Results for “reflectivity” — Page 40

DOE OSTI2020

Assessment of the degree of hydration of ocular surface tissues using THz reflectometry

Using the effective medium model, the complex permittivity of the ocular surface system in the THz frequency range is considered. The penetration depth of THz radiation and the sensitivity of the reflected component to the dynamics of evaporation of the tear film are discussed. The results of in vivo experiments aimed to determine the reflection coefficient of the ocular surface using continuous THz reflectometers are well described using the developed model. (paper)

36 MATERIALS SCIENCE↗

DOE OSTI2020

Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane

The small GTPase KRAS is localized at the plasma membrane where it functions as a molecular switch, coupling extracellular growth factor stimulation to intracellular signaling networks. In this process, KRAS recruits effectors, such as RAF kinase, to the plasma membrane where they are activated by a series of complex molecular steps. Defining the membrane-bound state of KRAS is fundamental to understanding the activation of RAF kinase and in evaluating novel therapeutic opportunities for the inhibition of oncogenic KRAS-mediated signaling. We combined multiple biophysical measurements and computational methodologies to generate a consensus model for authentically processed, membrane-anchored KRAS. In contrast to the two membrane-proximal conformations previously reported, we identify a third significantly populated state using a combination of neutron reflectivity, fast photochemical oxidation of proteins (FPOP), and NMR. In this highly populated state, which we refer to as “membrane-distal” and estimate to comprise ~90% of the ensemble, the G-domain does not directly contact the membrane but is tethered via its C-terminal hypervariable region and carboxymethylated farnesyl moiety, as shown by FPOP. Subsequent interaction of the RAF1 RAS binding domain with KRAS does not significantly change G-domain configurations on the membrane but affects their relative populations. Overall, our results are consistent with a directional fly-casting mechanism for KRAS, in which the membrane-distal state of the G-domain can effectively recruit RAF kinase from the cytoplasm for activation at the membrane.

KRAS↗

DOE OSTI2022

Trivalent ion overcharging on electrified graphene

We report the structure of the electrical double layer (EDL) formed near graphene in aqueous environments strongly impacts its performance for a plethora of applications, including capacitive deionization. In particular, adsorption and organization of multivalent counterions near the graphene interface can promote nonclassical behaviors of EDL including overcharging followed by co-ion adsorption. In this paper, we characterize the EDL formed near an electrified graphene interface in dilute aqueous YCl 3 solution using in situ high resolution x-ray reflectivity (also known as crystal truncation rod) and resonant anomalous x-ray reflectivity (RAXR). These interface-specific techniques reveal the electron density profiles with molecular-scale resolution. We find that yttrium ions (Y 3+ ) readily adsorb to the negatively charged graphene surface to form an extended ion profile. This ion distribution resembles a classical diffuse layer but with a significantly high ion coverage, i.e., 1 Y 3+ per 11.4 ± 1.6 Å 2 , compared to the value calculated from the capacitance measured by cyclic voltammetry (1 Y 3+ per ~240 Å 2 ). Such overcharging can be explained by co-adsorption of chloride that effectively screens the excess positive charge. The adsorbed Y 3+ profile also shows a molecular-scale gap (≥ 5 Å) from the top graphene surfaces, which is attributed to the presence of intervening water molecules between the adsorbents and adsorbates as well as the lack of inner-sphere surface complexation on chemically inert graphene. We also demonstrate controlled adsorption by varying the applied potential and reveal consistent Y 3+ ion position with respect to the surface and increasing cation coverage with increasing the magnitude of the negative potential. This is the first experimental description of a model graphene-aqueous system with controlled potential and provides important insights into the application of graphene-based systems for enhanced and selective ion separations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Plot-level rapid screening for photosynthetic parameters using proximal hyperspectral imaging

