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DOE OSTI2014

Magnification bias as a novel probe for primordial magnetic fields

In this paper we investigate magnetic fields generated in the early Universe. These fields are important candidates at explaining the origin of astrophysical magnetism observed in galaxies and galaxy clusters, whose genesis is still by and large unclear. Compared to the standard inflationary power spectrum, intermediate to small scales would experience further substantial matter clustering, were a cosmological magnetic field present prior to recombination. As a consequence, the bias and redshift distribution of galaxies would also be modified. Hitherto, primordial magnetic fields (PMFs) have been tested and constrained with a number of cosmological observables, e.g. the cosmic microwave background radiation, galaxy clustering and, more recently, weak gravitational lensing. Here, we explore the constraining potential of the density fluctuation bias induced by gravitational lensing magnification onto the galaxy-galaxy angular power spectrum. Such an effect is known as magnification bias. Compared to the usual galaxy clustering approach, magnification bias helps in lifting the pathological degeneracy present amongst power spectrum normalisation and galaxy bias. This is because magnification bias cross-correlates galaxy number density fluctuations of nearby objects with weak lensing distortions of high-redshift sources. Thus, it takes advantage of the gravitational deflection of light, which is insensitive to galaxy bias but powerful in constraining the density fluctuation amplitude. To scrutinise the potentiality of this method, we adopt a deep and wide-field spectroscopic galaxy survey. We show that magnification bias does contain important information on primordial magnetism, which will be useful in combination with galaxy clustering and shear. We find we shall be able to rule out at 95.4% CL amplitudes of PMFs larger than 5 × 10{sup −4} nG for values of the PMF power spectral index n{sub B} ∼ 0.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

The large-scale environment of thermonuclear and core-collapse supernovae

ABSTRACT The new generation of wide-field time-domain surveys has made it feasible to study the clustering of supernova (SN) host galaxies in the large-scale structure (LSS) for the first time. We investigate the LSS environment of SN populations, using 106 dark matter density realisations with a resolution of ∼3.8 Mpc, constrained by the 2M+ + galaxy survey. We limit our analysis to redshift z < 0.036, using samples of 498 thermonuclear and 782 core-collapse SNe from the Zwicky Transient Facility’s Bright Transient Survey and Census of the Local Universe catalogues. We detect clustering of SNe with high significance; the observed clustering of the two SNe populations is consistent with each other. Further, the clustering of SN hosts is consistent with that of the Sloan Digital Sky Survey (SDSS) Baryon Oscillation Spectroscopic Survey DR12 spectroscopic galaxy sample in the same redshift range. Using a tidal shear classifier, we classify the LSS into voids, sheets, filaments, and knots. We find that both SNe and SDSS galaxies are predominantly found in sheets and filaments. SNe are significantly under-represented in voids and over-represented in knots compared to the volume fraction in these structures. This work opens the potential for using forthcoming wide-field deep SN surveys as a complementary LSS probe.

Astronomy & Astrophysics↗

DOE OSTI2023

Mitigation of Cosmic Rays-Induced Errors in Superconducting Quantum Processors

Environmental radioactivity and cosmic-rays have recently been identified as a source of decoherence in super-conducting quantum bits (qubits). In particular, the absorption of cosmic-ray muons and gamma rays emitted by naturally occurring radioactive isotopes in the qubit substrate leads to correlated errors in superconducting quantum processors, posing significant challenges to quantum error correction. To enable quantum computing to scale, it is therefore necessary the devel-opment of mitigation strategies to prevent, or keep under control, error bursts due to particle impacts in the chip. While most environmental radioactive sources can be effectively suppressed using dedicated shielding, cosmic-ray muons, with their high penetration capability, can only be mitigated by moving the entire facility in a deep underground laboratory. This work explores the potential for developing a novel class of quantum processors equipped with an active veto system to protect superconducting-based quantum computers from the detrimental effects of atmospheric muons. Such a device would enable the identification of an atmospheric muon interaction within the processor and veto all operations performed during the occurrence of such an interaction. By demonstrating high detection efficiency and negligible dead time, we aim to establish that the future of quantum processors can be envisioned in above-around facilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

