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DOE OSTI2020

Investigation of the reaction mechanism of the hydrodeoxygenation of propionic acid over a Rh(1 1 1) surface: A first principles study

Microkinetic models based on first principles calculations have been used to study the vapor and liquid phase hydrodeoxygenation of propionic acid on a Rh(111) surface. Calculations suggest that both decarboxylation and decarbonylation do not occur at an appreciable rate under all reaction environments. Propanol and propionaldehyde are the main products on this surface and they are produced at similar rates in both vapor and liquid phase environments. While a condensed phase can shift the reaction rate, the dominant pathways and selectivity towards the various products are hardly affected. At 473 K, the turnover frequency is increased by about a factor of 1.5 in liquid water relative to the gas phase. In liquid 1,4-dioxane, the turnover frequency is also slightly increased relative to the gas phase. Here, given the uncertainty in Rh cavity radius in the liquid phase calculations, computations with different cavity radii have been performed. With larger Rh cavity radius, the promotional effect of the solvents on the turnover frequency becomes more significant, while practically no changes are observed for a smaller cavity radius.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Investigation of mode activity in NBI-heated experiments of Wendelstein 7-X

The 2018 operation phase (OP 1.2b) of the stellarator Wendelstein 7-X (W7-X) included, for the first time, neutral beam injection (NBI) to heat the plasma. Since the injection geometry at W7-X is not parallel, this generates both passing and trapped fast particles. During longer phases of NBI injection, with the primary purpose to study the heating efficiency of this system, Alfvén eigenmodes (AEs) were observed by a number of diagnostics, including the phase contrast imaging (PCI) system, the magnetic pick-up coils (Mirnov coils), and the soft x-ray multi-camera tomography system (XMCTS). Alfvén eigenmodes are of great interest for future fusion reactors as it has been shown that the resonant interaction of fast ions with self-excited AEs can lead to enhanced transport of fast ions and potentially to energy losses. This is especially true for so-called gap-modes, Alfvén eigenmodes with frequencies in gaps of the continuous spectrum, since they lack continuum damping. These modes are commonly known to be excited by fast ions, but other destabilizing mechanisms, e.g. the electron-pressure gradient are also possible. In this article we present a first analysis of the experimentally observed frequencies from the theoretical side. The calculation of shear Alfvén wave continua for selected cases and the assignment of observed frequencies to the gaps of the continuous spectra are presented. Using the ideal-MHD code CKA (Könies A. 2007 10th IAEA TM on Energetic Particles in Magnetic Confinement System), we find gap modes that match the experimental measurements in terms of the observed frequencies. We emphasize the crucial roles played by the coupling of sound and Alfvén waves as well as of the Doppler shift arising as a consequence of the radial electric field in W7-X. We employ the perturbative gyrokinetic code CKA-EUTERPE (Feh´er 2013 Simulation of the interaction between Alfv´en waves and fast particles), using a slowing-down distribution function for the fast ions as calculated by the Monte-Carlo particle following code ASCOT (Hirvijoki et al 2014 Comput. Phys. Commun. 185 1310–21) to assess the fast-ion drive. Here we find that the fast-ion drive is insufficient to overcome the background-plasma damping. The fact that unstable modes were observed experimentally may point to problems with the modelling or indicate the existence of other destabilizing mechanisms, e.g. associated with the electron-pressure gradient (Windisch et al 2017 Plasma Phys. Control. Fusion 59 105002) that sensitively depend on the profiles of the background plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Soil microbiome feedbacks during disturbance-driven forest ecosystem conversion

