) and TON for CO formation. The X-ray structures of complexes 1 and 4 were determined to have distorted octahedral Re centres, and show π-π stacking interactions with neighboring molecules as well as intramolecular hydrogen bonds to the internal chloride ligands. The unusually high absorptivity of the MLCT absorption of complex 1 has been explained by TD-DFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Noise analysis of optimized Ge/Ge{sub 1−x}Sn{sub x}/Ge p–n–p heterojunction phototransistors for long-wavelength optical receivers

Present literature investigates noise analysis and optimal design for Ge/Ge{sub 1−x}Sn{sub x}/Ge based p–n–p heterojunction phototransistors (HPT) for long-wavelength optical receivers. We calculate gain, noise powers, signal-to-noise ratio, absorption coefficient and optical responsivity of proposed GeSn-based HPT and investigate their dependence on various structural parameters to optimize the design. The proposed HPT incorporates Ge{sub 1−x}Sn{sub x} alloy in the base layer as the active layer, allow to extend the photo detection range from near infrared to mid-infrared to achieve a wide range of detection. The results show that the signal-to-noise ratio (SNR) is strongly dependent on the operating frequency and the introduction of Sn in the base layer can improve the signal-to-noise ratio in the high-frequency region. The calculated results also show that even in the presence of small defects and misfit dislocations at the heterointerfaces, high SNR is still achievable for the proposed structure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Inkjet-printed vertically emitting solid-state organic lasers

In this paper, we show that Inkjet Printing can be successfully applied to external-cavity vertically emitting thin-film organic lasers and can be used to generate a diffraction-limited output beam with an output energy as high as 33.6 μJ with a slope efficiency S of 34%. Laser emission shows to be continuously tunable from 570 to 670 nm using an intracavity polymer-based Fabry-Perot etalon. High-optical quality films with several μm thicknesses are realized, thanks to ink-jet printing. We introduce a new optical material where EMD6415 commercial ink constitutes the optical host matrix and exhibits a refractive index of 1.5 and an absorption coefficient of 0.66 cm{sup −1} at 550–680 nm. Standard laser dyes like Pyrromethene 597 and Rhodamine 640 are incorporated in solution to the EMD6415 ink. Such large size “printed pixels” of 50 mm{sup 2} present uniform and flat surfaces, with roughness measured as low as 1.5 nm in different locations of a 50 μm × 50 μm AFM scan. Finally, as the gain capsules fabricated by Inkjet printing are simple and do not incorporate any tuning or cavity element, they are simple to make, have a negligible fabrication cost, and can be used as fully disposable items. This work opens the way towards the fabrication of really low-cost tunable visible lasers with an affordable technology that has the potential to be widely disseminated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Modelling of heating and photoexcitation of single-crystal silicon under multipulse irradiation by a nanosecond laser at 1.06 μm

We report a theoretical study of heating and photoexcitation of single-crystal silicon by nanosecond laser radiation at a wavelength of 1.06 μm. The proposed physicomathematical model of heating takes into account the complex nonlinear dynamics of the interband absorption coefficient of silicon and the contribution of the radial heat removal to the cooling of silicon between pulses under multipulse irradiation, which allows one to obtain a satisfactory agreement between theoretical predictions of silicon melting thresholds at different nanosecond pulse durations and experimental data (both under single-pulse and multipulse irradiation). It is found that under irradiation by nanosecond pulses at a wavelength of 1.06 μm, the dynamic Burshtein – Moss effect can play an important role in processes of photoexcitation and heating. It is shown that with the regimes typical for laser multipulse microprocessing of silicon (the laser spot diameter is less than 100 μm, and the repetition rate of pulses is about 100 kHz), the radial heat removal cannot be neglected in the analysis of heat accumulation processes. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Plasmon generation in sputtered Ga-doped MgZnO thin films for solar cell applications

The crystalline, electrical, morphological, optical properties and plasmonic behaviour of Ga doped MgZnO (GMZO) thin films grown at different substrate temperatures (200–600 °C) by a dual ion beam sputtering (DIBS) system are investigated. Transmittance value of more than ∼94% in 400–1000 nm region is observed for all GMZO films. The particle plasmon features can be detected in the absorption coefficient spectra of GMZO grown at 500 and 600 °C in the form of a peak at ∼4.37 eV, which corresponds to a plasmon resonance peak of nanoclusters formed in GMZO. The presence of such plasmonic features is confirmed by ultraviolet photoelectron spectroscopy measurements. The values of particle plasmon resonance energy of various nanoclusters are in the range of solar spectrum, and these can easily be tuned and excited at the desirable wavelengths while optimizing the efficiency of solar cells (SCs) by simple alteration of DIBS growth temperature. These nanoclusters are extremely promising to enhance the optical scattering and trapping of the incident light, which increases the optical path length in the absorber layer of cost-effective SCs and eventually increases its efficiency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