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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Diagnosis of PV Cell Antireflective Coating Degradation Resulting From Hot-Humid High-Voltage Potential Aging

Corrosion of the antireflective coating on a photovoltaic cell ("ARc corrosion") has previously been observed in studies using hot-humid test conditions with external high-voltage (HV) bias. This study primarily focuses on known vulnerable legacy aluminum back surface field cells in mini-modules (MiMos) put through comparative stepped stress tests. Each cell type had MiMos at +1500 V, -1500 V, or unbiased ("Voc") potential, which were sequentially subjected to test conditions of 60 degrees C/60% relative humidity (RH) for 96 h, as in International Electrotechnical Commission Technical Specification 62804-1; 70 degrees C/70% RH for 200 h; and 85 degrees C/85% RH for 200 h. Characterizations at each step included visual camera and electroluminescence (EL) imaging, colorimetry, and current-voltage curve tracing. Final characterizations included: Suns-Voc, spatial mapping of external quantum efficiency, high-resolution photoluminescence, EL, and dark lock-in thermography imaging. Forensics were performed on extracted cores, including scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy, and scanning Auger microscopy (SAM). Forensics were also conducted on MiMos from previous studies that underwent stepped HV aging and separate outdoor aged full-sized modules. ARc corrosion was specifically seen for the glass/encapsulant/cell side of the +1500 V (HV+) stressed MiMos and modules. Appearance, color, and reflectance were the most distinguishing characteristics relative to glass corrosion, gridline corrosion and delamination, and other concurrent degradation modes. SEM/EDS and SAM identified the conversion of silicon nitride to hydrated silica, hydrous silica, or hydrated amorphous silica, which preferentially occurred at the edges and tips of the pyramidal textured cell surface.

14 SOLAR ENERGY↗
DOE OSTI2025

Automatic Image Point Matching

Sparse Image Point Matching (SIPM) is a foundational technology for photo triangulation, structure from motion (SfM), Simultaneous Location and Mapping (SLAM), and data fusion. The goal of the matching is to automatically generate sets of image coordinates that identify the same feature across images. Ideally, the process should be robust to lighting, scale, perspective, and modality changes. The scope of the image matching topic in the field of remote sensing (RS) is enormous because of the variety of collection platforms, modalities, sensor types, applications, and subjects. In this work, we report the history of and assess the state of the art of visible-spectrum (panchromatic and color) image matching of the Earth’s surface. Work specific to large-format images (LFI) (e.g., metric aerial cameras and Earth-observing satellites) will be highlighted. However, the state of the art in this century will mostly be traced through machine vision research and benchmarks because research specific to LFI is rare.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Preliminary evidence for dust in galactic halos

I use B and I photometry of distant galaxies observed through the halos of two nearby spiral galaxies, NGC 2835 and NGC 3521, to test for the existence of dust in galactic halos out to at least a radius of 60 kpc. B - I colors of background galaxies in fields centered along the nearby galaxy's major axis at a projected separation of 60 kpc are compared to the colors of background galaxies in fields centered at a projected separation of about 220 kpc. Background galaxies in the fields at smaller projected separations have average B - I colors that are 0.067 +/- 0.033 mag redder than those in the outer fields. Such a result will occur by chance less than 2.2% of the time and so is taken as preliminary evidence that galaxy halos contain more dust at galactic radii of 60 than 220 kpc. A model which assumes that the radial dust profile in galactic disks and halos is a single exponential has a corresponding scale length of 31 +/- 8 kpc. I argue on the basis of the Infrared Astronomy Satellite (IRAS) 100 micron flux maps that absorption by Galactic dust is not responsible for this result and briefly discuss connections between this result and other observations of the baryonic component of galaxy halos.

