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NASA NTRS1985

Limits on deeply penetrating particles in the 10(17) eV cosmic ray flux

Deeply penetrating particles in the 10 to the 17th power eV cosmic ray flux were investigated. No such events were found in 8.2 x 10 to the 6th power sec of running time. Limits were set on the following: quark-matter in the primary cosmic ray flux; long-lived, weakly interacting particles produced in p-air collisions; the astrophysical neutrino flux. In particular, the neutrino flux limit at 10 to the 17th power eV implies that z, the red shift of maximum activity is 10 in the model of Hill and Schramm.

Baltrusaitis, R. M.↗

NASA NTRS2014

Desert Dust and Monsoon Rain

For centuries, inhabitants of the Indian subcontinent have know that heavy dust events brought on by strong winds occur frequently in the pre-monsoon season, before the onset of heavy rain. Yet scientists have never seriously considered the possibility that natural dust can affect monsoon rainfall. Up to now, most studies of the impacts of aerosols on Indian monsoon rainfall have focused on anthropogenic aerosols in the context of climate change. However, a few recent studies have show that aerosols from antropogenic and natural sources over the Indian subcontinent may affect the transition from break to active monsoon phases on short timescales of days to weeks. Writing in Nature Geoscience, Vinoj and colleagues describe how they have shown that desert dust aerosols over the Arabian Sea and West Asia can strenghten the summer monsoon over the Indial subcontinent in a matter of days.

monsoon↗

NASA NTRS2017

Long Duration Head Down Tilt Bed Rest and Spaceflight Effects on Neurocognitive Performance: Extent, Longevity and Neural Bases

We have recently completed a long duration head down tilt bed rest (HDBR) study in which we performed structural and functional magnetic resonance brain imaging to identify the relationships between changes in neurocognitive function and neural structural alterations in a spaceflight analog environment. We are also collecting the same measures in crewmembers prior to and following a six month International Space Station mission. We will present data demonstrating that bed rest resulted in functional mobility and balance deterioration with recovery post-HDBR. We observed numerous changes in brain structure, function, and connectivity relative to a control group which were associated with pre to post bed rest changes in sensorimotor function. For example, gray matter volume (GMv) increased in posterior parietal areas and decreased in frontal regions. GMv increases largely overlapped with fluid decreases and vice versa. Larger increases in precentral gyrus (M1)/ postcentral gyrus (S1+2) GMv and fluid decreases were associated with smaller balance decrements. Vestibular activation in the bilateral insular cortex increased with bed rest and subsequently recovered. Larger increases in vestibular activation in multiple brain regions were associated with greater decrements in balance and mobility. We found connectivity increases between left M1 with right S1+2 and the superior parietal lobule, and right vestibular cortex with the cerebellum. Decreases were observed between right Lobule VIII with right S1+2 and the supramarginal gyrus, right posterior parietal cortex (PPC) with occipital regions, and the right superior posterior fissure with right Crus I and II. Connectivity strength between left M1 and right S1+2/superior parietal lobule increased the most in individuals that exhibited the least balance impairments. In sum, we observed HDBR-related changes in measures of brain structure, function, and network connectivity, which correlated with indices of sensorimotor function. Recovery was observed post HDBR but remained incomplete at 12 days post-HDBR. Preliminary findings from our parallel ongoing flight study will be compared and contrasted with bed rest results during this presentation.

Seidler, R. D.↗

DOE OSTI2020

Cosmogenic activation of silicon

In the production of 3 H, 7 Be, and 22 Na by interactions of cosmic-ray particles with silicon can produce radioactive backgrounds in detectors used to search for rare events. Through controlled irradiation of silicon CCDs and wafers with a neutron beam that mimics the cosmic-ray neutron spectrum, followed by direct counting, we determined that the production rate from cosmic-ray neutrons at sea level is (112 ± 24) atoms/( kg day ) for 3 H, (8.1 ± 1.9) atoms/( kg day ) for 7 Be, and (43.0 ± 7.2) atoms/( kg day ) for 22 Na . Complementing these results with the current best estimates of activation cross sections for cosmic-ray particles other than neutrons, we obtain a total sea-level cosmic-ray production rate of (124 ± 25) atoms/(kg day) for 3 H, (9.4 ± 2.0) atoms/( kg day ) for 7 Be, and (49.6 ± 7.4) atoms/( kg day ) for 22 Na. These measurements will help constrain background estimates and determine the maximum time that silicon-based detectors can remain unshielded during detector fabrication before cosmogenic backgrounds impact the sensitivity of next-generation rare-event searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Perspective on Many-Body Methods for Molecular Polaritonic Systems