Abstract Disturbances cause rapid changes to forests, with different disturbance types and severities creating unique ecosystem trajectories that can impact the underlying soil microbiome. Pile burning—the combustion of logging residue on the forest floor—is a common fuel reduction practice that can have impacts on forest soils analogous to those following high-severity wildfire. Further, pile burning following clear-cut harvesting can create persistent openings dominated by nonwoody plants surrounded by dense regenerating conifer forest. A paired 60-year chronosequence of burn scar openings and surrounding regenerating forest after clear-cut harvesting provides a unique opportunity to assess whether belowground microbial processes mirror aboveground vegetation during disturbance-induced ecosystem shifts. Soil ectomycorrhizal fungal diversity was reduced the first decade after pile burning, which could explain poor tree seedling establishment and subsequent persistence of herbaceous species within the openings. Fine-scale changes in the soil microbiome mirrored aboveground shifts in vegetation, with short-term changes to microbial carbon cycling functions resembling a postfire microbiome (e.g. enrichment of aromatic degradation genes) and respiration in burn scars decoupled from substrate quantity and quality. Broadly, however, soil microbiome composition and function within burn scar soils converged with that of the surrounding regenerating forest six decades after the disturbances, indicating potential microbial resilience that was disconnected from aboveground vegetation shifts. This work begins to unravel the belowground microbial processes that underlie disturbance-induced ecosystem changes, which are increasing in frequency tied to climate change.

Nelson, Amelia R.↗

DOE OSTI2023

The Future of Supercells in the United States

A supercell is a distinct type of intense, long-lived thunderstorm that is defined by its quasi-steady, rotating updraft. Supercells are responsible for most damaging hail and deadly tornadoes, causing billions of dollars in losses and hundreds of casualties annually. This research uses high-resolution, convection-permitting climate simulations across 15-yr epochs that span the twenty-first century to assess how supercells may change across the United States. Specifically, the study explores how late-twentieth-century supercell populations compare with their late-twenty-first-century counterparts for two—intermediate and pessimistic—anthropogenic climate change trajectories. An algorithm identifies, segments, and tracks supercells in the simulation output using updraft helicity, which measures the magnitude of corkscrew flow through a storm’s updraft and is a common proxy for supercells. Results reveal that supercells will be more frequent and intense in future climates, with robust spatiotemporal shifts in their populations. Supercells are projected to become more numerous in regions of the eastern United States, while decreasing in frequency in portions of the Great Plains. Supercell risk is expected to escalate outside of the traditional severe storm season, with supercells and their perils likely to increase in late winter and early spring months under both emissions scenarios. Conversely, the latter part of the severe storm season may be curtailed, with supercells expected to decrease midsummer through early fall. These results suggest the potential for more significant tornadoes, hail, and extreme rainfall that, when combined with an increasingly vulnerable society, may produce disastrous consequences.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1970

System automatically tunes hydrogen masers

Automatic tuning system permits frequency synchronization between two hydrogen masers. System matches spaceborne clock performance with that of ground-based clock to test red shift theory. This system, used in conjunction with radio astronomy for long-baseline interferometer experiments, serves as a tool for investigation of distant universe phenomena.

Levine, M. W.↗

NASA NTRS1984

183 GHz water line variation: An energetic outburst in orion KL

Observations of the 3(13)-2(20) transition of water vapor in the direction of Ori MC1 in 1980 February show a 50% flux increase and an apparent additional red shift of approximately 2 km/s relative to the line observed in 1977 December. From a detailed examination of the amplitude and frequency calibration, it appears unlikely that the effect is due to systematic error. The increase is attributed to the appearance of a new component at a velocity of 12 km/s with respect to the local standard of rest. The new component also has broad wings. Increased emission from a region in the high-velocity core of Ori MC1 can be due either to additional far-IR radiation to pump the 1983 GHz transition or to a change in the physical conditions in the gas. Statistical equilibrium calculations using the large-velocity-gradient formalism were carried out to develop a model for the emission. The calculations support a model in which the gas in the region of enhanced emission is hotter than the dust. The temporal coincidence between the 183 GHZ increase and the 22 GH1 water maser outburst suggests a common, impulsive cause, which has heated the gas in a part of the HV source, enhancing the emission in both transitions.