Zaritsky, Dennis↗
NASA NTRS2012

Coincident Observation of Lightning using Spaceborne Spectrophotometer and Ground-Level Electromagnetic Sensors

The present study aims at assessing a possible new way to reveal the properties of lightning flash, using spectrophotometric data obtained by FORMOSAT-2/ISUAL which is the first spaceborne multicolor lightning detector. The ISUAL data was analyzed in conjunction with ground ]based electromagnetic data obtained by Duke magnetic field sensors, NLDN, North Alabama Lightning Mapping Array (LMA), and Kennedy Space Center (KSC) electric field antennas. We first classified the observed events into cloud ]to ]ground (CG) and intra ]cloud (IC) lightning based on the Duke and NLDN measurements and analyzed ISUAL data to clarify their optical characteristics. It was found that the ISUAL optical waveform of CG lightning was strongly correlated with the current moment waveform, suggesting that it is possible to evaluate the electrical properties of lightning from satellite optical measurement to some extent. The ISUAL data also indicated that the color of CG lightning turned to red at the time of return stroke while the color of IC pulses remained unchanged. Furthermore, in one CG event which was simultaneously detected by ISUAL and LMA, the observed optical emissions slowly turned red as the altitude of optical source gradually decreased. All of these results indicate that the color of lightning flash depends on the source altitude and suggest that spaceborne optical measurement could be a new tool to discriminate CG and IC lightning. In the presentation, we will also show results on the comparison between the ISUAL and KSC electric field data to clarify characteristics of each lightning process such as preliminary breakdown, return stroke, and subsequent upward illumination.

Adachi, Toru↗
NASA NTRS2010

Hydrocarbons on the Icy Satellites of Saturn

The Visible-Infrared Mapping Spectrometer on the Cassini Spacecraft has obtained spectral reflectance maps of the satellites of Saturn in the wavelength region 0.4-5.1 micrometers since its insertion into Saturn orbit in late 2004. We have detected the spectral signature of the C-H stretching molecular mode of aromatic and aliphatic hydrocarbons in the low albedo material covering parts of several of Saturn's satellites, notably Iapetus and Phoebe (Cruikshank et al. 2008). The distribution of this material is complex, and in the case of Iapetus we are seeking to determine if it is related to the native grey-colored materials left as lag deposits upon evaporation of the ices, or represents in-fall from an external source, notably the newly discovered large dust ring originating at Phoebe. This report covers our latest exploration of the nature and source of this organic material.

Cruikshank, Dale P.↗
NASA NTRS2011

Aurora on Ganymede

Jupiter's largest satellite Ganymede is unique because it possesses an internal magnetic field strong enough to create a small magnetosphere around the satellite.The interaction between Ganymede's magnetosphere and the Jovian magnetic field and magnetospheric plasma generates classic polar auroral emissions from Ganymede which have been captured in a series of stunning ultraviolet images using the Hubble Space Telescope on four different dates from 1998 to 2007. Only data from the first set of obsevations in 1998 has been published (Feldman et al. 2000; Eviatar et al. 2001). We have used a common data reduction process on all four sets of images, and combined them to produce a near global map of the location of Ganymede's auroral oval, which appears to be relatively stable in the seven years spanning the observations. We compare the location of this auroral oval with several model predictions of the boundary between open and closed magnetic field lines (Koop and Ip 2002; Khurana et al. 2007; Jia et al. 2009), a region where strong field aligned currents are thought to produce the auroral emissions. We also compare the location of the auroral emission with the polar cap boundary on Ganymede as dlineated by color ratio images acquired by the Galileo mission (Khurana et al. 2007).

McGrath, Melissa A.↗
NASA NTRS2017

Ground Collision Avoidance System (Igcas)

The present invention is a system and method for aircraft ground collision avoidance (iGCAS) comprising a modular array of software, including a sense own state module configured to gather data to compute trajectory, a sense terrain module including a digital terrain map (DTM) and map manger routine to store and retrieve terrain elevations, a predict collision threat module configured to generate an elevation profile corresponding to the terrain under the trajectory computed by said sense own state module, a predict avoidance trajectory module configured to simulate avoidance maneuvers ahead of the aircraft, a determine need to avoid module configured to determine which avoidance maneuver should be used, when it should be initiated, and when it should be terminated, a notify Module configured to display each maneuver's viability to the pilot by a colored GUI, a pilot controls module configured to turn the system on and off, and an avoid module configured to define how an aircraft will perform avoidance maneuvers through 3-dimensional space.

