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All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Comparison of Heat Flux Gages for High Enthalpy Flows - NASA Ames and IRS

This article is a companion to a paper on heat flux measurements as initiated under a Space Act Agreement in 2011. The current focus of this collaboration between the Institute of Space Systems (IRS) of the University of Stuttgart and NASA Ames Research Center is the comparison and refinement of diagnostic measurements. A first experimental campaign to test different heat flux gages in the NASA Interaction Heating Facility (IHF) and the Plasmawindkanaele (PWK) at IRS was established. This paper focuses on the results of the measurements conducted at IRS. The tested gages included a at face and hemispherical probe head, a 4" hemispherical slug calorimeter, a null-point calorimeter from Ames and a null-point calorimeter developed for this purpose at IRS. The Ames null-point calorimeter was unfortunately defective upon arrival. The measured heat fluxes agree fairly well with each other. The reason for discrepancies can be attributed to signal-to-noise levels and the probe geometry.

spacecraft reentry↗
NASA NTRS2016

The Spectacular Radio-Near-IR-X-Ray Jet of 3C 111: the X-Ray Emission Mechanism and Jet Kinematics

Relativistic jets are the most energetic manifestation of the active galactic nucleus (AGN) phenomenon. AGN jets are observed from the radio through gamma-rays and carry copious amounts of matter and energy from the subparsec central regions out to the kiloparsec and often megaparsec scale galaxy and cluster environs. While most spatially resolved jets are seen in the radio, an increasing number have been discovered to emit in the optical/near- IR and/or X-ray bands. Here we discuss a spectacular example of this class, the 3C 111 jet, housed in one of the nearest, double-lobed FR II radio galaxies known. We discuss new, deep Chandra and Hubble Space Telescope (HST) observations that reveal both near-IR and X-ray emission from several components of the 3C 111 jet, as well as both the northern and southern hotspots. Important differences are seen between the morphologies in the radio, X-ray, and near-IR bands. The long (over 100 kpc on each side), straight nature of this jet makes it an excellent prototype for future, deep observations, as it is one of the longest such features seen in the radio, near-IR/optical, and X-ray bands. Several independent lines of evidence, including the X-ray and broadband spectral shape as well as the implied velocity of the approaching hotspot, lead us to strongly disfavor the EC/CMB model and instead favor a two-component synchrotron model to explain the observed X-ray emission for several jet components. Future observations with NuSTAR, HST, and Chandra will allow us to further constrain the emission mechanisms.

galaxies: active – galaxies: jets – radio cont↗
NASA NTRS2017

Composite Reflective Absorptive IR-Blocking Filters Embedded in Metamaterial Antireflection Coated Silicon

Infrared (IR)-blocking filters are crucial for controlling the radiative loading on cryogenic systems and for optimizing the sensitivity of bolometric detectors in the far-IR. We present a new IR filter approach based on a combination of patterned frequency-selective structures on silicon and a thin (2575 micron thick) absorptive composite based on powdered reststrahlen absorbing materials. For a 300 K blackbody, this combination reflects approximately 50% of the incoming light and blocks greater than.99.8% of the total power with negligible thermal gradients and excellent low-frequency transmission. This allows a reduction in the IR thermal loading to negligible levels in a single cold filter. These composite filters are fabricated on silicon substrates, which provide excellent thermal transport laterally through the filter and ensure that the entire area of the absorptive filter stays near the bath temperature. A metamaterial antireflection coating cut into these substrates reduces in-band reflections to below 1%, and the in-band absorption of the powder mix is below 1% for signal bands below 750 GHz. This type of filter can be directly incorporated into silicon refractive optical elements.