Kuiper, T. B. H.↗

NASA NTRS1984

183 GHz water line variation - An energetic outburst in Orion KL

Observations of the 3(13)-2(20) transition of water vapor in the direction of Ori MC1 in 1980 February show a 50 percent flux increase and an apparent additional red shift of approximately 2 km/s relative to the line observed in 1977 December. From a detailed examination of the amplitude and frequency calibration, it appears unlikely that the effect is due to systematic error. The increase is attributed to the appearance of a new component at a velocity of 12 km/s with respect to the local standard of rest. The new component also has broad wings. Increased emission from a region in the high-velocity core of Ori MC1 can be due either to additional far-IR radiation to pump the 1983 GHz transition or to a change in the physical conditions in the gas. Statistical equilibrium calculations using the large-velocity-gradient formalism were carried out to develop a model for the emission. The calculations support a model in which the gas in the region of enhanced emission is hotter than the dust. The temporal coincidence between the 183 GHz increase and the 22 GH1 water maser outburst suggests a common, impulsive cause, which has heated the gas in a part of the HV source, enhancing the emission in both transitions.

Kuiper, T. B. H.↗

NASA NTRS2007

Establishing a Near Term Lunar Farside Gravity Model via Inexpensive Add-on Navigation Payload

The Space Communications and Navigation, Constellation Integration Project (SCIP) is tasked with defining, developing, deploying and operating an evolving multi-decade communications and navigation (C/N) infrastructure including services and subsystems that will support both robotic and human exploration activities at the Moon. This paper discusses an early far side gravitational mapping service and related telecom subsystem that uses an existing spacecraft (WIND) and the Lunar Reconnaissance Orbiter (LRO) to collect data that would address several needs of the SCIP. An important aspect of such an endeavor is to vastly improve the current lunar gravity model while demonstrating the navigation and stationkeeping of a relay spacecraft. We describe a gravity data acquisition activity and the trajectory design of the relay orbit in an Earth-Moon L2 co-linear libration orbit. Several phases of the transfer from an Earth-Sun to the Earth-Moon region are discussed along with transfers within the Earth-Moon system. We describe a proposed, but not integrated, add-on to LRO scheduled to be launched in October of 2008. LRO provided a real host spacecraft against which we designed the science payload and mission activities. From a strategic standpoint, LRO was a very exciting first flight opportunity for gravity science data collection. Gravity Science data collection requires the use of one or more low altitude lunar polar orbiters. Variations in the lunar gravity field will cause measurable variations in the orbit of a low altitude lunar orbiter. The primary means to capture these induced motions is to monitor the Doppler shift of a radio signal to or from the low altitude spacecraft, given that the signal is referenced to a stable frequency reference. For the lunar far side, a secondary orbiting radio signal platform is required. We provide an in-depth look at link margins, trajectory design, and hardware implications. Our approach posed minimum risk to a host mission while maintaining a very low implementation and operations cost.

Folta, David↗

NASA NTRS2017

Exotic Optical Fibers and Glasses: Innovative Material Processing Opportunities in Earth's Orbit

Exotic optical fibers and glasses are the platform material for photonics applications, primarily due to their superior signal transmission (speed, low attenuation), with extending bandwidth deep into the infrared, exceeding that of silica fibers. Gravitational effects (convection sedimentation) have a direct impact on the phase diagram of these materials and influence melting properties, crystallization temperatures, and viscosity of the elemental mix during the manufacturing process. Such factors constitute limits to the yield, transmission quality, and strength and value of these fibers; they also constrain the range of applications. Manufacturing in a gravity-free environment such as the Earth’s Orbit also helps with other aspects of the fabrication process (i.e., improved form factor of the manufacturing unit, sustainability). In this article, revolutionary developments in the field of photonics over the past decade merge with the paradigm shift in the privatization of government-owned capabilities supporting a more diverse infrastructure (parabolic, suborbital, orbital), reduced price, and increased frequency to access space and the microgravity environment. With the increased dependence on data (demand, bandwidth, efficiency), space and the microgravity environment provide opportunities for optimized performance of these exotic optical fibers and glasses underlying the development of enabling technologies to meet future data demand. Existing terrestrial markets (Internet, telecommunications, market transactions) and emerging space markets (onorbit satellite servicing, space manufacturing, space resources, space communications, etc.) seem to converge, and this innovative material processing opportunity of exotic optical fibers and glasses might just be that ‘‘killer app’’: technologically competitive, economically viable, and with the ability to close the business case.