Blind Geothermal System Exploration in Active Volcanic Environments; Multi-phase Geophysical and Geochemical Surveys in Overt and Subtle Volcanic Systems, Hawai’i and Maui

Suites of new geophysical and geochemical exploration surveys were conducted to provide evidence for geothermal resource at the Haleakala Southwest Rift Zone (HSWRZ) on Maui Island, Hawai’i. Ground-based gravity (~400 stations) coupled with heli-bourne magnetics (~1500 line kilometers) define both deep and shallow fractures/faults, while also delineating potentially widespread subsurface hydrothermal alteration on the lower flanks (below approximately 1800 feet a.s.l.). Multi-level, upward continuation calculations and 2-D gravity and magnetic modeling provide information on source depths, but lack of lithologic information leaves ambiguity in the estimates. Additionally, several well-defined gravity lows (possibly vent zones) lie coincident with magnetic highs suggesting the presence of dike intrusions at depth which may represent a potentially young source of heat. Soil CO2 fluxes were measured along transects across geophysically-defined faults and fractures as well as young cinder cones along the HSWRZ. This survey generally did not detect CO2 levels above background, with the exception of a weak anomalous flux signal over one young cinder cone. The general lack of observed CO2 flux signals on the HSWRZ is likely due to a combination of lower magmatic CO2 fluxes and relatively high biogenic surface CO2 fluxes which mix with the magmatic signal. Similar surveys at the Puna geothermal field on the Kilauea Lower East Rift Zone (KLERZ) also showed a lack of surface CO2 flux signals, however aqueous geochemistry indicated contribution of magmatic CO2 and He to shallow groundwater here. As magma has been intercepted in geothermal drilling at the Puna field, the lack of measured surface CO2 flux indicative of upflow of magmatic fluids here is likely due to effective “scrubbing” by high groundwater and a mature hydrothermal system. Dissolved inorganic carbon (DIC) concentrations, δ13C compositions and 3He/4He values were sampled at Maui from several shallow groundwater samples indicating only minor additions of magmatic CO2 and He to the groundwater system, although much less than observed near Puna. The much reduced DIC and He abundances at Maui, along with a lack of hotsprings and hydrothermal alteration, as observed near Puna, does not strongly support a deeper hydrothermal system within the HSWRZ.

15 GEOTHERMAL ENERGY↗

DOE OSTI2018

Advanced Modeling of Ions in Solutions, on Surfaces, and in Biological Environments (Final Scientific/Technical Report)

The research supported by this grant focused on modeling liquid water from basic microscopic theory and on developing advanced methodologies for molecular simulation and electronic structure calculation of large and disordered systems. Water is arguably the most important molecule on earth: without it there would be no life, as we know it. Water does not behave as a simple liquid. Understanding its unique and anomalous properties at the molecular level has been the focus of intense study during the entire last century and still is a major goal of research today. To address the problem we adopted a multipronged approach that included methodological and algorithmic developments as well as simulations of important model systems. We made progress on several key issues. (i) We implemented accurate electronic structure schemes for modeling water from quantum mechanical theory that make accessible in simulations processes driven by formation and breaking of chemical bonds. We studied in this way neat bulk water and simple solvated ions. We could understand, in particular, why hydronium, i.e. the positive water ion, diffuses faster than its negative counterpart, the hydroxyl, solving a 200-year-old ionic mystery of water, as reported in a news article featuring our study on Chemistry World, the magazine of the Royal Society of Chemistry (U.K.). (ii) Using advanced statistical mechanical techniques we studied water in the deeply undercooled regime, which may hold the clue to understanding many of the water anomalies. These conditions are currently only accessible to simulations based on empirical force fields. We found that deeply undercooled water, as described by the popular force field ST2, possesses a secondary critical point, below which it would spontaneously separate into two liquids, one of low-density (LDL) and one of high-density (HDL), much in the same way in which water and oil phase-separate at room temperature. The secondary critical point is supported indirectly by many experiments, but rapid ice nucleation has so far hindered direct observation. In related studies we gained new insight on the connection of the two metastable liquids with the two corresponding amorphous ice phases, LDA and HDA, which are observed experimentally. (iii) We developed and implemented several new algorithms for computing the electronic structure of large systems and to accelerate the calculation of electron exchange energies. We applied these methodologies to model nanomaterials, such as nanoribbons and nanoflakes, and to study water absorption and splitting on nanomaterials. (iv) We developed new local order descriptors. (v) In the last year of the project we developed a methodology based on deep neural networks to construct model interatomic potentials that can accurately reproduce ab-initio quantum mechanical simulations at the computational cost of empirical force fields. These potentials will make possible to access the size and time scales that are currently only accessible with empirical force fields without loosing the predictive power of ab-initio simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