Skoog, Mark A↗
NASA NTRS1976

Application LANDSAT imagery to geologic mapping in the ice-free valleys of Antarctica

The author has identified the following significant results. Studies in the Ice-Free Valleys are resulted in the compilation of a sizeable library of maps and publications. Rock reflectance measurements were taken during the Antarctic summer of 1973. Spectral reflectance of rocks (mostly mafic lava flows) in the McMurdo and Ice-Free Valleys areas were measured using a filter wheel photometer equipped to measure reflectances in the four Landsat bands. A series of samples were collected at regular intervals across a large differentiated, mafic sill near Lake Vida. Chemical analyses of the sample suggest that the tonal variations in this sill are controlled by changes in the iron content of the rock. False color images were prepared for a number of areas by the diazo method and with an optical multispectral biviewer. These images were useful in defining boundaries of sea ice, snow cover, and in the study of ablating glaciers, but were not very useful for rock discrimination.

Houston, R. S.↗
NASA NTRS1987

Sulfur-oxygen processes on Io

Laboratory studies of irradiated sulfur dioxide frost have found that sulfur trioxide should be formed as a consequence of the irradiation process. The spectral reflectance of solid sulfur trioxide was measured in the laboratory and it was found that the compound has strong absorption features at 3.37 and 3.70 microns. These features are not present in the spectral geometric albedo of Io. This is interpreted as an indication that sulfur trioxide may exist in such limited abundance that it is undetectable in disk averaged spectrophotometry. It is suggested that the Near-Infrared Mapping Spectrometer on the Galileo spacecraft should be able to identify condensed sulfur trioxide on Io particularly in regions bordering the sulfur dioxide deposits. The presence of elemental sulfur on Io's surface has been questioned on several grounds, most notably the suggested production process (quenched molten sulfur extrusions) and the effect of radiation (particularly X-rays) on some of the allotropes. Mixtures of sulfur allotropes were produced in the laboratory by quenching molten sulfur and it was found that the spectra indicate the presence of certain red-colored allotropes which are preserved upon quenching. The color of the sulfur glass produced is redder when the temperature of the original melt is higher. This is consistent with the suggestion that Io's spectral geometric albedo can be partly explained by the presence of quenched sulfur glasses.

Nelson, Robert M.↗
NASA NTRS1972

Unsupervised classification of remote multispectral sensing data

The new unsupervised classification technique for classifying multispectral remote sensing data which can be either from the multispectral scanner or digitized color-separation aerial photographs consists of two parts: (a) a sequential statistical clustering which is a one-pass sequential variance analysis and (b) a generalized K-means clustering. In this composite clustering technique, the output of (a) is a set of initial clusters which are input to (b) for further improvement by an iterative scheme. Applications of the technique using an IBM-7094 computer on multispectral data sets over Purdue's Flight Line C-1 and the Yellowstone National Park test site have been accomplished. Comparisons between the classification maps by the unsupervised technique and the supervised maximum liklihood technique indicate that the classification accuracies are in agreement.

Su, M. Y.↗
DOE OSTI2022

Field validation of data-driven BSDF and peak extraction models for light-scattering fabric shades

Shading and daylighting systems affect cooling, heating, and lighting energy use by modulating solar radiation through the building façade. Characterizing shading systems holistically and accurately helps designers and engineers evaluate shading systems to achieve energy and non-energy performance goals. These complex fenestration systems can be modeled using Bidirectional Scattering Distribution Functions (BSDF), which map incident radiation to hemispherical distributions of outgoing radiation. Data-driven, tabulated BSDFs are derived from interpolated goniophotometer measured data, then sampled during the raytracing calculation. A peak extraction (PE) algorithm was developed to circumvent limits in BSDF angular resolution, where the specular peak is extracted during simulation by evaluating the BSDF in the through direction and surrounding region. The objective of this study was to validate this measurement and modeling workflow using field monitored data from a full scale testbed with eleven installed fabrics of different weaves, openness factors, and colors and assess the accuracy of the workflow under different adaptation and contrast conditions. Test conditions were limited to clear sky conditions with the sun in the field of view. Results showed that, for tensor tree datasets, vertical illuminance, solar luminance (2.5° apex), and daylight glare probability (DGP) were predicted to within a mean bias error (MBE) error of -456 lx (-12.3%), -3.46e5 (-38.4%), and -0.042 (-7.8%) when full PE occurred. With a binary classification of glare/ no glare, DGP was predicted accurately with a true positive rate of 0.98 and true negative rate of 1.0 using tensor tree data and less accurately with Klems BSDF data, particularly for cases of no glare. The workflow may be of insufficient accuracy to distinguish borderline performance between fabrics using the four-point glare scale, particularly under low adaptation, high contrast daylit conditions. Errors were due to reductions in peak shape and intensity across the BSDF interpolation and data reduction workflow. Future work is needed to better preserve measurement fidelity during interpolation and sampling, which in turn will improve PE performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Diagnosis of PV Cell Antireflective Coating Degradation Resulting from Hot-Humid, High Voltage Potential Aging

