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DOE OSTI2022

Comparing Calibration Algorithms for the Rapid Characterization of Pretreated Corn Stover Using Near-Infrared Spectroscopy

Rapid characterization of biomass composition is a key enabling technology for biorefineries—the ability to measure the chemical composition of biomass materials entering the biorefinery as well as the composition of key process intermediate streams would allow real-time process control and the development of robust models to predict process performance. The utility of near-infrared (NIR) spectroscopy for rapid characterization requires multivariate algorithms for building calibration models. The most prevalent algorithm used for building calibration models using NIR spectra is the linear modeling algorithm Partial Least Squares Regression (PLS). Nonlinear regression algorithms (which are typically more computationally intensive than linear modeling approaches) have gained popularity in recent years due to their ability to solve a wide variety of classification and regression problems and the dramatic increase in available computational resources. In this work, we demonstrate that a calibration model can predict the composition of corn stover process intermediate samples pretreated with three different treatments—hot water (HW), dilute acid (DA), and deacetylation followed by dilute acid (DDA). We quantitatively compare three different algorithms for building prediction models based on near-infrared spectroscopy—partial least squares (PLS), support vector machines (SVM), and random forests (RF). We demonstrate the utility of improving model performance by accounting for instrument performance variability using repeated measurements of standard materials (e.g., the “repeatability file” strategy) and investigate its performance with nonlinear regression techniques, and we discuss methods for quantifying the uncertainties of specific predictions among the three methods.

09 BIOMASS FUELS↗

NASA NTRS2018

Detection of Photospheric Features in the Near-Infrared Spectrum of a Class 0 Protostar

We present a near-infrared K-band R ≃ 1500 Keck spectrum of S68N, a Class 0 protostar in the Serpens molecular cloud. The spectrum shows a very red continuum, CO absorption bands, weak or non-existent atomic metal absorptions, and H2 emission lines. The near-IR H2 emission is consistent with excitation in shocks or by X-rays but not by UV radiation. We model the absorption component as a stellar photosphere plus circumstellar continuum emission with wavelength-dependent extinction. A Markov Chain Monte Carlo analysis shows that the most likely model parameters are consistent with a low-temperature, low-gravity photosphere with signifi cant extinction and no more than modest continuum veiling. Its T(eff) ≃ 3260 K effective temperature is similar to that of older, more evolved pre-main-sequence stars, but its surface gravity log g ≃ 2:4 cm/sq.s is approximately 1 dex lower. This implies that the radius of this protostar is a factor of ~ 3 larger than that of 106 yr old T Tauri stars. Its low veiling is consistent with a circumstellar disk having intrinsic near-IR emission that is less than or equal to that of more evolved Class I protostars. Along with the high extinction, this suggests that most of the circumstellar material is in a cold envelope, as expected for a Class 0 protostar. This is the first known detection and analysis of a Class 0 protostar absorption spectrum.

Thomas P Greene↗

DOE OSTI2020

High-resolution Near-infrared Spectroscopic Study of Galactic Supernova Remnants. I. Kinematic Distances

We have carried out high-resolution near-infrared spectroscopic observations toward 16 Galactic supernova remnants (SNRs) showing strong H 2 emission features. A dozen bright H 2 emission lines are clearly detected for individual SNRs, and we have measured their central velocities, line widths, and fluxes. For all SNRs except one (G9.9–0.8), the H 2 line ratios are well consistent with that of thermal excitation at T ~ 2000 K, indicating that the H 2 emission lines are most likely from shock-excited gas and therefore that they are physically associated with the remnants. The kinematic distances to the 15 SNRs are derived from the central velocities of the H 2 lines using a Galactic rotation model. We derive for the first time the kinematic distances to four SNRs: G13.5+0.2, G16.0–0.5, G32.1–0.9, and G33.2–0.6. Among the remaining 11 SNRs, the central velocities of the H 2 emission lines for six SNRs are well consistent (±5 km s -1 ) with those obtained in previous radio observations, while for the other five SNRs (G18.1–0.1, G18.9–1.1, Kes 69, 3C 396, W49B) they are significantly different. We discuss the velocity discrepancies in these five SNRs. In G9.9–0.8, the H 2 emission shows nonthermal line ratios and narrow line width (~4 km s -1 ), and we discuss its origin.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1991

