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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Possible atomic structures responsible for the sub-bandgap absorption of chalcogen-hyperdoped silicon

Single-crystal silicon was hyperdoped with sulfur, selenium, and tellurium using ion implantation and nanosecond laser melting. The hyperdoping of such chalcogen elements led to strong and wide sub-bandgap light absorption. Annealing the hyperdoped silicon, even at low temperatures (such as 200–400 °C), led to attenuation of the sub-bandgap absorption. To explain the attenuation process, we modeled it as chemical decomposition reaction from an optically absorbing structure to a non-absorbing structure. Attenuation of the experimental absorption coefficient was fit using the Arrhenius equation. From the fitted data, we extracted the reaction activation energies of S-, Se-, and T-hyperdoped silicon as 0.338 ± 0.029 eV, 0.471 ± 0.040 eV, and 0.357 ± 0.028 eV, respectively. We discuss these activation energies in terms of the bond energies of chalcogen–Si metastable bonds, and suggest that several high-energy interstitial sites, rather than substitutional sites, are candidates for the atomic structures that are responsible for the strong sub-bandgap absorption of chalcogen hyperdoped silicon.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Extension of the quasistatic far-wing line shape theory to multicomponent anisotropic potentials

The formalism developed previously for the calculation of the far-wing line shape function and the corresponding absorption coefficient using a single-component anisotropic interaction term and the binary collision and quasistatic approximations is generalized to multicomponent anisotropic potential functions. Explicit expressions are presented for several common cases, including the long-range dipole-dipole plus dipole-quadrupole interaction and a linear molecule interacting with a perturber atom. After determining the multicomponent functional representation for the interaction between the CO2 and Ar from previously published data, we calculate the theoretical line shape function and the corresponding absorption due to the nu(sub 3) band of CO2 in the frequency range 2400-2580 cm(exp -1) and compare our results with previous calculations carried out using a single-component anisotropic interaction, and with the results obtained assuming Lorentzian line shapes. The principal uncertainties in the present results, possible refinements of the theoretical formalism, and the applicability to other systems are discussed briefly.

Ma, Q.↗
DOE OSTI2016

Thermal annealing induced structural and optical properties of Se{sub 72}Te{sub 25}In{sub 3} thin films

Thin films of a- Se{sub 72}Te{sub 25}In{sub 3} were prepared by vacuum evaporation technique in a base pressure of 10{sup -6} Torr on to well cleaned glass substrate. a-Se{sub 72}Te{sub 25}In{sub 3} thin films were annealed at different temperatures below their crystallization temperatures for 2h. The structural analysis of the films has been investigated using X-ray diffraction technique. The optical absorption spectra of these films were measured in the wavelength range 400-1100 nm in order to derive the absorption coefficient of these films. The optical band gap of as prepared and annealed films as a function of photon energy has been studied. It has been found that the optical band gap decreases with increasing annealing temperatures in the present system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Absorption/transmission measurements of PSAP particle-laden filters from the Biomass Burning Observation Project (BBOP) field campaign

Absorptivity measurements with a laser-heating approach, referred to as the laser-driven thermal reactor (LDTR), were carried out in the infrared and applied at ambient (laboratory) nonreacting conditions to particle-laden filters from a three-wavelength (visible) particle/soot absorption photometer (PSAP). Here, the particles were obtained during the Biomass Burning Observation Project (BBOP) field campaign. The focus of this study was to determine the particle absorption coefficient from field-campaign filter samples using the LDTR approach, and compare results with other commercially available instrumentation (in this case with the PSAP, which has been compared with numerous other optical techniques).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Rare-earth doped transparent ceramics for spectral filtering and quantum information processing

Homogeneous linewidths below 10 kHz are reported for the first time in high-quality Eu{sup 3+} doped Y {sub 2}O{sub 3} transparent ceramics. This result is obtained on the {sup 7}F{sub 0}→{sup 5}D{sub 0} transition in Eu{sup 3+} doped Y {sub 2}O{sub 3} ceramics and corresponds to an improvement of nearly one order of magnitude compared to previously reported values in transparent ceramics. Furthermore, we observed spectral hole lifetimes of ∼15 min that are long enough to enable efficient optical pumping of the nuclear hyperfine levels. Additionally, different Eu{sup 3+} concentrations (up to 1.0%) were studied, resulting in an increase of up to a factor of three in the peak absorption coefficient. These results suggest that transparent ceramics can be useful in applications where narrow and deep spectral holes can be burned into highly absorbing lines, such as quantum information processing and spectral filtering.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Contributions of biomass-burning, urban, and biogenic emissions to the concentrations and light-absorbing properties of particulate matter in central Amazonia during the dry season