Corrosion of the antireflective coating on a photovoltaic cell ("ARc corrosion") has previously been observed in studies using hot-humid test conditions with external high-voltage (HV) bias. This study primarily focuses on known vulnerable, legacy aluminum back surface field (Al-BSF) cells in mini-modules (MiMos) put through comparative stepped stress tests. Each cell type had MiMos at +1500 V, -1500 V, or unbiased ("Voc") potential, which were sequentially subjected to test conditions of 60deg C/60% relative humidity (RH) for 96 h, as in International Electrotechnical Commission (IEC) Technical Specification 62804-1; 70 deg C/70% RH for 200 h; and 85 deg C/85% RH for 200 h. Characterizations at each step included visual camera and electroluminescence (EL) imaging, colorimetry, and current-voltage (I-V) curve tracing. Final characterizations included: Suns-Voc; spatial mapping of external quantum efficiency (EQE); high-resolution photoluminescence (PL), EL, and dark lock-in thermography (DLIT) imaging. Forensics were performed on extracted cores, including scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), and scanning Auger microscopy (SAM). Forensics were also conducted on MiMos from previous studies that underwent stepped HV aging and separate outdoor aged full-sized modules. ARc corrosion was specifically seen for the glass/encapsulant/cell side of the +1500V (HV+) stressed MiMos and modules. Appearance, color, and reflectance were the most distinguishing characteristics relative to glass corrosion, gridline-corrosion and -delamination as well as other concurrent degradation modes. SEM/EDS and SAM identified conversion of silicon nitride to hydrated silica, hydrous silica, or hydrated amorphous silica, which preferentially occurred at the edges and tips of the pyramidal textured cell surface.

14 SOLAR ENERGY↗
NASA NTRS2013

Discriminating Phytoplankton Functional Types (PFTs) in the Coastal Ocean Using the Inversion Algorithm Phydotax and Airborne Imaging Spectrometer Data

There is a need in the Biological Oceanography community to discriminate among phytoplankton groups within the bulk chlorophyll pool to understand energy flow through ecosystems, to track the fate of carbon in the ocean, and to detect and monitor-for harmful algal blooms (HABs). The ocean color community has responded to this demand with the development of phytoplankton functional type (PFT) discrimination algorithms. These PFT algorithms fall into one of three categories depending on the science application: size-based, biogeochemical function, and taxonomy. The new PFT algorithm Phytoplankton Detection with Optics (PHYDOTax) is an inversion algorithm that discriminates taxon-specific biomass to differentiate among six taxa found in the California Current System: diatoms, dinoflagellates, haptophytes, chlorophytes, cryptophytes, and cyanophytes. PHYDOTax was developed and validated in Monterey Bay, CA for the high resolution imaging spectrometer, Spectroscopic Aerial Mapping System with On-board Navigation (SAMSON - 3.5 nm resolution). PHYDOTax exploits the high spectral resolution of an imaging spectrometer and the improved spatial resolution that airborne data provides for coastal areas. The objective of this study was to apply PHYDOTax to a relatively lower resolution imaging spectrometer to test the algorithm's sensitivity to atmospheric correction, to evaluate capability with other sensors, and to determine if down-sampling spectral resolution would degrade its ability to discriminate among phytoplankton taxa. This study is a part of the larger Hyperspectral Infrared Imager (HyspIRI) airborne simulation campaign which is collecting Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) imagery aboard NASA's ER-2 aircraft during three seasons in each of two years over terrestrial and marine targets in California. Our aquatic component seeks to develop and test algorithms to retrieve water quality properties (e.g. HABs and river plumes) in both marine and in-land water bodies. Results presented are from the 10 April 2013 overflight of the Monterey Bay region and focus primarily on the first objective - sensitivity to atmospheric correction. On-going and future work will continue to evaluate if PHYDOTax can be applied to historical (SeaWiFS and MERIS), existing (MODIS, VIIRS, and HICO), and future (PACE, GEO-CAPE, and HyspIRI) satellite sensors. Demonstration of cross-platform continuity may aid in calibration and validation efforts of these sensors.