Optimum combinations of visible and near-infrared reflectances for estimating the fraction of photosynthetically available radiation absorbed by plants

A useful parameter to estimate terrestrial primary productivity, that can be sensed from space, is the daily averaged fraction of Photosynthetically Available Radiation (PAR) absorbed by plants. To evaluate this parameter, investigators have relied on the fact that the relative amount of radiation reflected by a vegetated surface in the visible and near infrared depends on the fraction of the surface covered by the vegetation and therefore, correlates with absorbed PAR. They have used vegetation indices, namely normalized difference and simple ratio, to derive absorbed PAR. The problem with normalized difference and simple ratio is first, they are non linear functions of radiance or reflectance and therefore, cannot be readily applied to heterogeneous targets, second, they are used in generally nonlinear relationships, which make time integrals of the indices not proportional to primary productivity, and third, the relationships depend strongly on the type of canopy and background. To remove these limitations, linear combinations of visible and near infrared reflectances at optimum (one or two) viewing zenith angles are proposed.

Podaire, Alain↗

NASA NTRS2003

Near-infrared detection of potential evidence for microscopic organisms on Europa

The possibility of an ocean within the icy shell of Jupiter's moon Europa has established that world as a primary candidate in the search for extraterrestrial life within our Solar System. This paper evaluates the potential to detect evidence for microbial life by comparing laboratory studies of terrestrial microorganisms with measurements from the Galileo Near Infrared Imaging Spectrometer (NIMS). If the interior of Europa at one time harbored life, some evidence may remain in the surface materials. Examination of laboratory spectra of terrestrial extremophiles measured at cryogenic temperatures reveals distorted, asymmetric nearinfrared absorption features due to water of hydration. The band centers, widths, and shapes of these features closely match those observed in the Europa spectra. These features are strongest in reddish-brown, disrupted terrains such as linea and chaos regions. Narrow spectral features due to amide bonds in the microbe proteins provide a means of constraining the abundances of such materials using the NIMS data. The NIMS data of disrupted terrains exhibit distorted, asymmetric near-infrared absorption features consistent with the presence of water ice, sulfuric acid octahydrate, hydrated salts, and possibly as much as 0.2 mg cm(-3) of carbonaceous material that could be of biological origin. However, inherent noise in the observations and limitations of spectral sampling must be taken into account when discussing these findings.

Extraterrestrial Environment↗

NASA NTRS2005

Observations with Near Infrared Spectrometer for Hayabusa Mission in the Cruising Phase

NIRS is a near infrared spectrometer on-board the spacecraft HAYABUSA, which aims to return samples from a near-earth asteroid, 25143 Itokawa. HAYABUSA was successfully launched by Japanese M-V-5 rocket on May 9, 2003. After the successful earth swing-by on May 19, 2004, the spacecraft is now on the way toward the asteroid, where it will arrive in this summer. During the rendezvous phase with the asteroid, we will observe the asteroid surface using NIRS and obtain reflectance spectra of the surface materials across the wavelength range of 850nm to 2100nm. Based on ground-based observations [1],[2],[3], 25143 Itokawa appears to be an S(IV) type asteroid. NIRS can detect absorption bands due to olivine and pyroxene and investigate the mineralogical composition of the surface materials, and reveal a relationship between asteroids and meteorites.

Abe, M.↗

NASA NTRS2009

Eta Carinae across the 2003.5 Minimum: Analysis in the Visible and Near Infrared Spectral Region

We present an analysis of the visible through near infrared spectrum of Eta Car and its ejecta obtained during the "Eta Car Campaign with the Ultraviolet and Visual Echelle Spectrograph (UVES) at the ESO Very Large Telescope (VLT)". This is a part of the larger effort to present a complete Eta Car spectrum, and extends the previously presented analyses with the Hubble Space Telescope/Space Telescope Imaging Spectrograph (HST/STIS) in the UV (1240-3159 Angstrom) to 10,430 Angstrom. The spectrum in the mid and near UV is characterized by the ejecta absorption. At longer wavelengths, stellar wind features from the central source and narrow emission lines from the Weigelt condensations dominate the spectrum. However, narrow absorption lines from the circumstellar shells are present. This paper provides a description of the spectrum between 3060 and 10,430 Angstroms, including line identifications of the ejecta absorption spectrum, the emission spectrum from the Weigelt condensations and the P-Cygni stellar wind features. The high spectral resolving power of VLT/UVES enables equivalent width measurements of atomic and molecular absorption lines for elements with no transitions at the shorter wavelengths. However, the ground based seeing and contributions of nebular scattered radiation prevent direct comparison of measured equivalent widths in the VLT/UVES and HST/STIS spectra. Fortunately, HST/STIS and VLT/UVES have a small overlap in wavelength coverage which allows us to compare and adjust for the difference in scattered radiation entering the instruments' apertures. This paper provides a complete online VLT/UVES spectrum with line identifications and a spectral comparison between HST/STIS and VLT/UVES between 3060 and 3160 Angstroms.