Urbanization and deforestation have important impacts on atmospheric particulate matter (PM) over Amazonia. This study presents observations and analysis of PM1 concentration, composition, and optical properties in central Amazonia during the dry season, focusing on the anthropogenic impacts. The primary study site was located 70 km downwind of Manaus, a city of over 2 million people in Brazil, as part of the GoAmazon2014/5 experiment. A high-resolution time-of-flight aerosol mass spectrometer (AMS) provided data on PM1 composition, and aethalometer measurements were used to derive the absorption coefficient babs,BrC of brown carbon (BrC) at 370 nm. Non-refractory PM1 mass concentrations averaged 12.2 µg m -3 at the primary study site, dominated by organics (83 %), followed by sulfate (11 %). A decrease in babs,BrC was observed as the mass concentration of nitrogen-containing organic compounds decreased and the organic PM1 O:C ratio increased, suggesting atmospheric bleaching of the BrC components. The organic PM1 was separated into six different classes by positive-matrix factorization (PMF), and the mass absorption efficiency Eabs associated with each factor was estimated through multivariate linear regression of babs,BrC on the factor loadings. The largest Eabs values were associated with urban (2.04±0.14 m2 g -1 ) and biomass-burning (0.82±0.04 to 1.50±0.07 m2 g -1 ) sources. Together, these sources contributed at least 80 % of babs,BrC while accounting for 30 % to 40 % of the organic PM1 mass concentration. In addition, a comparison of organic PM1 composition between wet and dry seasons revealed that only part of the 9-fold increase in mass concentration between the seasons can be attributed to biomass burning. Biomass-burning factor loadings increased by 30-fold, elevating its relative contribution to organic PM1 from about 10 % in the wet season to 30 % in the dry season. However, most of the PM1 mass (>60 %) in both seasons was accounted for by biogenic secondary organic sources, which in turn showed an 8-fold seasonal increase in factor loadings. A combination of decreased wet deposition and increased emissions and oxidant concentrations, as well as a positive feedback on larger mass concentrations are thought to play a role in the observed increases. Furthermore, fuzzy c-means clustering identified three clusters, namely “baseline”, “event”, and “urban” to represent different pollution influences during the dry season. The baseline cluster, representing the dry season background, was associated with a mean mass concentration of 9±3 µg m -3 . This concentration increased on average by 3 µg m -3 for both the urban and the event clusters. The event cluster, representing an increased influence of biomass burning and long-range transport of African volcanic emissions, was characterized by remarkably high sulfate concentrations. The urban cluster, representing the influence of Manaus emissions on top of the baseline, was characterized by an organic PM1 composition that differed from the other two clusters. The differences discussed suggest a shift in oxidation pathways as well as an accelerated oxidation cycle due to urban emissions, in agreement with findings for the wet season.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Linear and nonlinear optical properties of SrBi{sub 4}Ti{sub 4}O{sub 15} thin films

Polycrystalline SrBi{sub 4}Ti{sub 4}O{sub 15} thin films with good morphology and layered perovskite structure were fabricated on fused silica substrates using r f magnetron sputtering system at various oxygen mixing percentages (25 and 50). The crystallite sizes of the particles are in 17-28 nm range. The Nonlinear optical properties were investigated by using Z-scan method at a wavelength of 800 nm with 2 ps duration pulses. The films exhibit the fast and giant optical nonlinearities having the two-photon absorption coefficient (β) with magnitude of 10{sup −8}-10{sup −9} cm/W and the nonlinear refraction coefficient of ∼10{sup −12} cm{sup 2}/W. These results indicate SrBi{sub 4}Ti{sub 4}O{sub 15} thin films are promising candidates for applications in nonlinear optical and optical signal processing devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Absorption by H2O and H2O-N2 mixtures at 153 GHz

New experimental data on and a theoretical analysis of the absorption coefficient at 153 GHz are presented for pure water vapor and water vapor-nitrogen mixtures. This frequency is 30 GHz lower than the resonant frequency of the nearest strong water line (183 GHz) and complements our previous measurements at 213 GHz. The pressure dependence is observed to be quadratic in the case of pure water vapor, while in the case of mixtures there are both linear and quadratic density components. By fitting our experimental data taken at several temperatures we have obtained the temperature dependence of the absorption. Our experimental data are compared to several theoretical models with and without a continuum contribution, and we find that none of the models is in very good agreement with the data; in the case of pure water vapor, the continuum contribution calculated using the recent theoretical absorption gives the best results. In general, the agreement between the data and the various models is less satisfactory than found previously in the high-frequency wing. The anisotropy in the observed absorption differs from that currently used in atmospheric models.