A New Approach to Fundamental Mechanism Discovery in Polymer Upcycling

We present a new experimental methodology for detailed experimental investigations of depolymerization reactions over solid catalysts. This project aims to address a critical need in fundamental research on chemical upcycling of polymers – the lack of rapid, sensitive, isomerselective probing techniques for the detection of reaction intermediates and products. Our method combines a heterogeneous catalysis reactor for the study of multiphase (gas/polymer melt/solid) systems, coupled to a vacuum UV photoionization time-of-flight mass spectrometer. This apparatus draws on our expertise in probing complex gas-phase chemistry and enables highthroughput, detailed chemical speciation measurements of the gas phase above the catalyst, providing valuable information on the heterogeneous catalytic reactions. Using this approach, we investigated the depolymerization of high-density polyethylene (HDPE) over Ir-doped zeolite catalysts. We showed that the product distribution was dominated by low-molecular weight alkenes with terminal C=C double bonds and revealed the presence of many methyl-substituted alkenes and alkanes, suggesting extensive methyl radical chemistry. In addition, we investigated the fundamental reactivity of model oligomer molecules n-butane and isobutane over ZSM-5 zeolites. We demonstrated the first direct detection of methyl radical intermediates, confirming the key role of methyl in zeolite-catalyzed activation of alkanes. Our results show the potential of this experimental method to achieve deep insight into the complex depolymerization reactions and pave the way for detailed mechanistic studies, leading to increased fundamental understanding of key processes in chemical upcycling of polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Theoretical studies of chemical reactions related to the formation and growth of polycyclic aromatic hydrocarbons (PAH) and molecular properties of their key intermediates (Final Progress Report)

The formation mechanisms of polycyclic aromatic hydrocarbons, (PAHs) – organic molecules carrying fused benzene rings – are of great interest to scientists and engineers due to their importance in combustion chemistry and astrochemistry. On Earth, PAHs are largely produced in incomplete combustion of fossil fuel and are considered as critical precursors to unwanted soot particles leading to combustion inefficiency and causing air pollution along with detrimental health effects. Simple PAH molecules initially formed in the gas phase, are further involved in a build-up process in combustion flames leading to larger PAH, bowl-shaped nanostructures, fullerenes, and solid-phase species including carbonaceous dust, graphene particles, and soot. In deep space, PAH and their derivatives are potential key intermediates and nucleation sites leading eventually to carbonaceous nanoparticles (“interstellar grains”). Therefore, the understanding of the key processes in the synthesis of PAHs along with their precursors and their degradation mechanisms in combustion systems and in interstellar, circumstellar, and planetary atmospheric environments will provide critical insights into how complex aromatic structures, carbonaceous nanoparticles, and fullerenes are formed and destroyed. Achieving this understanding is an important step in the development of the efficient combustion processes and of the ecofriendly devices with reduced environmental pollution as well as technological strategies for the production of hydrogen and solid carbon through thermal or plasma-assisted pyrolysis of natural gas and biomass. Also, the understanding of the key processes of PAH and soot growth will help in our comprehension of chemical evolution in the universe. Detailed information on the mechanisms and reliable rate constants of the key elementary chemical reactions involved in PAH formation and destruction processes and in inception of soot particles is often missing, with the main deficiencies being the absence of temperature- and pressure-dependent rate constants for the broad range of conditions occurring in various terrestrial and interstellar processes and the lack of data on the reaction products and their branching ratios. Complementary to experimental studies, these gaps in knowledge can be filled by using quantum chemical calculations of reaction potential energy surfaces providing us with accurate energies of reaction products, intermediates, and transition states, revealing the reaction mechanism, and giving the molecular properties required to compute rate constants for relevant reaction steps and product branching ratios using the RRKM-Master Equation (ME) method. Molecular dynamics (MD) simulations can be used in cases when a reaction rate cannot be properly described by statistical theories. During the terminal renewal project period we employed these ab initio/RRKM-ME and MD approaches to complete our studies on several key reactions relevant to the formation/growth of PAH and inception of soot particles including (1) the reaction mechanism and kinetics of the resonance stabilized fulvenallenyl radical with propargyl and C 3 H 4 isomers; (2) the reaction mechanism and kinetics for the C + indene and C 2 + styrene reactions producing naphthyl or azulenyl radicals in low-temperature environments; (3) the MD study of non-equilibrium dimerization of acepyrene and coronene and its radical. The information derived from our theoretical calculations contributed to a better fundamental understanding of the reaction mechanisms and provide missing critical kinetic data to improve combustion models of hydrocarbon fuels and astrochemical models of the growth of carbonaceous molecules and particles in cold molecular clouds, circumstellar envelopes, and planetary atmospheres.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