Nielsen, K. E.↗

DOE OSTI2022

Bright, Modular, and Switchable Near-Infrared II Emission from Compact Tetrathiafulvalene-Based Diradicaloid Complexes

Near-infrared (NIR)-emitting molecules are promising candidates for biological sensing and imaging applications; however, many NIR dyes are large conjugated systems which frequently have issues with stability, solubility, and tunability. Here, we report a novel class of compact and tunable fluorescent diradicaloid complexes which are air-, water-, light-, and temperature-stable. These properties arise from a compressed pi manifold which promotes an intense ligand-centered π-π transition in the NIR II (1000-1700 nm) region and which subsequently emits at similar to ~1200 nm. This emission is among the brightest known for monomolecular lumiphores with deep NIR II (>1100 nm) emission, nearly an order of magnitude brighter than the commercially available NIR II dye IR 26. Additionally, this fluorescence is electrochemically sensitive, with efficient switching upon addition of redox agents. The brightness, stability, and modularity of this system distinguish it as a promising candidate for the development of new technologies built around NIR emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1998

Evaluation of Manganese Doped Ca5(PO4)3F as a Near Infrared (1-2 microns) Solid-State Laser Material

Tunable solid-state lasers are of enormous interest for applications including fundamental spectroscopy, remote sensing of the earth atmosphere, medical surgery, and optical communications. Efficient and widely tunable lasers have been developed for the 800-1100 nm region based on transition metal doped insulators like e.g. Ti:Sapphire. The development of transition metal lasers operating at longer wavelength, however, has been limited by the luminescence efficiency of existing materials. We are currently evaluating Mn doped Ca5(PO4)3F as a new solid-state laser material for the 1-2 micro-m region. Preliminary spectroscopic studies revealed that Mn:Ca5(PO4)3F exhibits an intense near infrared luminescence which extends from 1100-1300 nm. Based on lifetime measurements we estimated the luminescence quantum efficiency to be as high as 90 deg./0 at room temperature. The near infrared luminescence properties of Mn doped Ca5(PO4)3F and its potential for solid-state laser applications will be discussed in detail.

Turner, Matthew↗

NASA NTRSDate not supplied

Elemental Abundances of nearby M Dwarfs Based on High-resolution Near-infrared Spectra Obtained by the Subaru/IRD Survey: Proof of Concept

Detailed chemical analyses of M dwarfs are scarce but necessary to constrain the formation environment and internal structure of planets being found around them. We present elemental abundances of 13 M dwarfs (2900 < T eff < 3500 K) observed in the Subaru/IRD planet search project. They are mid- to late-M dwarfs whose abundance of individual elements has not been well studied. We use the high-resolution (∼70,000) near-infrared (970–1750 nm) spectra to measure the abundances of Na, Mg, Si, K, Ca, Ti, V, Cr, Mn, Fe, and Sr by the line-by-line analysis based on model atmospheres, with typical errors ranging from 0.2 dex for [Fe/H] to 0.3–0.4 dex for other [X/H]. We measure radial velocities from the spectra and combine them with Gaia astrometry to calculate the Galactocentric space velocities UVW . The resulting [Fe/H] values agree with previous estimates based on medium-resolution K-band spectroscopy, showing a wide distribution of metallicity (−0.6 < [Fe/H] < +0.4). The abundance ratios of individual elements [X/Fe] are generally aligned with the solar values in all targets. While the [X/Fe] distributions are comparable to those of nearby FGK stars, most of which belong to the thin-disk population, the most metal-poor object, GJ 699, could be a thick-disk star. The UVW velocities also support this. The results raise the prospect that near-infrared spectra of M dwarfs obtained in the planet search projects can be used to grasp the trend of elemental abundances and the Galactic stellar population of nearby M dwarfs.