Abstract Photosynthesis is currently measured using time-laborious and/or destructive methods which slows research and breeding efforts to identify crop germplasm with higher photosynthetic capacities. We present a plot-level screening tool for quantification of photosynthetic parameters and pigment contents that utilizes hyperspectral reflectance from sunlit leaf pixels collected from a plot (~2 m×2 m) in <1 min. Using field-grown Nicotiana tabacum with genetically altered photosynthetic pathways over two growing seasons (2017 and 2018), we built predictive models for eight photosynthetic parameters and pigment traits. Using partial least squares regression (PLSR) analysis of plot-level sunlit vegetative reflectance pixels from a single visible near infra-red (VNIR) (400–900 nm) hyperspectral camera, we predict maximum carboxylation rate of Rubisco (Vc,max, R2=0.79) maximum electron transport rate in given conditions (J1800, R2=0.59), maximal light-saturated photosynthesis (Pmax, R2=0.54), chlorophyll content (R2=0.87), the Chl a/b ratio (R2=0.63), carbon content (R2=0.47), and nitrogen content (R2=0.49). Model predictions did not improve when using two cameras spanning 400–1800 nm, suggesting a robust, widely applicable and more ‘cost-effective’ pipeline requiring only a single VNIR camera. The analysis pipeline and methods can be used in any cropping system with modified species-specific PLSR analysis to offer a high-throughput field phenotyping screening for germplasm with improved photosynthetic performance in field trials.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Unique contributions of chlorophyll and nitrogen to predict crop photosynthetic capacity from leaf spectroscopy

The photosynthetic capacity or the CO 2 -saturated photosynthetic rate (Vmax), chlorophyll, and nitrogen are closely linked leaf traits that determine C 4 crop photosynthesis and yield. Accurate, timely, rapid, and non-destructive approaches to predict leaf photosynthetic traits from hyperspectral reflectance are urgently needed for high-throughput crop monitoring to ensure food and bioenergy security. Therefore, this study thoroughly evaluated the state-of-the-art physically based radiative transfer models (RTMs), data-driven partial least squares regression (PLSR), and generalized PLSR (gPLSR) models to estimate leaf traits from leaf-clip hyperspectral reflectance, which was collected from maize (Zea mays L.) bioenergy plots with diverse genotypes, growth stages, treatments with nitrogen fertilizers, and ozone stresses in three growing seasons. The results show that leaf RTMs considering bidirectional effects can give accurate estimates of chlorophyll content (Pearson correlation r=0.95), while gPLSR enabled retrieval of leaf nitrogen concentration (r=0.85). Using PLSR with field measurements for training, the cross-validation indicates that V max can be well predicted from spectra (r=0.81). Here, the integration of chlorophyll content (strongly related to visible spectra) and nitrogen concentration (linked to shortwave infrared signals) can provide better predictions of V max (r=0.71) than only using either chlorophyll or nitrogen individually. This study highlights that leaf chlorophyll content and nitrogen concentration have key and unique contributions to V max prediction.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Photoinduced band renormalization effects in the topological nodal-line semimetal ZrSiS

Out-of-equilibrium effects provide an elegant pathway for probing and understanding the underlying physics of topological materials. In particular, controlling electronic band structure properties using ultrafast optical pulses has shown promise for creating exotic states of matter. Of recent interest is band renormalization in Dirac and Weyl semimetals as it leads to direct physical observables through the enhancement of the effective mass or in the shift of resonant energies. Here, in this work, we provide experimental and theoretical signatures of photoinduced renormalization of the electronic band structure in the topological nodal-line semimetal ZrSiS. Specifically, we show how the change in the transient reflectivity spectra under femtosecond optical excitations is induced by out-of-equilibrium effects that renormalize the kinetic energy of electrons. We associate the observed spectral features with an enhancement of the effective mass and to a redshift of the resonant frequency as a function of pump field strength. Finally, we show that the transient relaxation dynamics of the reflectivity is primarily an electronic effect with a negligible phononic contribution. Our study presents conclusive modifications of electronic properties in ZrSiS using ultrashort pulses and demonstrates the potential of this approach in creating photoinduced phases in topological quantum matter through an all-optical route.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Interlayer coherence in superconductor bilayers

We investigate the possibility and implications of interlayer coherence in electrically isolated superconducting bilayers. We find that in a mean-field approximation bilayers can have superconducting and excitonic order simultaneously if repulsive interactions between layers are sufficiently strong. The excitonic order implies interlayer phase coherence and can be studied in a representation of symmetric and antisymmetric bilayer states. When both orders are present we find several solutions of the mean-field equations with different values of the the symmetric and antisymmetric state pair amplitudes. The mixed state necessarily has nonzero pair amplitudes for electrons in different layers in spite of the repulsive interlayer interactions, and these are responsible for spatially indirect Andreev reflection processes in which an incoming electron in one layer can be reflected as a hole in the opposite layer. Furthermore, we evaluate layer diagonal and off-diagonal current-voltage relationships that can be used to identify this state experimentally.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Nondestructive Characterization of Antireflective Coatings on PV Modules