A Perspective Around Cephalopods and Their Parasites, and Suggestions on How to Increase Knowledge in the Field

Although interest in several areas of cephalopod research has emerged over the last decades (e.g., neurobiology, aquaculture, genetics, and welfare), especially following their 2010 inclusion in the EU Directive on the use of animals for experimental purposes, knowledge regarding the parasites of cephalopods is lacking. Cephalopods can be intermediate, paratenic, or definitive hosts to a range of parasites with a wide variety of life cycle strategies. Here, we briefly review the current knowledge in cephalopod parasitological research, summarizing the main parasite groups that affect these animals. We also emphasize some topics that, in our view, should be addressed in future research, including: (i) better understanding of life cycles and transmission pathways of common cephalopod parasites; (ii) improve knowledge of all phases of the life cycle (i.e., paralarvae, juveniles, adults and senescent animals) and on species from polar deep sea regions; (iii) exploration of the potential of using cephalopod-parasite specificity to assess population boundaries of both, hosts and parasites; (iv) risk evaluation of the potential of standard aquacultural practices to result in parasite outbreaks; (v) evaluation and description of the physiological and behavioral effects of parasites on their cephalopod hosts; (vi) standardization of the methods for accurate parasite sampling and identification; (vii) implementation of the latest molecular methods to facilitate and enable research in above mentioned areas; (viii) sharing of information and samples among researchers and aquaculturists. In our view, addressing these topics would allow us to better understand complex host-parasite interactions, yield insights into cephalopod life history, and help improve the rearing and welfare of these animals in captivity.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Mathematical Modelling of Fault Reactivation Induced by Water Injection

Faults in the host rock that might exist in the vicinity of deep geological repositories for radioactive waste, constitute potential enhanced pathways for radionuclide migration. Several processes might trigger pore pressure increases in the faults leading to fault failure and induced seismicity, and increase the faults’ permeability. In this research, we developed a mathematical model to simulate fault activation during an experiment of controlled water injection in a fault at the Mont-Terri Underground Research Laboratory in Switzerland. The effects of in-situ stress, fault shear strength parameters and heterogeneity are assessed. It was shown that the above factors are critical and need to be adequately characterized in order to predict the faults’ hydro-mechanical behaviour.

58 GEOSCIENCES↗

NASA NTRS1983

Characterization of grain boundaries in silicon

Zero-bias conductance and capacitance measurements at various temperatures were used to study trapped charges and potential barrier height at the boundaries. Deep-level transient spectroscopy (DLTS) was applied to measure the density of states at the boundary. A study of photoconductivity of grain boundaries in p-type silicon demonstrated the applicability of the technique in the measurement of minority carrier recombination velocity at the grain boundary. Enhanced diffusion of phosphorus at grain boundaries in three cast polycrystalline photovoltaic materials was studied. Enhancements for the three were the same, indicating that the properties of boundaries are similar, although grown by different techniques. Grain boundaries capable of enhancing the diffusion were found always to have strong recombination activities; the phenomena could be related to dangling bonds at the boundaries. Evidence that incoherent second-order twins of (111)/(115) type are diffusion-active is presented.