Munson, C. D.↗
NASA NTRS2020

Exploring the Limits of the Data-Model-Theory Synergy: “Hot” MW Transitions for Rovibrational IR Studies

In order to further improve the accuracy of rovibrational IR line lists generated from the “Best Theory +Reliable High-resolution Experiment” (BTRHE) strategy from 0.01-0.05 cm-1, or 300-1500 MHz, to ~10 MHz, we explore the current limits of the Data-Model-Theory synergy by examining the accuracy and consistency of existing data, then propose that “hot” bands in microwave (MW) spectra is the solution we need for future enhancements. The Ames SO2 J=0-20 rovibrational energy levels computed on the semi-empirically refined Ames-2 potential energy surface (PES) are fit to the Effective Hamiltonian (EH) model regularly used in the experimental infrared (IR) analysis for SO2 isotopologues. In the fitted EH(Ames) model, the rotational constants A/B/C and all 5 quartic centrifugal distortion constants display clear, systematic, and consistent patterns along the vibrational state energy or quanta. Such consistent patterns may facilitate the vibrational assignments for MW hot bands and extract more information from high temperature MW spectra. Some EH(Expt) analyses were carried out with the lowest order Coriolis Coupling term, C1. Their constants should not be directly compared with other EH(Expt) and EH(Ames) results. After excluding them, our  = EH(Ames)- EH(Expt) analyses for 5 isotopologues (626, 636, 646, 628 and 828) indicates some loss of accuracy and consistency starting from vibrational states as low as 22 or 1000 cm-1. Some EH parameters, e.g. K, may have relative deviations as large as 50-100% and totally lose any recognizable patterns. This simply means that current EH(Expt) models do not have the system-wide consistency we need to further refine the EH(Ames) and Ames rovibrational IR line lists. A large part of such defects are probably inherited from the limited precision of experimental line positions, i.e. 1E-3 ~ 1E-4 cm-1, or 3-30 MHz. This is confirmed in a series of truncation tests using the Ames data. Although the EH(Ames) consistency may help identify unreliable rovibrational EH(Expt) parameters, and make reliable predictions for minor isotopologues and unobserved vibrational bands, we believe only the highly accurate “hot” MW transitions can provide real enhancements for EH(Expt) accuracy and consistency. “Hot” MW spectra should play a more significant role in the future synergy of Data, Model, and Theory in the field of rovibrational IR studies.

Xinchuan Huang↗
NASA NTRS2018

Quantitative validation of Ames IR intensity and new line lists for (32/33/34)S(16)O2, (32)S(18)O2 and (16)O(32)S(18)O

The quality of Ames-296K SO2 Infrared (IR) line list intensities is first validated by quantitative exploration of several dipole moment surfaces (DMSs) and partition sum convergence. The DMSs are computed with several of Dunning’s correlation-consistent basis sets and their vibrational dependence are compared to the empirical model derived from Stark effect experiments reported by D. Patel, D. Margolese, and T.R. Dykea [J.Chem.Phys. 70, 2740 (1979)]. The effective dipole deviations from the DMS adopted in the Ames IR lists is 0.2-0.4% for vibrational states up to 3v3. The vibrational dependence of the dipole moment is also in good agreement, except for nv1. Partition sum convergence at 296K is confirmed by new calculations with rotational quantum number J up to 150 and upper state E’ up to 8000 cm-1. The isotopologue consistency of the Ames IR line lists is superior relative to the regular Effective Hamiltonian (EH) models and Effective Dipole Moment (EDM) models. The v1+v2 and v2+v3 intensity consistency check reveals the recently reported experimental intensities need significant improvement or re-analysis. After the accuracy, convergence, and isotopologue consistency have been confirmed, the theoretical Ames-296K intensities are combined with the experimental line positions or EH models that experimental spectroscopists published after 2009. Three high-resolution IR line sets are reported for the (32/33/34)S(16)O2, (32)S(18)O2 and (16)O(32)S(18)O isotopologues: (1) the “New Lines Sets” include experimentally measured line positions; (2) the “Expanded Line Sets” include possible transitions among new rovibrational levels assigned in experiments and ground state (GS) levels predicted by reliable EH models; (3) the “Ames + MARVEL Sets” include possible transitions among all those levels reported in a recent MARVEL analysis. [Tóbiás et al, JQSRT 208, 152 (2018)]. Compared to the limited data in High-resolution TRANsmission molecular absorption database (HITRAN), these line sets have significantly improved the data coverage up to 4000 cm-1. Some missing bands can be traced to the unpublished experimental data. The isotopologue consistency of these line sets will help identify the uncertainties and defects in the experimental EH and EDM models. These line sets are good candidates for the next HITRAN update, if line shape parameters are available. The line sets can be downloaded from supplementary files or from the Ames Molecular Spectroscopic Database at http://huang.seti.org.