Biological Oceanography↗
NASA NTRS2019

Integrating Remote Sensing Observations with NASA's GEOS-5 Modeling Framework in Support of Retrospective Analyses and Seasonal Prediction of Biosphere-Atmosphere CO2 Flux

The absorption of nearly half of all anthropogenic carbon dioxide (CO2) emissions by terrestrial and marine ecosystems has played a critical role in mitigating climate change. However, a persistent lack of understanding of these uptake processes impedes attribution, and thereby introduces large uncertainties into projections of the trajectory of carbon and climate in coming decades. A better understanding and quantification of the seasonal and interannual variability of carbon flux between the atmosphere and ocean and terrestrial biospheres is critically needed to improve predictions from Earth system models. We propose to bring together a diverse suite of remote sensing observations, mechanistic models, and NASA's Goddard Earth Observing System, version 5 (GEOS-5) model to address two objective 1) quantify the processes controlling the temporal variability of biosphere-atmosphere CO2 flux on seasonal and interannual timescales from 1989 to 2018 and 2) evaluating the predictability of the components of carbon flux on seasonal timescales. Because GEOS-5 has been developed to incorporate a variety of Earth system observations and includes a complete and physically consistent depiction of the atmosphere, land, and ocean carbon cycles, it represents a unique and ideal synthesis framework for this effort. By expanding the realism of processes that could be included in GEOS-5 seasonal forecasts, this effort supports NASA's goals toward an integrated Earth system modeling and prediction framework.We propose to integrate a number of observations into the GEOS-5 modeling system to refine retrospective estimates of both terrestrial and marine carbon flux and to test hypotheses regarding the effects of climate drivers on terrestrial carbon flux. This will include assimilating several satellite ocean color products in the NASA Ocean Biogeochemistry Model (NOBM) to improve the representation of ocean biology. We will also utilize remote sensing datasets to increase the temporal resolution of global land-use change estimates and fire emissions to better constrain the temporal variability of the terrestrial carbon cycle. This information will be incorporated into two NASA terrestrial biosphere models Catchment-CN, a dynamic vegetation model that is integrated within GEOS-5 and the Ecosystem Demography (ED) model, a core modeling resource supporting the Global Ecosystem Dynamics Investigation (GEDI) mission to map biomass. Fluxes will be evaluated through 1) comparison to top-down flux estimates inferred from surface CO2 observations and 2) comparison against available aircraft and satellite observations.By combining predictions of net ecosystem exchange and air-sea CO2 flux from land and ocean models with statistical predictions of land use change, fire, and fossil fuel emissions, we propose to create the first dynamical CO2 forecast on seasonal timescales. Because of the experimental nature of this endeavor, an important project objective will be to evaluate the limits to the predictability of different carbon cycle processes over lead times of 1-12 months using different satellite and surface data streams.

Ott, Lesley↗
NASA NTRS1990

Climate and atmospheric modeling studies. Climate applications of Earth and planetary observations. Chemistry of Earth and environment

The research conducted during the past year in the climate and atmospheric modeling programs concentrated on the development of appropriate atmospheric and upper ocean models, and preliminary applications of these models. Principal models are a one-dimensional radiative-convective model, a three-dimensional global climate model, and an upper ocean model. Principal applications have been the study of the impact of CO2, aerosols and the solar 'constant' on climate. Progress was made in the 3-D model development towards physically realistic treatment of these processes. In particular, a map of soil classifications on 1 degree x 1 degree resolution has been digitized, and soil properties have been assigned to each soil type. Using this information about soil properties, a method was developed to simulate the hydraulic behavior of soils of the world. This improved treatment of soil hydrology, together with the seasonally varying vegetation cover, will provide a more realistic study of the role of the terrestrial biota in climate change. A new version of the climate model was created which follows the isotopes of water and sources of water (or colored water) throughout the planet. Each isotope or colored water source is a fraction of the climate model's water. It participates in condensation and surface evaporation at different fractionation rates and is transported by the dynamics. A major benefit of this project has been to improve the programming techniques and physical simulation of the water vapor budget of the climate model.