Cheng, L. J.↗

NASA NTRS1985

A new very high voltage semiconductor switch

A new family of semiconductor switches using double injection techniques and compensated deep impurities is described. They have the potential to raise switching voltages a factor of 10 higher (up to 100 kV) than p-n junction devices while exhibiting extremely low (or zero) forward voltage. Several potential power switching applications are indicated.

Sundberg, G. R.↗

NASA NTRS1985

A new very high voltage semiconductor switch

Sundberg, G. R.↗

NASA NTRS1988

Preliminary performance analysis of an interplanetary navigation system using asteroid based beacons

A futuristic interplanetary navigation system using transmitters placed on selected asteroids is introduced. This network of space beacons is seen as a needed alternative to the overly burdened Deep Space Network. Covariance analyses on the potential performance of these space beacons located on a candidate constellation of eight real asteroids are initiated. Simplified analytic calculations are performed to determine limiting accuracies attainable with the network for geometric positioning. More sophisticated computer simulations are also performed to determine potential accuracies using long arcs of range and Doppler data from the beacons. The results from these computations show promise for this navigation system.

Jee, J. Rodney↗

NASA NTRS1994

Toward astrometric tracking with the infrared spatial interferometer

Infrared interferometric demonstrations with the University of California, Berkeley's infrared spatial interferometer (ISI) on Mt. Wilson explore the potential of infrared and optical astrometry for deep space tracking, reference frame development, and DSN science. Astrometric data taken and analyzed over the last five years from the ISI have shown that instrumental and atmospheric effects limit current demonstrations. The benefits of sensitivity upgrades, which were performed in 1991 and 1992, have been demonstrated by comparing point-to-point phase fluctuations for the fall 1989 and fall 1992 observing epochs. This comparison showed that point-to-point phase fluctuations due to tropospheric and quantum noise, for optimal integration times of 0.2 sec, are approaching the 0.1-cycle level needed to reliably connect the interferometric phase. The increase in sensitivity, coupled with that arising from very recent hardware upgrades, will greatly enhance phase-connection capabilities necessary for astrometry in the presence of atmospheric refractivity fluctuations. The current data set suggests that atmospheric fluctuations on Mt. Wilson during the best seeing are dominated by a low-lying component, approximately 25 m high, which may be minimized with in situ calibration in the future. During poor seeing conditions that currently prohibit the interferometric phase connection necessary for astrometry, fluctuations seem to be generated by atmospheric inhomogeneities at much higher altitudes above Mt. Wilson. Data taken over the last year suggest that the ISI will soon be able to achieve 50- to 100-nrad astrometry in a single observing session, employing current ground-based laser distance interferometer calibrations to minimize atmospheric effects.

Treuhaft, R. N.↗

NASA NTRS2004

NASA's In-Space Propulsion Technology Program: Overview and Status

NASA's In-Space Propulsion Technology Program is investing in technologies that have the potential to revolutionize the robotic exploration of deep space. For robotic exploration and science missions, increased efficiencies of future propulsion systems are critical to reduce overall life-cycle costs and, in some cases, enable missions previously considered impossible. Continued reliance on conventional chemical propulsion alone will not enable the robust exploration of deep space - the maximum theoretical efficiencies have almost been reached and they are insufficient to meet needs for many ambitious science missions currently being considered. The In-Space Propulsion Technology Program s technology portfolio includes many advanced propulsion systems. From the next generation ion propulsion system operating in the 5 - 10 kW range, to advanced cryogenic propulsion, substantial advances in spacecraft propulsion performance are anticipated. Some of the most promising technologies for achieving these goals use the environment of space itself for energy and propulsion and are generically called, 'propellantless' because they do not require onboard fuel to achieve thrust. Propellantless propulsion technologies include scientific innovations such as solar sails, electrodynamic and momentum transfer tethers, aeroassist, and aerocapture. This paper will provide an overview of both propellantless and propellant-based advanced propulsion technologies, and NASA s plans for advancing them as part of the $60M per year In-Space Propulsion Technology Program.