Ioana Cozmuta↗

NASA NTRS2023

Land Surfaces at the Tipping-Point for Water and Energy Balance Coupling

The surface water and energy balances can be coupled or uncoupled depending on whether the evaporation regime is water-limited or energy-limited. As the landscape loses soil moisture during drydowns, a transition between the regimes may occur, which signifies a nonlinear change in water-energy-carbon coupling. Regions that switch often between these two regimes, that is, are dominated by neither regime, are particularly vulnerable to climate variability and change. To robustly identify these tipping points, we identify drydown events based on global soil moisture data sets from remote sensing. The event identification does not rely on precipitation information and is robust with respect to measurement noise. Then, the soil moisture thresholds delineating the evaporation regime transitions are determined by Sequential Monte Carlo Sampling and a two-stage parametrization strategy. Based on the estimated soil moisture thresholds across the globe, we estimate observation-based water availability indices which quantify the nonlinear controls of soil moisture on evaporation. This framework is tested and applied globally using Soil Moisture Active Passive soil moisture retrievals. Combined with a new tippling-point metric that describes the frequency of evaporation regime transitions, we identify regions that switch often between different evaporation regimes at the global scale. Given unit shifts in soil moisture, these regions will experience the most change in how their surface water and energy are coupled.

Jianzhi Dong↗

DOE OSTI2024

Encoding of symbols for a computer interconnect based on frequency of symbol values

Data are serially communicated over an interconnect between an encoder and a decoder. The encoder includes a first training unit to count a frequency of symbol values in symbol blocks of a set of N number of symbol blocks in an epoch. A circular shift unit of the encoder stores a set of most-recently-used (MRU) amplitude values. An XOR unit is coupled to the first training unit and the first circular shift unit as inputs and to the interconnect as output. A transmitter is coupled to the encoder XOR unit and the interconnect and thereby contemporaneously sends symbols and trains on the symbols. In a system, a device includes a receiver and decoder that receive, from the encoder, symbols over the interconnect. The decoder includes its own training unit for decoding the transmitted symbols.

SeyedzadehDelcheh, SeyedMohammad↗

DOE OSTI2023

Signal processing to reduce dark noise impact in precision timing

We introduce a technique to mitigate the effects of low frequency noise on precision timing. The example of Dark Count Noise Rate (DCR) in Silicon Photomultipliers (SiPMs) is emphasized. This technique exploits the correlation between time shifts on the leading edge of a signal and the residual slope of the baseline (due to noise) which remains after baseline subtraction. In fast timing applications (such as for Time-of-flight particle ID) the signal arrival time is typically captured on the signal leading edge. The signal risetime is often fixed by the physics of the sensor and input circuit. Then accurate pulse timing can be achieved by correcting a leading edge threshold time (depending on a slope proportional to both the Amplitude and the risetime) to a “constant fraction” time. This compensation for time walk due to amplitude fluctuations breaks down once we introduce interference from low frequency noise on the leading edge. In this paper we demonstrate that an additional measurement of the slope at threshold can be used to correct for this noise jitter.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Application of simulations and theory of sub-cyclotron frequency modes to DIII-D

Theoretical and numerical study of Alfvén eigenmodes (AEs) in the sub-cyclotron frequency range explains the observed frequency scaling with beam parameters in experiments across different devices. Global Alfvén (GAEs) and compressional Alfvén eigenmodes (CAEs) are frequently excited during neutral beam injection (NBI) in the National Spherical Torus Experiment (NSTX/NSTX-U), as well as other beam-heated devices such as MAST and DIII-D. These modes are driven unstable through the Doppler shifted cyclotron resonance with the NBI ions and can be excited in ITER due to super-Alfvénic velocities and anisotropy of the fast ion distribution. Numerical models and theory for sub-cyclotron frequency modes, previously developed and used to study the excitation of GAEs/CAEs in the NSTX(-U), have been successfully applied to explain the DIII-D observations. Simulations for DIII-D demonstrate that the modes with ω/ω ci ≈ 0.6, previously mis-identified as compressional Alfvén eigenmodes, have shear polarization and should be identified as the GAEs. Simulation results match the observed frequencies and estimated toroidal mode numbers in DIII-D experiments. Good agreement is found between scaling of the experimentally observed GAE frequencies with NBI parameters for NSTX, NSTX-U and DIII-D and scaling predicted by the theory and simulations. Here, the DIII-D simulation results also demonstrate that GAEs can be excited for larger aspect-ratio devices and smaller (sub- Alfvénic) beam injection velocities, therefore they can be unstable in ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Stream and ocean hydrodynamics mediate partial migration strategies in an amphidromous Hawaiian goby

