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DOE OSTI2025

Optical Absorption Spectroscopy Probes Water Wire and Its Ordering in a Hydrogen-Bond Network

Water wires, quasi-one-dimensional chains composed of hydrogen-bonded (H-bonded) water molecules, play a fundamental role in numerous chemical, physical, and physiological processes. Yet direct experimental detection of water wires has been elusive so far. Based on advanced many-body theory that includes electron-hole interactions, we report that optical absorption spectroscopy can serve as a sensitive probe of water wires and their ordering. In both liquid and solid water, the main peak of the spectrum is discovered to be a charge-transfer exciton. In water, the charge-transfer exciton is strongly coupled to the H-bonding environment where the exciton is excited between H-bonded water molecules with a large spectral intensity. In regular ice, the spectral weight of the charge-transfer exciton is enhanced by a collective excitation occurring on proton-ordered water wires, whose spectral intensity scales with the ordering length of water wire. The spectral intensity and excitonic interaction strength reaches its maximum in ice XI, where the long-range ordering length yields the most pronounced spectral signal. Our findings suggest that water wires, which widely exist in important physiological and biological systems and other phases of ice, can be directly probed by this approach. Published by the American Physical Society 2025

Tang, Fujie (ORCID:0000000197615359)↗

DOE OSTI2024

Engineering Terpene Production Pathways in Methylobacterium extorquens AM1

Terpenes are diverse specialized metabolites naturally found within plants and have important roles in inter-species communication, adaptation and interaction with the environment. Their industrial applications span a broad range, including fragrances, flavors, cosmetics, natural colorants to agrochemicals and therapeutics, yet formal chemical synthesis is economically challenging due to structural complexities. Engineering terpene biosynthesis could represent an alternative in microbial biotechnological workhorses, such as Saccharomyces cerevisiae or Escherichi coli, utilizing sugars or complex media as feedstocks. Host species that metabolize renewable and affordable carbon sources may offer unique sustainable biotechnological alternatives. Methylotrophs are bacteria with the capacity to utilize one-carbon feedstocks, such as methanol or formate. They colonize the phyllosphere (above-ground area) of plants, and many accumulate abundant carotenoid pigments. Methylotrophs have the capacity to take up and use a subset of the rare earth elements known as lanthanides. These metals can enhance one-carbon (methylotrophic) metabolism. Here, we investigated whether manipulating the metabolism enables and enhances terpene production. A carotenoid-deficient mutant potentially liberates carbon, which may contribute to bioproduct accumulation. To test this hypothesis, terpene-producing bacterial strains regulated by two distinct promoters were generated. Wildtype Methylobacterium extorquens, ∆Meta1_3665, a methylotrophic mutant lacking the carotenoid pathway, and an E. coli strain were transformed with an exogenous terpene pathway and grown both in the presence and absence of lanthanides. The extraction, and the comparison of analytical profiles, provided evidence that engineered cultured M. extorquens under control of a native, inducible methylotrophic promoter can yield the sesquiterpene patchoulol when supplemented with lanthanide. In contrast, using a moderate-strength constitutive promoter failed to give production. We demonstrated colonization of the phyllosphere with the engineered strains, supporting the future engineering of selected species of the plant microbiome and with promising implications for the synthetic biology of small molecules.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Connecting Galactic Outflows and Star Formation: Inferences from Hα Maps and Absorption-line Spectroscopy at 1 ≲ z ≲ 1.5

We investigate the connection between galactic outflows and star formation using two independent data sets covering a sample of 22 galaxies between 1 ≲ z ≲ 1.5. The Hubble Space Telescope WFC3/G141 grism provides low spectral resolution, high spatial resolution spectroscopy yielding Hα emission-line maps from which we measure the spatial extent and strength of star formation. In the rest-frame near-UV, Keck/DEIMOS observes Fe ii and Mg ii interstellar absorption lines, which provide constraints on the intensity and velocity of the outflows. We compare outflow properties from individual and composite spectra with the star formation rate (SFR) and SFR surface density (Σ{sub SFR}), as well as the stellar mass and specific SFR (sSFR). The Fe ii and Mg ii equivalent widths (EWs) increase with both SFR and Σ{sub SFR} at ≳3σ significance, while the composite spectra show larger Fe ii EWs and outflow velocities in galaxies with higher SFR, Σ{sub SFR}, and sSFR. Absorption-line profiles of the composite spectra further indicate that the differences between subsamples are driven by outflows rather than the interstellar medium. While these results are consistent with those of previous studies, the use of Hα images makes them the most direct test of the relationship between star formation and outflows at z > 1 to date. Future facilities such as the James Webb Space Telescope and the upcoming Extremely Large Telescopes will extend these direct, Hα-based studies to lower masses and SFRs, probing galactic feedback across orders of magnitude in galaxy properties and augmenting the correlations we find here.