Hiroyuki Tako Ishikawa↗

DOE OSTI2024

The DEHVILS in the details: Type Ia supernova Hubble residual comparisons and mass step analysis in the near-infrared

Measurements of type Ia supernovae (SNe Ia) in the near-infrared (NIR) have been used both as an alternate path to cosmology compared to optical measurements and as a method of constraining key systematics for the larger optical studies. With the DEHVILS sample, the largest published NIR sample with consistent NIR coverage of maximum light across three NIR bands ( Y, J , and H ), we check three key systematics: (i) the reduction in Hubble residual scatter as compared to the optical, (ii) the measurement of a “mass step” or lack thereof and its implications, and (iii) the ability to distinguish between various dust models by analyzing slopes and correlations between Hubble residuals in the NIR and optical. We produce SN Ia simulations of the DEHVILS sample and find that it is harder to differentiate between various dust models than previously understood. Additionally, we find that fitting with the current SALT3-NIR model does not yield accurate wavelength-dependent stretch-luminosity correlations, and we propose a limited solution for this problem. From the data, we see that (i) the standard deviation of Hubble residual values from NIR bands treated as standard candles are 0.007–0.042 mag smaller than those in the optical, (ii) the NIR mass step is not constrainable with the current sample size of 47 SNe Ia from DEHVILS, and (iii) Hubble residuals in the NIR and optical are correlated in the data. We test a few variations on the number and combinations of filters and data samples, and we observe that none of our findings or conclusions are significantly impacted by these modifications.

Astronomy & Astrophysics↗

DOE OSTI2021

IGRINS RV: A Precision Radial Velocity Pipeline for IGRINS Using Modified Forward Modeling in the Near-infrared

Application of the radial velocity (RV) technique in the near-infrared is valuable because of the diminished impact of stellar activity at longer wavelengths, making it particularly advantageous for the study of late-type stars but also for solar-type objects. In this paper, we present the IGRINS RV open-source python pipeline for computing infrared RV measurements from reduced spectra taken with IGRINS, an R ≡ λ/Δλ ∼ 45,000 spectrograph with simultaneous coverage of the H band (1.49–1.80 μm) and K band (1.96–2.46 μm). Using a modified forward-modeling technique, we construct high-resolution telluric templates from A0 standard observations on a nightly basis to provide a source of common-path wavelength calibration while mitigating the need to mask or correct for telluric absorption. Telluric standard observations are also used to model the variations in instrumental resolution across the detector, including a yearlong period when the K band was defocused. Without any additional instrument hardware, such as a gas cell or laser frequency comb, we are able to achieve precisions of 26.8 m s{sup −1} in the K band and 31.1 m s{sup −1} in the H band for narrow-line hosts. These precisions are empirically determined by a monitoring campaign of two RV standard stars, as well as the successful retrieval of planet-induced RV signals for both HD 189733 and τ Boo A; furthermore, our results affirm the presence of the Rossiter–McLaughlin effect for HD 189733. The IGRINS RV pipeline extends another important science capability to IGRINS, with publicly available software designed for widespread use.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1987

Compositional stratigraphy of crustal material from near-infrared spectra

An Earth-based telescopic program to acquire near-infrared spectra of freshly exposed lunar material now contains data for 17 large impact craters with central peaks. Noritic, gabbroic, anorthositic and troctolitic rock types can be distinguished for areas within these large craters from characteristic absorptions in individual spectra of their walls and central peaks. Norites dominate the upper lunar crust while the deeper crustal zones also contain significant amounts of gabbros and anorthosites. Data for material associated with large craters indicate that not only is the lunar crust highly heterogeneous across the nearside, but that the compositional stratigraphy of the lunar crust is nonuniform. Crustal complexity should be expected for other planetary bodies, which should be studied using high spatial and spectral resolution data in and around large impact craters.