Bauer, A.↗
DOE OSTI2014

Controlled bipolar doping in Cu{sub 3}N (100) thin films

We have fabricated insulating, p- and n-type Cu{sub 3}N(100) films on SrTiO{sub 3}(100) by plasma assisted molecular beam epitaxy. By controlling the Cu/N flux rate, p-type doping with 10{sup 18}–10{sup 20 }cm{sup −3} in Cu-poor condition and n-type doping with 10{sup 19}–10{sup 20 }cm{sup −3} in N-poor condition were obtained without introducing foreign species. Together with formation of insulating Cu{sub 3}N films with an optical absorption coefficient of ∼10{sup 5 }cm{sup −1} in the photon energy above ∼2.2 eV and an estimated indirect bandgap of ∼1.3 eV, the bipolar doping in Cu{sub 3}N films would be promising for solar energy conversion applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Cross two photon absorption in a silicon photonic crystal waveguide fiber taper coupler with a physical junction

Cross two photon absorption in silicon is characterized using a tapered fiber photonic crystal silicon waveguide coupler. There is a physical junction between the tapered fiber and the waveguide constituting a stand-alone device. This device is used to obtain the spectrum for cross two photon absorption coefficient per unit volume of interaction between photons of nondegenerate energy. The corresponding Kerr coefficient per unit volume of interaction is also experimentally extracted. The thermal resistance of the device is also experimentally determined and the response time of the device is estimated for on-chip all-optical signal processing and data transfer between optical signals of different photon energies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Optical properties of armchair (7, 7) single walled carbon nanotubes

Full potential linearized augmented plane waves method with the generalized gradient approximation for the exchange-correlation potential was applied to calculate the optical properties of (7, 7) single walled carbon nanotubes. The both x and z directions of the incident photons were applied to estimate optical gaps, dielectric function, electron energy loss spectroscopies, optical conductivity, optical extinction, optical refractive index and optical absorption coefficient. The results predict that dielectric function, ε (ω), is anisotropic since it has higher peaks along z-direction than x-direction. The static optical refractive constant were calculated about 1.4 (z-direction) and 1.1 (x- direction). Moreover, the electron energy loss spectroscopy showed a sharp π electron plasmon peaks at about 6 eV and 5 eV for z and x-directions respectively. The calculated reflection spectra show that directions perpendicular to the tube axis have further optical reflection. Moreover, z-direction indicates higher peaks at absorption spectra in low range energies. Totally, increasing the diameter of armchair carbon nanotubes cause the optical band gap, static optical refractive constant and optical reflectivity to decrease. On the other hand, increasing the diameter cause the optical absorption and the optical conductivity to increase. Moreover, the sharp peaks being illustrated at optical spectrum are related to the 1D structure of CNTs which confirm the accuracy of the calculations.

36 MATERIALS SCIENCE↗
NASA NTRS1992

A far wing line shape theory and its application to the water vibrational bands (II)

Attention is given to a far wing line shape theory based on binary collision and quasi-static approximations. The theory is applicable for both the LF and HF wings of vibrational-rotational bands. It is used to calculate the frequency and temperature dependence of the continuous absorption coefficient for frequencies up to 10,000/cm for pure water vapor. The results are compared with existing laboratory data in the 2400-2700/cm window and in the 3000-4300/cm band center region, with field measurements in the 2000-2225/cm region and with a recent experimental measurement near 9466/cm. It is concluded that both the magnitude and temperature dependence of the water vapor continuum can be accounted for by the present theory without the introduction of any adjustable parameters. Refinements of the theory and extension to foreign-broadened absorption are also discussed.

Ma, Q.↗
DOE OSTI2015

First-principles energy band calculation of Ruddlesden–Popper compound Sr{sub 3}Sn{sub 2}O{sub 7} using modified Becke–Johnson exchange potential

The electronic structure of Sr{sub 3}Sn{sub 2}O{sub 7} is evaluated by the scalar-relativistic full potential linearized augmented plane wave (FLAPW+lo) method using the modified Becke–Johnson potential (Tran–Blaha potential) combined with the local density approximation correlation (MBJ–LDA). The fundamental gap between the valence band (VB) and conduction band (CB) is estimated to be 3.96 eV, which is close to the experimental value. Sn 5s states and Sr 4d states are predominant in the lower and upper CB, respectively. On the other hand, the lower VB is mainly composed of Sn 5s, 5p, and O 2p states, while the upper VB mainly consists of O 2p states. These features of the DOS are well reflected by the optical transition between the upper VB and lower CB, as seen in the energy dependence of the dielectric function. Furthermore, the absorption coefficient estimated from the MBJ–LDA is similar to the experimental result. - Graphical abstract: Calculated energy band structure along the symmetry lines of the first BZ of Sr{sub 3}Sn{sub 2}O{sub 7} crystal obtained using the MBJ potential. - Highlights: • Electronic structure of Sr{sub 3}Sn{sub 2}O{sub 7} is calculated on the basis of MBJ–LDA method for the first time. • Band gap of Sr{sub 3}Sn{sub 2}O{sub 7} is determined accurately on the basis of MBJ–LDA method. • The experimental absorption spectrum of Sr{sub 3}Sn{sub 2}O{sub 7} produced by MBJ–LDA is more accurate than that obtained by GGA method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Ultrafast recovery time and broadband saturable absorption properties of black phosphorus suspension