47 OTHER INSTRUMENTATION↗

NASA NTRS1971

An analytical and experimental study of the behavior of semi-infinite metal targets under hypervelocity impact

The material strength and strain rate effects associated with the hypervelocity impact problem were considered. A yield criterion involving the second and third invariants of the stress deviator and a strain rate sensitive constitutive equation were developed. The part of total deformation which represents change in shape is attributable to the stress deviator. Constitutive equation is a means for analytically describing the mechanical response of a continuum under study. The accuracy of the yield criterion was verified utilizing the published two and three dimensional experimental data. The constants associated with the constitutive equation were determined from one dimensional quasistatic and dynamic experiments. Hypervelocity impact experiments were conducted on semi-infinite targets of 1100 aluminum, 6061 aluminum alloy, mild steel, and commercially pure lead using spherically shaped and normally incident pyrex projectiles.

Chakrapani, B.↗

NASA NTRS1973

Elevated temperature deformation of TD-nickel.

Sensitivity of the elevated temperature (above 0.5 Tm) deformation of TD-nickel to grain size and shape was examined in both tension and creep. Elevated temperature strength increased with increasing grain diameter and increasing L/D ratio. Temperature sensitivity of the yield stress, as well as high (compared to self diffusion) apparent tensile activation enthalpies were the result of the internal stress not being proportional to the shear modulus. Creep activation enthalpies increased with increasing L/D ratio and, to a lesser extent, increasing grain diameter, reaching high values which may be apparent values. The thoria particle dispersion may have been altered by elevated temperature tensile and creep deformation.

Petrovic, J. J.↗

NASA NTRS1986

Burner rig corrosion of SiC at 1000 C

Sintered alpha-SiC was examined in both oxidation and hot corrosion with a burner rig at 400 kPa (4 atm) and 1000 C with a flow velocity of 94 m/s. Oxidation tests for times to 46 h produced virtually no attack, whereas tests with 4 ppm Na produced extensive corrosion in 13.5 h. Thick glassy layers composed primarily of sodium silicate formed in the salt corrosion tests. This corrosion attack caused severe pitting on the silicon carbide substrate and led to a 32 percent decrease in strength, compared to the as-received material. Parallel furnace tests of Na2SO4/air-induced attack yielded basically similar results, with slight product composition differences. The differences are explained in terms of the continuous sulfate deposition which occurs in a burner rig.

Jacobson, N. S.↗

NASA NTRS1995

Hybrid Upwind Splitting (HUS) by a Field-by-Field Decomposition

We introduce and develop a new approach for upwind biasing: the hybrid upwind splitting (HUS) method. This original procedure is based on a suitable hybridization of current prominent flux vector splitting (FVS) and flux difference splitting (FDS) methods. The HUS method is designed to naturally combine the respective strengths of the above methods while excluding their main deficiencies. Specifically, the HUS strategy yields a family of upwind methods that exhibit the robustness of FVS schemes in the capture of nonlinear waves and the accuracy of some FDS schemes in the resolution of linear waves. We give a detailed construction of the HUS methods following a general and systematic procedure directly performed at the basic level of the field by field (i.e. waves) decomposition involved in FDS methods. For such a given decomposition, each field is endowed either with FVS or FDS numerical fluxes, depending on the nonlinear nature of the field under consideration. Such a design principle is made possible thanks to the introduction of a convenient formalism that provides us with a unified framework for upwind methods. The HUS methods we propose bring significant improvements over current methods in terms of accuracy and robustness. They yield entropy-satisfying approximate solutions as they are strongly supported in numerical experiments. Field by field hybrid numerical fluxes also achieve fairly simple and explicit expressions and hence require a computational effort between that of the FVS and FDS. Several numerical experiments ranging from stiff 1D shock-tube to high speed viscous flows problems are displayed, intending to illustrate the benefits of the present approach. We assess in particular the relevance of our HUS schemes to viscous flow calculations.