Source record↗
DOE OSTI2021

Zwicky Transient Facility and Globular Clusters: the Period–Luminosity and Period–Luminosity–Color Relations for Late-type Contact Binaries

In this work, we aimed to derive the gri-band period–luminosity (PL) and period–luminosity–color (PLC) relations for late-type contact binaries, for the first time, located in globular clusters, using the homogeneous light curves collected by the Zwicky Transient Factory (ZTF). We started with 79 contact binaries in 15 globular clusters, and retained 30 contact binaries in 10 globular clusters that have adequate numbers of data points in the ZTF light curves and are unaffected by blending. Magnitudes at mean and maximum light of these contact binaries were determined using a fourth-order Fourier expansion, while extinction corrections were done using the Bayerstar2019 3D reddening map together with adopting the homogeneous distances to their host globular clusters. After removing early-type and “anomaly” contact binaries, our derived gri-band PL and period–Wesenheit (PW) relations exhibited a much larger dispersion with large errors on the fitted coefficients. Nevertheless, the gr-band PL and PW relations based on this small sample of contact binaries in globular clusters were consistent with those based on a larger sample of nearby contact binaries. Good agreements of the PL and PW relations suggested both samples of contact binaries in the local Solar neighborhood and in the distant globular clusters can be combined and used to derive and calibrate the PL, PW, and PLC relations. The final derived gr-band PL, PW, and PLC relations were much improved over those based on the limited sample of contact binaries in the globular clusters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2008

Synthetic Vision Displays for Planetary and Lunar Lander Vehicles

Aviation research has demonstrated that Synthetic Vision (SV) technology can substantially enhance situation awareness, reduce pilot workload, improve aviation safety, and promote flight path control precision. SV, and related flight deck technologies are currently being extended for application in planetary exploration vehicles. SV, in particular, holds significant potential for many planetary missions since the SV presentation provides a computer-generated view for the flight crew of the terrain and other significant environmental characteristics independent of the outside visibility conditions, window locations, or vehicle attributes. SV allows unconstrained control of the computer-generated scene lighting, terrain coloring, and virtual camera angles which may provide invaluable visual cues to pilots/astronauts, not available from other vision technologies. In addition, important vehicle state information may be conformally displayed on the view such as forward and down velocities, altitude, and fuel remaining to enhance trajectory control and vehicle system status. The paper accompanies a conference demonstration that introduced a prototype NASA Synthetic Vision system for lunar lander spacecraft. The paper will describe technical challenges and potential solutions to SV applications for the lunar landing mission, including the requirements for high-resolution lunar terrain maps, accurate positioning and orientation, and lunar cockpit display concepts to support projected mission challenges.

Arthur, Jarvis J., III↗
DOE OSTI2020

Isolating the Contributions of Specific Network Sites to the Diffuse Vibrational Spectrum of Interfacial Water with Isotopomer-Selective Spectroscopy of Cold Clusters

Decoding the structural information contained in the interfacial vibrational spectrum of water requires understanding how the spectral signatures of individual water molecules respond to their local hydrogen bonding environments. In this study, we isolated the contributions for the five classes of sites that differ according to the number of donor (D) and acceptor (A) hydrogen bonds that characterize each site. These patterns were measured by exploiting the unique properties of the water cluster cage structures formed in the gas phase upon hydration of a series of cations M+·(H2O)n (M = Li, Na, Cs, NH4, CH3NH3, H3O, and n = 5, 20-22). This selection of ions was chosen to systematically express the A, AD, AAD, ADD, and AADD hydrogen bonding motifs. The spectral signatures of each site were measured using two-color, IR-IR isotopomer-selective photofragmentation vibrational spectroscopy of the cryogenically cooled, mass selected cluster ions in which a single intact H2O is introduced without isotopic scrambling, an important advantage afforded by the cluster regime. The resulting patterns provide an unprecedented picture of the intrinsic line shapes and spectral complexities associated with excitation of the individual OH groups, as well as the correlation between the frequencies of the two OH groups on the same water molecule, as a function of network site. The properties of the surrounding water network that govern this frequency map are evaluated by dissecting electronic structure calculations that explore how changes in the nearby network structures, both within and beyond the first hydration shell, affect the local frequency of an OH oscillator. The qualitative trends are recovered with a simple model that correlates the OH frequency with the network-modulated local electron density in the center of the OH bond.

Yang, Nan↗