Xinchuan Huang↗
NASA NTRSDate not supplied

Pushing the Application Limit of Hyperspectral IR Sounder Remote Sensing for Frontiers of Weather and Climate Studies

Since the launch of AQUA Atmospheric Infrared Sounder (AIRS) in 2002, space-borne hyperspectral infrared (IR) sounders have provided information-rich, climate quality, and time-continuous spectral radiance measurements at the top of the atmosphere for more than two decades. Satellite based hyperspectral IR sensors, including AIRS, Cross-track Infrared Sounder (CrIS), and Infrared Atmospheric Sounding Interferometer (IASI), have demonstrated their critical roles for various weather applications and climate related studies. New use of hyperspectral IR sounder data will focus on underexplored areas. Current use of those data is generally limited by the capability of fully exploring and exploiting high spectral resolution information content, achieving radiometric accuracy and stability defined by the instruments, and merging data from different sensors to build a consistent, long-term climate data record. We will present the on-going research efforts at NASA Langley Research Center (LaRC) to develop novel hyperspectral IR sounder data products to address those potentials yet to be fully realized. Some applications of these products, including the study of Planetary Boundary Layer (PBL), the construction of climate data record over polar region, and the fusion of AIRS and CrIS data via the radiometric consistent climate fingerprinting method will be discussed.

Wan Wu↗
DOE OSTI2026

Complete Phase Transformation of Ir Nanowire Network into Defect-Rich Oxide Catalyst for High-Performance PEM Water Electrolysis

Iridium-based catalysts remain the most reliable option for the oxygen evolution reaction (OER) in proton exchange membrane water electrolyzers (PEMWEs). However, their high cost and limited performance represent critical barriers to the commercialization of this green hydrogen production technology. Herein, we report the creation of a metallic Ir nanowire network (IrNWN), which exhibits superior OER performance through its in-situ transition into an oxide structure with high intrinsic activity. At a low loading of 0.25 mgIr/cm2 in PEMWEs, IrNWN achieved a current density of 3.13 A/cm2 at a cell voltage of 1.8 V, outperforming the commercial Ir-based catalyst and surpassing the Department of Energy (DOE) 2026 technical target. Moreover, the high activity of IrNWN was maintained for 900 hours in a durability test at 2 A/cm2, showing a low degradation rate of 0.042 mV/hour. Structural analysis of the electrochemically oxidized IrNWN revealed the presence of mixed Ir oxidation states and a high density of surface terminal oxygen groups (μ1-O), which contributed to a reduced energy barrier for the rate-determining O-O coupling step.

oxygen evolution reaction↗
DOE OSTI2024

Carbon Nanospheres Loaded with Ir Single Atoms: Enhancing the Activity toward Formic Acid Oxidation by Increasing the Porosity