Coquel, Frederic↗

NASA NTRS2001

Solid Inflammability Boundary at Low-Speed (SIBAL)

This research program is concerned with the effect of low-speed, concurrent flow on the spreading and extinction processes of flames over solid fuels. The primary objective is to verify the theoretically predicted extinction boundary, using oxygen percentage and flow velocity as coordinates. Of particular interest are the low-speed quenching limits and the existence of the critical oxygen flammability limit. Detailed flame spread characteristics, including flame spread rate, flame size, and flame structure are sought. Since the predicted flame behavior depends on the inclusion of flame and surface radiation, the measured results will also be used to assess the importance of radiative heat transfer by direct comparison to a comprehensive numerical model. The solid fuel used in this experiment is a custom-made fabric consisting of a 1:1 blend of cotton and fiberglass. This choice was made following an extensive search to yield a material with favorable properties, namely, rollability, non-cracking behavior during combustion, strength after combustion, and flammability in a range of oxygen limits permissible within the Combustion Integrated Rack (CIR) on the International Space Station. At the present time, an effort is being made to characterize both the radiative properties of the fuel and the flame spreading behavior in normal gravity at reduced pressure. These will provide a basis for comparison with the microgravity results as well as aid in bracketing the anticipated flammability boundary for the flight experiment. An overview of recent work, with emphasis on theoretical results, is presented.

T'ien, James↗

NASA NTRS2014

Comet C2012 S1 (ISON)s Carbon-rich and Micron-size-dominated Coma Dust

Comet C/2012 S1 (ISON) was unique in that it was a dynamically new comet derived from the Nearly Isotropic Oort cloud reservoir of comets with a sun-grazing orbit. We present thermal models for comet ISON (rh approx.1.15 AU, 2013-Oct-25 11:30 UT) that reveal comet ISON's dust was carbon-rich and dominated by a narrow size distribution dominated by approx. micron-sized grains. We constrained the models by our SOFIA FORCAST photometry at 11.1, 19.7 and 31.5 microns and by a silicate feature strength of approx.1.1 and an 8-13microns continuum greybody color temperature of approx. 275-280 K (using Tbb ∝ r−0.5 h and Tbb approx. 260-265 K from Subaru COMICS, 2013-Oct-19 UT)[1,2]. N-band spectra of comet ISON with the BASS instrument on the NASA IRTF (2013-Nov-11-12 UT) show a silicate feature strength of approx. 1.1 and an 11.2microns forsterite peak.[3] Our thermal models yield constraints the dust composition as well as grain size distribution parameters: slope, peak grain size, porosity. Specifically, ISON's dust has a low silicate-to- amorphous carbon ratio (approx. 1:9), and the coma size distribution has a steep slope (N4.5) such that the coma is dominated by micron-sized, moderately porous, carbon-rich dust grains. The N-band continuum color temperature implies submicronto micron-size grains and the steep fall off of the SOFIA far-IR photometry requires the size distribution to have fewer relative numbers of larger and cooler grains compared to smaller and hotter grains. A proxy for the dust production rate is fρ approx.1500 cm, akin to Afρ. ISON has a moderate-to-low dust-to-gas ratio. Comet ISON's dust grain size distribution does not appear similar to the few well-studied long-period Nearly Isotropic Comets (NICs), namely C/1995 O1 (Hale-Bopp) and C/2001 Q4 (NEAT) that had smaller and/or more highly porous grains and larger sizes, or C/2007 N4 (Lulin) and C/2006 P1 (McNaught) that had large and/or compact grains. Radial transport to comet-forming disk distances (≥ 20 AU) is easier for smaller grains (≤1 micron) than for larger grains (approx. 20 microns like Stardust terminal particles). The presence of predominantly micron-sized and smaller grains suggests comet ISON may have formed either earlier in disk evolution whereby larger grains did not have the time to be transported to distances beyond Neptune, or the comet formed so far out in the disk that larger grains did not traverse such large radial distances. The high carbon-content of ISON's refractory dust appears to be complimented by the presence of limitedlifetime organic (CHON-like) grain materials: preliminary analyses of near-IR and high-resolution optical spectra indicate that gas-phase daughter molecules C2, CN, and CH were more abundant than their parent molecules (C2H2, C2H6, measured in the near- IR). Dust composition as well as grain size distribution parameters (slope, peak grain size, and porosity) give clues to comet origins.