Recent advances in strong light–matter interactions have revealed a wealth of new physical phenomena in molecules embedded in optical cavities, including modified chemical reactivity, altered excitation spectra, and novel quantum correlations. To describe these effects from first-principles, the field of ab initio quantum electrodynamics (QED) has emerged as a compelling extension of quantum chemistry that treats electronic and photonic degrees of freedom on equal footing. In this Perspective, we review the growing landscape of many-body QED methods, including Hartree–Fock, density functional theory (QEDFT), time-dependent DFT (QED-TDDFT), configuration interaction (QED-CI), complete active space (QED-CASSCF), coupled cluster (QED-CC), quantum Monte Carlo (QED-QMC), and density matrix renormalization group (QED-DMRG), highlighting recent developments and implementations. We further explore real-time methods, gradient and Hessian formalisms, and the integration of nonadiabatic nuclear dynamics. Applications range from benchmark simulations of polaritonic chemistry to quantum simulations on emerging quantum hardware. We conclude by outlining future directions for theory development and interdisciplinary efforts at the interface of quantum chemistry, condensed matter, and quantum optics.

36 MATERIALS SCIENCE↗

DOE OSTI2022

The 2022 magneto-optics roadmap

Abstract Magneto-optical (MO) effects, viz. magnetically induced changes in light intensity or polarization upon reflection from or transmission through a magnetic sample, were discovered over a century and a half ago. Initially they played a crucially relevant role in unveiling the fundamentals of electromagnetism and quantum mechanics. A more broad-based relevance and wide-spread use of MO methods, however, remained quite limited until the 1960s due to a lack of suitable, reliable and easy-to-operate light sources. The advent of Laser technology and the availability of other novel light sources led to an enormous expansion of MO measurement techniques and applications that continues to this day (see section 1). The here-assembled roadmap article is intended to provide a meaningful survey over many of the most relevant recent developments, advances, and emerging research directions in a rather condensed form, so that readers can easily access a significant overview about this very dynamic research field. While light source technology and other experimental developments were crucial in the establishment of today’s magneto-optics, progress also relies on an ever-increasing theoretical understanding of MO effects from a quantum mechanical perspective (see section 2), as well as using electromagnetic theory and modelling approaches (see section 3) to enable quantitatively reliable predictions for ever more complex materials, metamaterials, and device geometries. The latest advances in established MO methodologies and especially the utilization of the MO Kerr effect (MOKE) are presented in sections 4 (MOKE spectroscopy), 5 (higher order MOKE effects), 6 (MOKE microscopy), 8 (high sensitivity MOKE), 9 (generalized MO ellipsometry), and 20 (Cotton–Mouton effect in two-dimensional materials). In addition, MO effects are now being investigated and utilized in spectral ranges, to which they originally seemed completely foreign, as those of synchrotron radiation x-rays (see section 14 on three-dimensional magnetic characterization and section 16 on light beams carrying orbital angular momentum) and, very recently, the terahertz (THz) regime (see section 18 on THz MOKE and section 19 on THz ellipsometry for electron paramagnetic resonance detection). Magneto-optics also demonstrates its strength in a unique way when combined with femtosecond laser pulses (see section 10 on ultrafast MOKE and section 15 on magneto-optics using x-ray free electron lasers), facilitating the very active field of time-resolved MO spectroscopy that enables investigations of phenomena like spin relaxation of non-equilibrium photoexcited carriers, transient modifications of ferromagnetic order, and photo-induced dynamic phase transitions, to name a few. Recent progress in nanoscience and nanotechnology, which is intimately linked to the achieved impressive ability to reliably fabricate materials and functional structures at the nanoscale, now enables the exploitation of strongly enhanced MO effects induced by light–matter interaction at the nanoscale (see section 12 on magnetoplasmonics and section 13 on MO metasurfaces). MO effects are also at the very heart of powerful magnetic characterization techniques like Brillouin light scattering and time-resolved pump-probe measurements for the study of spin waves (see section 7), their interactions with acoustic waves (see section 11), and ultra-sensitive magnetic field sensing applications based on nitrogen-vacancy centres in diamond (see section 17). Despite our best attempt to represent the field of magneto-optics accurately and do justice to all its novel developments and its diversity, the research area is so extensive and active that there remains great latitude in deciding what to include in an article of this sort, which in turn means that some areas might not be adequately represented here. However, we feel that the 20 sections that form this 2022 magneto-optics roadmap article, each written by experts in the field and addressing a specific subject on only two pages, provide an accurate snapshot of where this research field stands today. Correspondingly, it should act as a valuable reference point and guideline for emerging research directions in modern magneto-optics, as well as illustrate the directions this research field might take in the foreseeable future.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Prevalent root-derived phenolics drive shifts in microbial community composition and prime decomposition in forest soil