Theoretically, single-atom catalysts (SACs) offer 100 % atom utilization, making them strong candidates to replace expensive nanoparticles for catalysis. However, the structural supports used to anchor the SACs dramatically reduce the utilization efficiency of atoms ( i. e ., the percent of atoms actually accessible by reactants) by either encapsulating the SACs completely or creating severe diffusion limitation. Either of which leads to an overall low atom utilization and thus poor electrocatalytic activity similar to that of nanoparticles. In addressing this issue, we systematically investigated how the porous structure of carbon nanospheres affects the activity of Ir-SACs toward formic acid oxidation (FAO). Specifically, we utilized a kinetically-controlled growth strategy to produce uniform carbon nanospheres featuring yolk-shell, mesoporous, and hollow structures with Ir-SACs loaded throughout the structure. At a high specific surface area of 441 m 2 g -1 and exposed metal content of 1.82 wt %, the Ir-SACs based on mesoporous carbon nanospheres showed a remarkable FAO peak current density of 30.6 mA cm -2 , which was 283 and 46 times greater when benchmarked against the catalysts based on solid carbon nanospheres and 20 wt % Ir/C, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Microfibril orientation and compositional heterogeneity in fiber and vessel cell walls of poplar xylem studied by AFM-IR and SFG spectroscopy

Understanding the structural organization of cellulose microfibrils (CMFs) within individual plant cell walls is essential for connecting cell wall architecture to its mechanical and physiological functions. However, due to the complex hierarchical structure and nanoscale heterogeneity of cell walls, it remains technically challenging to resolve detailed compositional and orientational information at subcellular levels of individual cell walls. This study investigates the internal 3D structure, chemical composition, and sublayer organization of fiber and vessel cell walls in the xylem tissue of a two-year-old field-grown hybrid poplar tree (Populus alba × P. glandulosa) using photothermal atomic force microscopy coupled with infrared spectroscopy (AFM-IR) and sum frequency generation (SFG) hyperspectral microscopy. AFM-IR provided nanoscale chemical imaging, revealing localized compositional heterogeneity, including variations between adjacent cell walls and transitional layers beyond the traditional S1, S2, and S3 sublayers. SFG microscopy revealed that CMFs in fiber walls are highly aligned along the stem axis, consistent with their role in mechanical support, while vessel cell walls exhibited slightly tilted CMFs, reflecting their function in hydraulic transport. Together, these results offer new insights into cell-type-specific CMF organization and compositional gradients in hybrid poplar xylem. These findings highlight the structural and chemical complexity of secondary cell walls in woody plants and demonstrate the value of AFM-IR and SFG spectroscopy in elucidating plant cell wall architecture.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Nuclear excitation functions for medical isotope production: Targeted radionuclide therapy via nat IR$(d, x)$ 193m Pt

193m Pt is an Auger emitting radionuclide which may have therapeutic potential, particularly when labeled to the chemotherapeutic drug cisplatin. One challenge to broader explorations of its clinical potential is the need for production routes with high specific activity. As part of a larger campaign to address gaps in reaction data for emerging medical radionuclides, this work seeks to characterize the nat Ir(d,x) reactions as a potential production pathway for 193m Pt. A stacked target irradiation, consisting of natural iridium, iron, nickel, and copper foils, was performed using a 33 MeV deuteron beam at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron. This measurement, along with previous experimental data, suggests an energy window between 11 to 18 MeV to maximize the production and radiopurity of 193m Pt. This experiment has yielded cross sections for 43 channels of deuteron-induced reactions from threshold to 30 MeV, including the first experimental results of nat Ir(d,x) 188m1+g,190m1+g Ir (cumulative), nat Ni(d,x) 56,57,58 m,58g Co (independent), nat Cu(d,x) 61 Co (cumulative) and nat Fe(d,x) 53 Fe, 48 V (cumulative). The results were compared with literature data, the TENDL-2023 database, and default theoretical calculations from the TALYS-2.04, CoH-3.6.0, EMPIRE 3.2.3, and ALICE-2020 reaction modeling codes. Here, this work presents another example of the lack of predictive capabilities for this set of modern nuclear-reaction modeling codes, and highlights the unsatisfactory modeling of experimental cross sections. Experimental data are important to improve the codes in general, and new experimental results can be used to improve the models. Finally, this measurement has revealed the need for an updated evaluation of the nat Cu(d,x) 63 Zn deuteron monitor reaction.