Abstract Partial migration strategies, in which some individuals migrate but others do not, are widely observed in populations of migratory animals. Such patterns could arise via variation in migratory behaviors made by individual animals, via genetic variation in migratory predisposition, or simply by variation in migration opportunities mediated by environmental conditions. Here we use spatiotemporal variation in partial migration across populations of an amphidromous Hawaiian goby to test whether stream or ocean conditions favor completing its life cycle entirely within freshwater streams rather than undergoing an oceanic larval migration. Across 35 watersheds, microchemical analysis of otoliths revealed that most adult Awaous stamineus were freshwater residents (62% of n = 316 in 2009, 83% of n = 274 in 2011), but we found considerable variation among watersheds. We then tested the hypothesis that the prevalence of freshwater residency increases with the stability of stream flows and decreases with the availability of dispersal pathways arising from ocean hydrodynamics. We found that streams with low variation of daily discharge were home to a higher incidence of freshwater residents in each survey year. The magnitude of the shift in freshwater residency between survey years was positively associated with predicted interannual variability in the success of larval settlement in streams on each island based on passive drift in ocean currents. We built on these findings by developing a theoretical model of goby life history to further evaluate whether mediation of migration outcomes by stream and ocean hydrodynamics could be sufficient to explain the range of partial migration frequency observed across populations. The model illustrates that the proportion of larvae entering the ocean and differential survival of freshwater‐resident versus ocean‐going larvae are plausible mechanisms for range‐wide shifts in migration strategies. Thus, we propose that hydrologic variation in both ocean and stream environments contributes to spatiotemporal variation in the prevalence of migration phenotypes in A. stamineus . Our empirical and theoretical results suggest that the capacity for partial migration could enhance the persistence of metapopulations of diadromous fish when confronted with variable ocean and stream conditions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Nonlinear dynamics and dissipation of a curvilinear vortex driven by a strong time-dependent Meissner current

Here, we report numerical simulations of large-amplitude oscillations of a trapped vortex line under a strong ac magnetic field $\textit{H(t) = H}$ sin$\textit{ωt}$ parallel to the surface. The power dissipated by an oscillating vortex segment driven by the surface ac Meissner currents was calculated by taking into account the nonlinear vortex line tension, vortex mass, and a nonlinear Larkin-Ovchinnikov (LO) viscous drag coefficient $\textit{η(v)}$. We show that the LO decrease of $\textit{η(v)}$ with the vortex velocity $\textit{v}$ can radically change the field dependence of the surface resistance R i ( H ) caused by trapped vortices. At low frequencies, $R_i(H)$ exhibits a conventional increase with $\textit{H}$, but as $\textit{ω}$ increases, the surface resistance becomes a nonmonotonic function of $\textit{H}$ which decreases with $\textit{H}$ at higher fields. The effects of frequency, pin spacing, and the mean-free path $l_i$ on the field dependence of $R_i(H)$ were calculated. It is shown that, as the surface gets dirtier and $l_i$ decreases, the anomalous drop of $R_i(H)$ with $\textit{H}$ shifts to lower fields which can be much smaller than the lower critical magnetic field. Our numerical simulations also show that the LO decrease of $\textit{η(v)}$ with $\textit{v}$ can cause a vortex bending instability at high field amplitudes and frequencies, giving rise to the formation of dynamic kinks along the vortex. Measurements of $R_i(H)$ caused by sparse vortices trapped perpendicular to the surface can offer opportunities to investigate an extreme nonlinear dynamics of vortices driven by strong current densities up to the depairing limit at low temperatures. The behavior of $R_i(H)$, which can be tuned by varying the rf frequency or concentration of nonmagnetic impurities, is not masked by strong heating effects characteristic of dc or pulse transport measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1990