As a new type of two-dimensional crystal material, black phosphorus (BP) exhibits excellent electronics and optical performance. Herein, we focus on carrier relaxation dynamics and nonlinear optical properties of BP suspension. Atomic force microscopy, transmission electron microscopy, and optical transmission spectrum are employed to characterize the structure and linear optical properties of the BP. Additionally, pump-probe experiments at wavelength of 1550 nm were carried out to study the carrier dynamics in BP suspension, and ultrafast recovery time was observed (τ{sub s} = 24 ± 2 fs). Furthermore, we demonstrate the saturable absorption signals by open aperture Z-scan experiments at wavelengths of 1550 nm, 532 nm, and 680 nm. The results indicate that BP has broadband saturable absorption properties and the nonlinear absorption coefficients were determined to be β{sub 2} = −0.20 ± 0.08 × 10{sup −3 }cm/GW (532 nm), β{sub 2} = −0.12 ± 0.05 × 10{sup −3 }cm/GW (680 nm), and β{sub 2} = −0.15 ± 0.09 × 10{sup −3 }cm/GW (1550 nm)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A comprehensive simulation model of the performance of photochromic films in absorbance-modulation-optical-lithography

Optical lithography is the most prevalent method of fabricating micro-and nano-scale structures in the semiconductor industry due to the fact that patterning using photons is fast, accurate and provides high throughput. However, the resolution of this technique is inherently limited by the physical phenomenon of diffraction. Absorbance-Modulation-Optical Lithography (AMOL), a recently developed technique has been successfully demonstrated to be able to circumvent this diffraction limit. AMOL employs a dual-wavelength exposure system in conjunction with spectrally selective reversible photo-transitions in thin films of photochromic molecules to achieve patterning of features with sizes beyond the far-field diffraction limit. We have developed a finite-element-method based full-electromagnetic-wave solution model that simulates the photo-chemical processes that occur within the thin film of the photochromic molecules under illumination by the exposure and confining wavelengths in AMOL. This model allows us to understand how the material characteristics influence the confinement to sub-diffraction dimensions, of the transmitted point spread function (PSF) of the exposure wavelength inside the recording medium. The model reported here provides the most comprehensive analysis of the AMOL process to-date, and the results show that the most important factors that govern the process, are the polarization of the two beams, the ratio of the intensities of the two wavelengths, the relative absorption coefficients and the concentration of the photochromic species, the thickness of the photochromic layer and the quantum yields of the photoreactions at the two wavelengths. The aim of this work is to elucidate the requirements of AMOL in successfully circumventing the far-field diffraction limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Kapitza thermal resistance studied by high-frequency photothermal radiometry

Kapitza thermal resistance is determined using high-frequency photothermal radiometry (PTR) extended for modulation up to 10 MHz. Interfaces between 50 nm thick titanium coatings and silicon or stainless steel substrates are studied. In the used configuration, the PTR signal is not sensitive to the thermal conductivity of the film nor to its optical absorption coefficient, thus the Kapitza resistance is directly determined from single thermal parameter fits. Results of thermal resistances show the significant influence of the nature of the substrate, as well as of the presence of free electrons at the interface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Description of Emission Processes in Molecular Gases Based with the HITRAN Database

Methods for calculating the emission characteristics of a molecular gas in vibrational–rotational transitions involving information collected in the HITRAN database have been discussed. It has been shown that a series of vibrational–rotational transitions induced by the absorption of photons by CO{sub 2} molecules lead to the formation of unstable autoionizing states. Algorithms for calculating the partial absorption coefficients and radiation fluxes from the bulk of the molecular gas have been developed involving the HITRAN database. Advantages and disadvantages of this approach for calculating the emission characteristics of molecular gas layers have been discussed. The results have been demonstrated in application to carbon dioxide and methane in the Earth’s atmosphere.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

Solid-state spectral transmissometer and radiometer

An in situ instrument designed to measure the spectral attenuation coefficient of seawater and the ocean remote-sensing reflectance from 400 to 750 nm is in the test and development stage. It employs a 256 channel, charge-coupled type of linear array measuring the spectral intensities diffracted by a grating. Examples of the types of data delivered by this instrument have been simulated using a breadboard laboratory instrument and an above-water, solid-state radiometer. Algorithms developed using data from these instruments provide measures of chlorophyll a plus phaeophytin a concentrations from less than 0.1 to 77.0 mg/cu m, gelbstoff spectral absorption coefficients, and detrital spectral backscattering coefficients for waters of the west Florida shelf.

Carder, K. L.↗