193mPt↗
DOE OSTI2021

Ir(III)-Naphthoquinone complex as a platform for photocatalytic activity

Inspired by the primary events that take place in Photosystem II (PSII), we designed and synthesized a heteroleptic Ir(III) complex featuring an attached naphthoquinone (NQ) as an electron transfer (ET) auxiliary reminiscent of the plastoquinone electron acceptor in PSII. In this design, NQ is covalently attached to the 2,2'-bipyridyl (bpy) ligand of [Ir(dF(CF 3 )ppy) 2 (bpy)][PF 6 ], (dF(CF 3 )ppy = 2-(2,4-difluorophenyl)-5-(trifluoromethyl)pyridine). Following excitation of the photocatalyst ([Ir(dF(CF 3 )ppy) 2 (bpy-NQ)][PF 6 ]), reduced NQ (NQ •– ) was observed in transient absorption spectroscopy. Here, this novel catalyst has potential applications in oxidative and reductive photocatalytic processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2014

Structural dynamics inside a functionalized metal–organic framework probed by ultrafast 2D IR spectroscopy

Significance A unique aspect of metal–organic frameworks (MOFs) is their structural flexibility coexisting with a degree of regularity. Adsorbed guest molecules can cause MOF pore shapes to deform. Pore shape changes may be related to the high capacity and selectivity of the MOFs for gas adsorption and other processes. MOF flexibility and other properties are influenced by fast dynamics of the framework. Direct measurements to characterize fast motions of the MOFs have not been applied previously. We show that 2D IR spectroscopy can be performed on functionalized MOFs. We use 2D IR and other ultrafast IR methods to elucidate the timescales for ultrafast structural fluctuations and how they are influenced by a solvent filling the pores.

2D IR spectroscopy↗
NASA NTRS2005

Development of mid-IR lasers for Laser Remote Sensing

There is an existing need in JPL and in NASA for development of mid-IR lasers, such as Quantum Cascade (QC) lasers, for in-situ and remote laser spectrometers. Mid-IR, compact, low power consumption laser spectrometers have a great potential for detection and measurements of planetary gases and biological important biomarker molecules such as H20, H202, CH4, and many additional chemical species on Mars and other Solar system planets. Another potential application of QC lasers for future NASA mission is in high power remote Laser Reflectance Spectrometers (LRS). In LSR instrument, mid-infrared lasers will act as the illumination source for conducting active mid-IR reflectance spectroscopy of solid-surfaced objects in the outer Solar System. These spectrometers have the potential to provide an incredible amount of information about the compositions of surfaces in the outer Solar System. In this work, we will discuss our current effort at JPL to advance QC lasers to a level that the laser performance, operational requirements and reliability be compatible with the instruments demands for space exploration applications.

Mid - IR lasers↗
NASA NTRS2023

Extending Aquatic Spectral Information with the First Radiometric IR-B Field Observations

Planetary radiometric observations enable remote sensing of biogeochemical parameters to describe spatiotemporal variability in aquatic ecosystems. For approximately the last half century, the science of aquatic radiometry has established a knowledge base using primarily, but not exclusively, visible wavelengths. Scientific subdisciplines supporting aquatic radiometry have evolved hardware, software, and procedures to maximize competency for exploiting visible wavelength information. This perspective culminates with the science requirement that visible spectral resolution must be continually increased to extract more information. Other sources of information, meanwhile, remain underexploited, particularly information from nonvisible wavelengths. Herein, absolute radiometry is used to evaluate spectral limits for deriving and exploiting aquatic data products, specifically the normalized water-leaving radiance, Γ(λ)⁠, and its derivative products. Radiometric observations presented herein are quality assured for individual wavebands, and spectral verification is conducted by analyzing celestial radiometric results, comparing agreement of above- and in-water observations at applicable wavelengths, and evaluating consistency with bio-optical models and optical theory. The results presented include the first absolute radiometric field observations of Γ(λ) within the IR-B spectral domain (i.e. spanning 1400–3000 nm), which indicate that IR-B signals confer greater and more variable flux than formerly ascribed. Black-pixel processing, a routine correction in satellite and in situ aquatic radiometry wherein a spectrum is offset corrected relative to a nonvisible waveband (often IR-B or a shorter legacy waveband) set to a null value, is shown to degrade aquatic spectra and derived biogeochemical parameters.