Antireflective coatings (ARCs) are used on the vast majority of solar photovoltaic (PV) modules to increase power production. However, ARC longevity can vary from less than 1 to over 15 years depending on coating quality and deployment conditions. A technique that can quantify ARC degradation nondestructively on commercial modules would be useful both for in-field diagnostics and accelerated aging tests. In this article, we demonstrate that accurate measurements of ARC spectral reflectance can be performed using a modified commercially available integrating-sphere probe. The measurement is fast, accurate, nondestructive, and can be performed outdoors in full-sun conditions. We develop an interferometric model that estimates coating porosity, thickness, and fractional area coverage from the measured reflectance spectrum for a uniform single-layer coating. We demonstrate the measurement outdoors on an active PV installation, identify the presence of an ARC, and estimate the properties of the coating.

14 SOLAR ENERGY↗

DOE OSTI2023

Evaluation of Impedance Measurement Using Spread Spectrum Time Domain Reflectometry

We evaluate the feasibility of spectral time domain reflectometry (STDR) and spread spectrum time domain reflectometry (SSTDR) as a new modality for impedance measurement to test energized/noisy systems over a very broad frequency spectrum (near dc to gigahertz) as well as multiple channels in parallel. We simulate how the S/SSTDR signal parameters (signal-to-noise ratio (SNR) frequency and length of the pseudo-noise (PN) signals) affect the accuracy and usable frequency band for reflection coefficient and impedance measurement. An initial measurement validation is included. Here, we conclude with a recommendation of what will be required for a viable multichannel impedance (and reflection, transmission coefficient) measurement system for either energized or nonenergized systems, in noisy environments, that can test multiple channels simultaneously.

14 SOLAR ENERGY↗

DOE OSTI2026

Effective medium approximation for the refractive index of stratified metal oxide composites synthesized by atomic layer deposition

Atomic layer deposition (ALD) is a unique method for synthesizing conformal layers with precise composition. It is especially useful for the synthesis of mixed metal oxides for functional materials. One application of interest is the use of ALD for tailoring the refractive index of coatings. In homogeneously distributed composites of metal oxides, the refractive properties can be approximated as the average of the indices of the components. This is known as an effective medium approximation (EMA) and can be used to design the macroscopic properties of composites. ALD produces layered, anisotropic films, so the validity of an EMA in describing these films is not clear. Here, we use optical simulations and experimental characterization of stratified composites of TiO 2 and Al 2 O 3 to study the application of an EMA to the transmission and reflection behavior of ALD-prepared mixed metal oxide thin films. We found that when the characteristic layer thickness is smaller than roughly 10 nm, the optical spectra of theoretical and experimental ALD films match the equivalent theoretical spectra for a material with a refractive index calculated from a simple, compositionally weighted EMA. Hence, this EMA could describe the transmission and reflectance spectra in ALD-derived TiO2–Al 2 O 3 nanolaminates when the films were sufficiently stratified even without thorough characterization of the real layers in the films. As a result, we demonstrated that ALD can be used to prepare effectively homogenous mixed metal oxide films with a predictable, tailorable refractive index of any value between those of the TiO 2 and Al 2 O 3 component materials.

42 ENGINEERING↗

DOE OSTI2026

pH-Driven Restructuring of Hydration Layers and Cation Ad-sorption at the Alumina-Water Interface

Oxide-water interfaces underpin ion separation, catalysis, and electrochemical energy technologies, where the electrical double layer (EDL) controls adsorption, transport, and reactivity. Yet, the molecular-scale link between pH-dependent surface protonation, hydration-layer structure, and counter-ion adsorption remains poorly defined. Here, we combine in situ crystal truncation rod (CTR) and resonant anomalous X-ray reflectivity (RAXR) with streaming potential measurements and ab initio molecular dynamics (AIMD) simulations to resolve the chemical and structural evolution of the EDL at the single-crystal alumina (012)-water interface in 10 mM Rb+ over pH 3-12. CTR measurements reveal two distinct adsorbed water layers at ~2.2 and ~3.5 Å above the surface that each shift toward the substrate at transition pHs near 6.5 and 10.6, respectively, directly reflecting changes in primary hydration layer structure in response to the deprotonation of bridging and terminal aluminol groups. RAXR shows a 10-fold increase in Rb+ coverage and a decrease in mean adsorption height from ~3.5 to ~2.7 Å with increasing pH, indicating enhanced counter-ion binding accompanied by Stern layer contraction. Streaming potential measurements demonstrate that the zeta potential, i.e., potential at the hydrodynamic shear plane, is positive at pH 3 and becomes negative at pH ≥3.5. This negative charge magnitude increases with increasing pH, consistent with progressive surface deprotonation at higher pH. AIMD identifies inner- and outer-sphere Rb+ complexes whose adsorption heights and coordination geometries depend sensitively on the protonation state of surface oxygens, providing atomistic support for the experimentally inferred trends. These measurements establish two discrete, site-specific pH transitions in hydration-layer structure that track aluminol (de)protonation and quantitatively link them to a pH-driven contraction of the Stern layer (increasing Rb+ coverage and decreasing adsorption height). This provides a direct structural basis for connecting surface acid-base chemistry to ion binding distances at an oxide-water interface.