NASA/DLR Stratospheric Observatory↗

NASA NTRS2017

Is There a CME Rate Floor? CME and Magnetic Flux Values for the Last Four Solar Cycle Minima

The recent prolonged activity minimum has led to the question of whether there is a base level of the solar magnetic field evolution that yields a ''floor'' in activity levels and also in the solar wind magnetic field strength. Recently, a flux transport model coupled with magneto-frictional simulations has been used to simulate the continuous magnetic field evolution in the global solar corona for over 15 years, from 1996 to 2012. Flux rope eruptions in the simulations are estimated (Yeates), and the results are in remarkable agreement with the shape of the SOlar Heliospheric Observatory/Large Angle and Spectrometric Coronagraph Experiment coronal mass ejection (CME) rate distribution. The eruption rates at the two recent minima approximate the observed-corrected CME rates, supporting the idea of a base level of solar magnetic activity. In this paper, we address this issue by comparing annual averages of the CME occurrence rates during the last four solar cycle minima with several tracers of the global solar magnetic field. We conclude that CME activity never ceases during a cycle, but maintains a base level of 1 CME every 1.5 to approx. 3 days during minima. We discuss the sources of these CMEs.

Webb, D. F.↗

NASA NTRS2020

SNPP VIIRS RSB on-orbit radiometric calibration algorithms Version 2.0 and the performances. Part I: The algorithms

The first VIIRS instrument is aboard the Suomi National Polar-orbiting Partnership satellite. The instrument has 14 reflective solar bands (RSBs) to passively collect photons reflected from the Earth surface in the design wavelengths from 412 to 2250 nm. The instrument uses a solar diffuser (SD) to radiometrically calibrate its RSBs. When lit by the Sun through an attenuation screen (the SD screen), the SD diffusely reflects off the incident sunlight to act as a radiance source for the calibration. An onboard solar diffuser stability monitor (SDSM) yields the on-orbit change of the SD bidirectional reflectance distribution function (BRDF) by comparing the signal strength from the SD with that from the Sun attenuated by another attenuation screen (the SDSM screen). Complications arise due to the discovery that the on-orbit change of the BRDF is angle dependent. Additionally, the SDSM does not cover the wavelengths for the short-wave infrared bands in the RSBs. Furthermore, satellite yaw maneuvers were performed in the early mission to yield data for refining the prelaunch SDSM screen relative effective transmittance and the relative product of the SD screen transmittance and the BRDF at the mission start. But the yaw maneuver data are coarse in the solar azimuth angles and thus are unable to yield accurate values between the measurement angles. Over the years of performing on-orbit radiometric calibration through the SD for the VIIRSRSBs, we have developed several highly effective calibration algorithms to address the issues mentioned above. This paper reviews these algorithms.

on-orbit cailbration↗

NASA NTRS2020

SNPP VIIRS RSB on-orbit radiometric calibration algorithms Version 2.0 and the performances. Part I: The algorithms

Ning Lei↗

DOE OSTI2024

Mesophase pitch-based high performance carbon fiber production using coal extracts from mild direct coal liquefaction

Mild direct coal liquefaction (autogenous pressure, no catalyst, no H2 gas) of Springfield coal in fluid catalytic cracking decant oil is shown to effectively produce coal extract precursors to spinnable mesophase pitch. Here this work demonstrates that the coal extract can be thermally treated to obtain mesophase pitch in a facile one-step process, bypassing the production of an intermediate isotropic pitch. Furthermore, the presence of 25 wt.% coal in the initial slurry can increase the yield to mesophase pitch nearly twofold and yield to carbon fiber by approximately 70%. The coal extract-derived mesophase pitch was melt-spun and heat treated to produce carbon fiber with graphitic texture, high modulus (>400 GPa) and tensile strength up to 943 MPa. Overall, this work demonstrates that coal can be effectively utilized to markedly amplify the mesophase pitch and carbon fiber yield from fluid catalytic cracking decant oil by relatively simple processing, while conserving utility as a precursor to high performance carbon fiber and potentially other high value graphitic products.

36 MATERIALS SCIENCE↗

NASA NTRS2013

Lap Shear Testing of Candidate Radiator Panel Adhesives

During testing of a subscale radiator section used to develop manufacturing techniques for a full-scale radiator panel, the adhesive bonds between the titanium heat pipes and the aluminum face sheets failed during installation and operation. Analysis revealed that the thermal expansion mismatch between the two metals resulted in relatively large shear stresses being developed even when operating the radiator at moderate temperatures. Lap shear testing of the adhesive used in the original joints demonstrated that the two-part epoxy adhesive fell far short of the strength required. A literature review resulted in several candidate adhesives being selected for lap shear joint testing at room temperature and 398 K, the nominal radiator operating temperature. The results showed that two-part epoxies cured at room and elevated temperatures generally did not perform well. Epoxy film adhesives cured at elevated temperatures, on the other hand, did very well with most being sufficiently strong to cause yielding in the titanium sheet used for the joints. The use of an epoxy primer generally improved the strength of the joint. Based upon these results, a new adhesive was selected for the second subscale radiator section.