aquatic optics↗
DOE OSTI2023

Synergistic Co-Ir/Ru Composite Electrocatalysts Impart Efficient and Durable Oxygen Evolution Catalysis in Acid

Exploring highly active and robust catalysts, which have low precious metal content, to boost the kinetically sluggish oxygen evolution reaction (OER) is a key concern for hydrogen production via proton exchange membrane water electrolysis (PEMWE). Here, in this work, rational engineering of the morphology and the local geometric ligand environment of Ir and Ru catalysts are presented by using defect-rich, lanthanum- and lithium-doped Co 3 O 4 nanofiber (LLCF) as substrate that promotes the electrocatalytic OER. Two catalysts, IrCoOx@LLCF and RuCoOx@LLCF, achieve mass activities of 1013.5 A g Ir –1 and 1911.4 A g Ru –1 in 0.1 M HClO 4 at 300 mV overpotential, respectively, which are 26 and 50 times higher than that of commercial IrO 2 and RuO 2 . Operando X-ray absorption spectroscopy unveils the reversible structure of IrCoOx during the OER and the suppression of over-oxidation of Co and Ir, giving rise to high stability. Density functional theory calculations reveal that the local geometric ligand engineering optimizes the binding of oxygenated species to the active sites, resulting in strongly enhanced catalytic activity.

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

Striking differences in properties of geometric isomers of [Ir(tpy)(ppy)H](+): Experimental and computational studies on their hydricities, interaction with CO 2 , and photochemistry

Here, we prepared two geometric isomers of [Ir(tpy)(ppy)H] + , previously proposed as a key intermediate in the photochemical reduction of CO 2 to CO, and characterized their notably different ground- and excited-state interactions with CO 2 and their hydricities using experimental and computational methods. Only one isomer, C-trans-[Ir(tpy)(ppy)H] + , reacts with CO 2 to generate the formato complex in the ground state, consistent with its calculated hydricity. Under photocatalytic conditions in CH 3 CN/TEOA, a common reactive C-trans-[Ir(tpy)(ppy)] 0 species, irrespective of the starting isomer or monodentate ligand (such as hydride or Cl), reacts with CO 2 and produces CO with the same catalytic efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Use of Fourier Transform IR Spectroscopy for the Study of Saliva Composition

The IR spectrum of saliva may be divided into groups of absorption bands corresponding to lipids, proteins, nucleic acids, and sugars. The finding of thiocyanate ion absorption bands is a characteristic feature of the spectra of saliva. In comparing a typical IR spectrum of saliva with the spectra of albumin, glucose, and lysozyme, a similarity is noted at 1100–1040 cm{sup –1} with the spectrum of albumin and at 1700–1400 cm{sup –1} with the spectra of glucose and lysozyme. It was shown that sugars are found in saliva in a form bound with proteins. Correlations were found between band intensities in the IR spectrum of saliva and its biochemical composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Development of a Small-Pixel Ir-TES for Optical Applications

We designed and fabricated a photon-number-resolving detector based on an iridium (Ir) transition-edge sensors (TES) with small timing jitter time for coherent optical communication. The current–voltage relationship of the small Ir-TES, with an effective area of 7 μm × 7 μm, was measured, and its electrothermal feedback operation was confirmed. This device had a transition temperature of 280 mK, which is higher than that of bulk Ir, because of the wide contact area.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