Electrical double layer (EDL), Surface protonation↗

DOE OSTI2026

APPL Hyperspectral_Imaging_Dataset_for_Heritability_Analysis_in_Populus_trichocarpa

This dataset contains hyperspectral imaging data collected at the Advanced Plant Phenotyping Laboratory (APPL) at Oak Ridge National Laboratory. Natural variants of Populus trichocarpa were imaged using a high-throughput hyperspectral phenotyping pipeline to quantify spectral reflectance traits for downstream quantitative genetics analyses. The dataset includes hyperspectral image files and derived reflectance data products suitable for extracting spectral features across the measured wavelength range (e.g., VNIR and/or SWIR, depending on instrument configuration), along with associated sample metadata (e.g., genotype identifiers, experimental design factors, and imaging run identifiers). These data were generated to support analyses of broad-sense heritability of hyperspectral traits and their relationships with biochemical phenotypes (including lignin traits from Py-MBMS).

APPL↗

DOE OSTI2024

Spectroscopic analysis of Pu-bearing compounds in double-walled cells

Spectroscopic analysis of radiological materials has been historically limited to radiological labs with older or less advanced scientific instrumentation. The development of double-walled cells (DWCs) at the Savannah River National Laboratory (SRNL) has enabled Pu-bearing compounds to be removed from radiological laboratories and studied in our radiologically clean spectroscopy laboratory with state-of-the-art instrumentation. In this manuscript, we discuss the contributions of DWCs that have allowed the application of Raman spectroscopy, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), diffuse reflectance spectroscopy (DRS) in the shortwave infrared, and gamma spectroscopy at SRNL. Significant advances have been made in the understanding of the thermal decomposition of Pu(III) and Pu(IV) oxalates, alpha-induced damage to the PuO 2 crystal lattice, and the effect of calcination temperatures on the quality of PuO 2 . These techniques have enabled methods to conduct PuO 2 age dating since last calcination and estimate the calcination temperature with Raman spectroscopy and DRS. Additional spectroscopic information measured with DRIFTS has enabled the observation of the evolution of carbon species with calcination temperature, while gamma spectroscopy provides information on age dating since last purification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

xsacrcfrspccopol (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). At ARM's tropical sites, X-band radars are paired with the Ka-band because they are better suited for the atmospheric attenuation in this region. Beamwidth for the X-band is approximately 1 degree, and the Ka-band beamwidth is roughly 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the XSACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. For the second ARM Mobile Facility (AMF2), the XSACR can be dismounted from the pedestal it shares with the KASACR and mounted on a separate pedestal. This allows the XSACR to operate more like a weather (precipitation) radar in deployments where such local coverage is lacking. Measurements collected with the XSACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, differential Reflectivity (Zdr), correlation coefficient (rho-hv), and specific differential phase (phi-dp). XSACR data from the 2018–2019 Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign in Argentina are now available as b1-level products. Building on the original CACTI operational data, the b1-level products feature improved data quality resulting from extensive analyses and corrections. The data are cross-calibrated to a common point, datastreams are corrected for operational issues that occurred during the campaign, and several data quality masks and basic derived products are incorporated. For more information, read the CACTI radar b1-level processing report.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