The status of cesium beam frequency standards

There has been a lot of progress in cesium beam frequency standards in the last few years some of which will be reported here. Optical pumping is being pursued actively in a number of laboratories. Optically slowed and cooled beams have been demonstrated as well as traps for cold neutral atoms. The microwave cavity performance with regard to local phase shift at the beam holes was improved by use of carefully designed and built ring structures for the cavity ends. Work is being done on improvements in electronics with some emphasis on use of digital circuitry and microprocessors. The frequency pulling due to microwave Delta M = +/- 1 transitions (Ramsey pulling) was analyzed and shown to be important. Status of cesium beam frequency standards in some of the laboratories as well as some of the commercial work is discussed. Optical pumping and detection are discussed.

Cutler, Leonard S.↗

DOE OSTI2024

Infrared signature of the hydroperoxyalkyl intermediate (·QOOH) in cyclohexane oxidation: An isomer-resolved spectroscopic study

Infrared (IR) action spectroscopy is utilized to characterize carbon-centered hydroperoxy-cyclohexyl radicals (·QOOH) transiently formed in cyclohexane oxidation. The oxidation pathway leads to three nearly degenerate ·QOOH isomers, β-, γ-, and δ-QOOH, which are generated in the laboratory by H-atom abstraction from the corresponding ring sites of the cyclohexyl hydroperoxide (CHHP) precursor. The IR spectral features of jet-cooled and stabilized ·QOOH radicals are observed from 3590 to 7010 cm −1 (∼10–20 kcal mol −1 ) at energies in the vicinity of the transition state (TS) barrier leading to OH radicals that are detected by ultraviolet laser-induced fluorescence. The experimental approach affords selective detection of β-QOOH, arising from its significantly lower TS barrier to OH products compared to γ and δ isomers, which results in rapid unimolecular decay and near unity branching to OH products. The observed IR spectrum of β-QOOH includes fundamental and overtone OH stretch transitions, overtone CH stretch transitions, and combination bands involving OH or CH stretch with lower frequency modes. The assignment of β-QOOH spectral features is guided by anharmonic frequencies and intensities computed using second-order vibrational perturbation theory. The overtone OH stretch (2ν OH ) of β-QOOH is shifted only a few wavenumbers from that observed for the CHHP precursor, yet they are readily distinguished by their prompt vs slow dissociation rates to OH products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Calibration of Distributed Temperature Sensors Using Commercially Available SMF-28 Optical Fiber From 22 °C to 1000 °C

Optical frequency domain reflectometry (OFDR) is a family of optical techniques which can be used to produce distributed temperature measurements from the spectral shift of an interference pattern based on the Rayleigh backscatter signature of an optical fiber. Adaptive signal processing techniques have recently been used with OFDR to record meaningful spectral shift data from commercially available SMF-28 optical fibers heated beyond 950 °C. Furthermore, a correlation between the measured spectral shift and temperature has not yet been developed at these high temperatures. To extend the measurable temperature range of OFDR in SMF-28, this work describes the development of such a correlation from room temperature (22 °C) to 1000 °C. The relationship between spectral shift and temperature change over this range was found to be best characterized by the fourth-order polynomial ΔT=(-4.241 * 10 -11 )S 4 + (-2.017 * 10 -7 )S 3 + (-3.677 * 10 -4 )S 2 + (-0.8057)S, where ΔT represents the temperature difference compared to the reference temperature, and S represents the spectral shift measured by the fibers. The calibration developed in this work assumes that the fiber has been fully annealed by heating the fiber to 1000 °C for a few hours. This paper is the first to demonstrate the calibration and use of SMF-28 distributed optical fiber sensors up to 1000 °C, enabled using adaptive OFDR-based signal processing.

47 OTHER INSTRUMENTATION↗