Pieters, Carle M.↗

NASA NTRS1992

The near-infrared counterpart of a variable galactic plane radio source

A near-infrared counterpart to the highly variable, unresolved galactic plane radio source GT 0116 + 622 is identified. This source is of particular interest, as it has been previously suggested to be the counterpart of the gamma-ray source Cas gamma-l. The present NIR and red images detect a faint, spatially extended (3 arcsec FWHM), very red object coincident with the radio position. There is complex spatial structure which may be due in part to an unrelated superposed foreground object. Observations on multiple nights show no evidence for flux variability, despite the high amplitude variability on a time-scale of days reported for the radio source. The data are consistent with an interpretation of GT 0116 + 622 as an unusually variable, obscured active galaxy at a distance of several hundred megaparsecs, although more exotic, and in particular galactic, interpretations cannot yet be ruled out. If the object is extragalactic, the previously suggested identification with the gamma-ray source would seem unlikely.

Margon, Bruce↗

NASA NTRS1992

Near-Infrared Mapping Spectrometer experiment on Galileo

The Galileo Mission's Near-Infrared Mapping Spectrometer (NIMS) combines imaging and spectroscopic methods to map morphological features, ascertain their chemical composition and mineralogy, investigate surface-geology evolution, and measure the parameters of transient atmospheric phenomena. NIMS will investigate Jupiter and the Galilean satellites during a two-year orbital operation period, beginning in December, 1995. En route, NIMS will have obtained data for Venus, the earth/moon system, and two asteroids. NIMS covers the 0.7-5.2 micron spectral range, thereby encompassing the reflected-sunlight and thermal-radiation regimes for numerous solar system objects.

Carlson, R. W.↗

NASA NTRS1993

Near-infrared absorptions of monomethylhydrazine

The peak absorption coefficients for two near-infrared absorptions of monomethylhydrazine, CH3-N2H3, (MMH) were measured. Absorption bands located at 1.524 micrometers (6560/cm), 1.557 micrometers (6423/cm), and 1.583 micrometers (6316/cm) are assigned to the Delta upsilon = 2 overtones of the infared N-H stretching fundamentals at 3317, 3245 and 3177/cm. An absorption band located at 1.04 micrometers (9620 +/- 100/cm) is assigned to the Delta upsilon = 3 overtone of one of these fundamentals. The peak absorption coefficients (alpha(sub 10)) at 1.524 micrometers (6560 +/- 20/cm) and 1.04 micrometers (9620 +/- 100/cm) are 31 x 10(exp -3) and 0.97 x 10(exp -3)/(cm atm), respectively. Uncertainties in these coefficients were estimated to be less than +/- 20% due primarily to uncertainties in the partial vapor pressure of MMH.

Murray, Mark↗

NASA NTRS1994

Near-infrared spectroscopy of primitive solar system objects

We have obtained near-infrared (H and K band at lambda/Delta(lambda) is approximately 480 to 600) spectra of a sample of primitive objects including 2 Centaur objects (2060 Chiron and 5145 Pholus) and 16 P- and D-type asteroids. The spectra were obtained at the United Kingdom Infrared Telescope using the cooled grating spectrometer CGS4, and were used to search for chemically diagnostic vibrational features in these primitive objects. Pholus exhibits broad adsorption features at 2.07 and 2.27 micrometers, as well as a weak feature at 1.72 micrometers. The 1.72- and 2.27-micrometer features are similar to those seen in a laboratory tar sand sample. No distinct absorption features are found in other objects, including Chiron, which displays a spectrally neutral continuum. A comparison of the P- and D-type asteroid spectra with laboratory measurements of organic solids shows no compelling evidence for hydrocarbon overtones seen in terrestrial bituminous tar sands.

Luu, Jane↗

NASA NTRS2001

A Faint Near-Infrared Counterpart to the AXP 1E 2259+58.6

We present near-infrared and optical observations of the field of the Anomalous X-ray Pulsar 1E 2259+58.6 taken with the Keck telescope. We derive a subarcsecond Chandra position and tie it to our optical reference frame using other stars in the field. We find a very faint source, K(s) = 21.7 +/- 0.2 mag, with a position coincident with the Chandra position. We argue that this is the counterpart. In the J, I, and R bands, we derive (two sigma) limits of 23.8, 25.6 and 26.4mag, respectively. As with 4U 0142+61, for which a similarly faint counterpart was found, our results are inconsistent with models in which the source is powered by accretion from a disk. The only model that is not inconsistent, appears to be that in which 1E 2259+58.6 is a magnetar.

Hulleman, F.↗