Johnson, Les↗

NASA NTRS2004

NASA's In-Space Propulsion Technology Program: Overview and Update

NASA's In-Space Propulsion Technology Program is investing in technologies that have the potential to revolutionize the robotic exploration of deep space. For robotic exploration and science missions, increased efficiencies of future propulsion systems are critical to reduce overall life-cycle costs and, in some cases, enable missions previously considered impossible. Continued reliance on conventional chemical propulsion alone will not enable the robust exploration of deep space - the maximum theoretical efficiencies have almost been reached and they are insufficient to meet needs for many ambitious science missions currently being considered. The In-Space Propulsion Technology Program s technology portfolio includes many advanced propulsion systems. From the next-generation ion propulsion system operating in the 5- to 10-kW range to aerocapture and solar sails, substantial advances in spacecraft propulsion performance are anticipated. Some of the most promising technologies for achieving these goals ase the environment of space itself for energy and propulsion and are generically called 'propellantless' because they do not require onboard fuel to achieve thrust. Propellantless propulsion technologies include scientific innovations such as solar sails, electrodynamic and momentum transfer tethers, aeroassist, and aerocapture. This paper will provide an overview of both propellantless and propellant-based advanced propulsion technologies, as well as NASA s plans for advancing them as part of the In-Space Propulsion Technology Program.

Johnson, Les↗

NASA NTRS2004

Development of a Multi-bus, Multi-source Reconfigurable Stirling Radioisotope Power System Test Bed

The National Aeronautics and Space Administration (NASA) has typically used Radioisotope Thermoelectric Generators (RTG) as their source of electric power for deep space missions. A more efficient and potentially more cost effective alternative to the RTG, the high efficiency 110 watt Stirling Radioisotope Generator 110 (SRG110) is being developed by the Department of Energy (DOE), Lockheed Martin (LM), Stirling Technology Company (STC) and NASA Glenn Research Center (GRC). The SRG110 consists of two Stirling convertors (Stirling Engine and Linear Alternator) in a dual-opposed configuration, and two General Purpose Heat Source (GPHS) modules. Although Stirling convertors have been successfully operated as a power source for the utility grid and as a stand-alone portable generator, demonstration of the technology required to interconnect two Stirling convertors for a spacecraft power system has not been attempted. NASA GRC is developing a Power System Test Bed (PSTB) to evaluate the performance of a Stirling convertor in an integrated electrical power system application. This paper will describe the status of the PSTB and on-going activities pertaining to the PSTB in the NASA Thermal-Energy Conversion Branch of the Power and On-Board Propulsion Technology Division.

Coleman, Anthony S.↗

NASA NTRS2004

NASA In-Space Propulsion Technology Program: Overview and Update

NASA's In-Space Propulsion Technology Program is investing in technologies that have the potential to revolutionize the robotic exploration of deep space. For robotic exploration and science missions, increased efficiencies of future propulsion systems are critical to reduce overall life-cycle costs and, in some cases, enable missions previously considered impossible. Continued reliance on conventional chemical propulsion alone will not enable the robust exploration of deep space - the maximum theoretical efficiencies have almost been reached and they are insufficient to meet needs for many ambitious science missions currently being considered. The In-Space Propulsion Technology Program's technology portfolio includes many advanced propulsion systems. From the next-generation ion propulsion system operating in the 5- to 10-kW range to aerocapture and solar sails, substantial advances in - spacecraft propulsion performance are anticipated. Some of the most promising technologies for achieving these goals use the environment of space itself for energy and propulsion and are generically called 'propellantless' because they do not require onboard fuel to achieve thrust. Propellantless propulsion technologies include scientific innovations such as solar sails, electrodynamic and momentum transfer.tethers, aeroassist and aerocapture. This paper will provide an overview of both propellantless and propellant-based advanced propulsion technologies, as well as NASA's plans for advancing them as part of the In-Space Propulsion Technology Program.

Johnson, Les↗