Ellis, David↗

DOE OSTI2021

Shear strength measurements and hydrostatic compression of rhenium diboride under high pressures

Shear strength measurements have been carried out on rhenium diboride, ReB 2 , to a pressure of 74 GPa using a Radial X-ray Diffraction (R-XRD) technique in a diamond anvil cell using platinum as an internal x-ray pressure standard. The R-XRD result has provided a unique insight into the deformation of hexagonal crystal lattice under non-hydrostatic compression and variation of shear strength with increasing pressure. From R-XRD data, we have estimated hydrostatic component of compression to determine an equation of state of rhenium diboride yielding a bulk modulus of K 0 = 366 ± 25 GPa with a pressure derivative $K^{'}_{0}$ = 4.3 ± 0.5 in good agreement with hydrostatic density functional theory calculations. Here, the average lower bound of shear strength (τ) from various diffraction planes was then calculated using the measured interplanar d-spacing (d m ) and hydrostatic component of d-spacing (d p ) to be shown to approach 6.7 ± 0.4 GPa at 70 GPa. Our results show that the anisotropic compression effects observed in ReB 2 under hydrostatic compression are correlated to electronic structure changes under compression as predicted by theoretical calculations.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Evidence for Ni-56 yields Co-56 yields Fe-56 decay in type Ia supernovae

In the prevailing picture of Type Ia supernovae (SN Ia), their explosive burning produces Ni-56, and the radioactive decay chain Ni-56 yields Co-56 yields Fe-56 powers the subsequent emission. We test a central feature of this theory by measuring the relative strengths of a (Co III) emission feature near 5900 A and a (Fe III) emission feature near 4700 A. We measure 38 spectra from 13 SN Ia ranging from 48 to 310 days after maximum light. When we compare the observations with a simple multilevel calculation, we find that the observed Fe/Co flux ratio evolves as expected when the Fe-56/Co-56 abundance ratio follows from Ni-56 yields Co-56 yields Fe-56 decay. From this agreement, we conclude that the cobalt and iron atoms we observe through SN Ia emission lines are produced by the radioactive decay of Ni-56, just as predicted by a wide range of models for SN Ia explosions.

Kuchner, Marc J.↗

NASA NTRS1989

Strain intensity factor approach for predicting the strength of continuously reinforced metal matrix composites

A method was previously developed to predict the fracture toughness (stress intensity factor at failure) of composites in terms of the elastic constants and the tensile failing strain of the fibers. The method was applied to boron/aluminum composites made with various proportions of 0 deg and +/- 45 deg plies. Predicted values of fracture toughness were in gross error because widespread yielding of the aluminum matrix made the compliance very nonlinear. An alternate method was develolped to predict the strain intensity factor at failure rather than the stress intensity factor because the singular strain field was not affected by yielding as much as the stress field. Far-field strains at failure were calculated from the strain intensity factor, and then strengths were calculated from the far-field strains using uniaxial stress-strain curves. The predicted strengths were in good agreement with experimental values, even for the very nonlinear laminates that contained only +/- 45 deg plies. This approach should be valid for other metal matrix composites that have continuous fibers.

Poe, Clarence C., Jr.↗

NASA NTRS1981

Stark effect spectrophone for continuous absorption spectra monitoring

A Stark effect spectrophone using a pulsed or continuous wave laser having a beam with one or more absorption lines of a constituent of an unknown gas is described. The laser beam is directed through windows of a closed cell while the unknown gas to be modified flows continuously through the cell between electric field plates disposed in the cell on opposite sides of the beam path through the cell. When the beam is pulsed, energy absorbed by the gas increases at each point along the beam path according to the spectral lines of the constituents of the gas for the particular field strengths at those points. The pressure measurement at each point during each pulse of energy yields a plot of absorption as a function of electric field for simultaneous detection of the gas constituents. Provision for signal averaging and modulation is included.

Kavaya, M. J.↗