xsacrcfrspcxpol (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). At ARM's tropical sites, X-band radars are paired with the Ka-band because they are better suited for the atmospheric attenuation in this region. Beamwidth for the X-band is approximately 1 degree, and the Ka-band beamwidth is roughly 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the XSACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. For the second ARM Mobile Facility (AMF2), the XSACR can be dismounted from the pedestal it shares with the KASACR and mounted on a separate pedestal. This allows the XSACR to operate more like a weather (precipitation) radar in deployments where such local coverage is lacking. Measurements collected with the XSACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, differential Reflectivity (Zdr), correlation coefficient (rho-hv), and specific differential phase (phi-dp). XSACR data from the 2018–2019 Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign in Argentina are now available as b1-level products. Building on the original CACTI operational data, the b1-level products feature improved data quality resulting from extensive analyses and corrections. The data are cross-calibrated to a common point, datastreams are corrected for operational issues that occurred during the campaign, and several data quality masks and basic derived products are incorporated. For more information, read the CACTI radar b1-level processing report.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

xsacrcfrspccross (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). At ARM's tropical sites, X-band radars are paired with the Ka-band because they are better suited for the atmospheric attenuation in this region. Beamwidth for the X-band is approximately 1 degree, and the Ka-band beamwidth is roughly 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the XSACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. For the second ARM Mobile Facility (AMF2), the XSACR can be dismounted from the pedestal it shares with the KASACR and mounted on a separate pedestal. This allows the XSACR to operate more like a weather (precipitation) radar in deployments where such local coverage is lacking. Measurements collected with the XSACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, differential Reflectivity (Zdr), correlation coefficient (rho-hv), and specific differential phase (phi-dp). XSACR data from the 2018–2019 Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign in Argentina are now available as b1-level products. Building on the original CACTI operational data, the b1-level products feature improved data quality resulting from extensive analyses and corrections. The data are cross-calibrated to a common point, datastreams are corrected for operational issues that occurred during the campaign, and several data quality masks and basic derived products are incorporated. For more information, read the CACTI radar b1-level processing report.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Multispectral and thermal surface imagery and surface elevation mosaics (camspec-air)

This dataset contains high resolution image products (orthomosaics) acquired from midsized uncrewed aerial systems, which have been processed for value added quality. The instrument itself, a multispectral imager, the Altum by Micasense, captures 6 spectral bands (red, green blue, NIR, red edge, and LWIR/thermal1) as radiance, which is converted to reflectance. The code used to develop these images first uses tools from the Micasense python library2 to apply dark level corrections, row gradient corrections, and radiometric corrections. Next it uses the processing API from Agisoft Metashape software to align and mosaic the processed imagery, following the processes developed by the USGS' structure from motion workflow documentation3. Captures at different altitudes (recorded in MSL) produce an orthomosaic, a tif image containing information related to the 6 spectral bands, and a digital elevation model (DEM), a tif image containing information related to the elevation of the surveyed terraine. Metadata included in every image can be used to extract lat, lon, and reflectance values. 1https://www.arm.gov/publications/tech_reports/handbooks/doe-sc-arm-tr-281.pdf 2https://micasense.github.io/imageprocessing/MicaSense%20Image%20Processing%20Setup.html 3https://pubs.usgs.gov/of/2021/1039/ofr20211039.pdf

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Multispectral and thermal surface imagery and surface elevation mosaics - SGP July 2022

This data set contains high-resolution image products (orthomosaics) acquired from midsized uncrewed aerial systems that have been processed for value-added quality. The instrument itself, a multispectral imager, the Altum by Micasense, captures six spectral bands (red, green blue, NIR, red edge, and LWIR/thermal1) as radiance, which is converted to reflectance via custom code. The code used to develop these images first uses tools from the Micasense Python library2 to apply dark level corrections, row gradient corrections, and radiometric corrections. Next, it uses the processing API from Agisoft Metashape software to align and mosaic the processed imagery, following the processes developed by the USGS' structure from motion workflow documentation.3 Captures at different altitudes (recorded in MSL) produce an orthomosaic, a tif image containing information related to the six spectral bands, and a digital elevation model (DEM), a tif image containing information related to the elevation of the surveyed terraine. Metadata included in every image can be used to extract lat, lon, and reflectance values. 1 https://www.arm.gov/publications/tech_reports/handbooks/doe-sc-arm-tr-281.pdf 2 https://micasense.github.io/imageprocessing/MicaSense%20Image%20Processing%20Setup.html 3 https://pubs.usgs.gov/of/2021/1039/ofr20211039.pdf

54 ENVIRONMENTAL SCIENCES↗