Phenolic compounds perform various functions in soil ranging from microbial substrate to toxin and form the basis of several plant-mediated processes. The aim of this study was to investigate how phenolics commonly exuded by tree roots influence soil organic matter (SOM) decomposition and interact with other labile forms of carbon (C) abundant in root exudates. Therefore, we performed a 38-day incubation experiment and assessed whether phenolic compounds (benzoic acid, caffeic acid and catechin) facilitated or inhibited SOM decomposition in a glucose-amended forest soil. Changes in decomposition, substrate use, fungal and bacterial community composition, and microbial abundance and activity were measured over time using 13 C-stable-isotope tracing, DNA-based molecular methods and enzyme assays. Our findings showed that phenolics inhibited microbial activity and abundance to varying degrees. Yet, benzoic acid was the only compound producing a substantial priming effect leading to a 21% increase in SOM decomposition, which was amplified in glucose-amended soils. This stimulation in microbial activity was associated with an increase in β-1,4-glucosidase activity and the bacterial genera Paraburkholderia and Caballeronia of the Burkholderiaceae family. Phenolics drove microbial community shifts in glucose-amended soils with negligible interactive effects. In conclusion, phenolic priming of SOM decomposition is associated with microbial community shifts and amplified in the presence of glucose. This evidence emphasizes the need for considering phenolics and interactions among root exudates as priming mechanisms in the rhizosphere and other soil environments where aromatics and phenolic compounds are abundant.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

A new approach for measuring the carbon and oxygen content of atmospherically relevant compounds and mixtures

Abstract. Due to its complexity, gas- and particle-phase organic carbon in the atmosphere is often classified by its bulk physicochemical properties. However, there is a dearth of robust, moderate-cost approaches to measure the bulk chemical composition of organic carbon in the atmosphere. This is particularly true for the degree of oxygenation, which critically affects the properties and impacts of organic carbon but for which routine measurement approaches are lacking. This gap has limited the understanding of a wide range of atmospheric components, including particulate matter, the mass of which is monitored worldwide due to its health and environmental effects but the chemical characterization of which requires relatively high capital costs and complex operation by highly trained technical personnel. In this work, we demonstrate a new approach to estimate the mass of carbon and oxygen in analytes and mixtures that relies only on robust, moderate-cost detectors designed for use with gas chromatography. Organic compounds entering a flame ionization detector were found to be converted with approximately complete efficiency to CO2, which was analyzed downstream using an infrared detector to measure the mass of carbon analyzed. The ratio of the flame ionization detector (FID) signal generated to CO2 formed (FID∕CO2) was shown to be strongly correlated (R2=0.89) to the oxygen-to-carbon ratio (O∕C) of the analyte. Furthermore, simple mixtures of analytes behaved as the weighted average of their components, indicating that this correlation extends to mixtures. These properties were also observed to correlate well with the sensitivity of the FID estimated by structure activity relationships (quantified as the relative effective carbon number). The relationships between measured FID∕CO2, analyte O∕C, and FID sensitivity allow the estimation of one property from another with <15 % error for mixtures and <20 % error for most individual analytes. The approach opens the possibility of field-deployable, autonomous measurement of the carbon and oxygen content of particulate matter using time-tested, low-maintenance detectors, though such an application would require some additional testing on complex mixtures. With some instrumental modifications, similar measurements on gas-phase species may be feasible. Moreover, the potential expansion to additional gas chromatography detectors may provide concurrent measurement of other elements (e.g., sulfur, nitrogen).

42 ENGINEERING↗

DOE OSTI2020

Numerical simulation of the divergence and optical confinement factor of a semiconductor laser with an asymmetric periodic multilayer AlGaInAs/InP waveguide

The divergence and optical confinement factor of a semiconductor laser with an asymmetric periodic (multilayer) waveguide are numerically simulated. The reasons for the choice of the given heterostructure design are explained, and the consequences of choosing other layer structures are considered. It is shown how to choose the active waveguide thickness, the active region position on the waveguide, and the multilayer waveguide grating period. (lasers)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Pressure-induced creation and annihilation of Weyl points in T d - Mo 0.5 W 0.5 Te 2 and 1 T " - Mo 0.5 W 0.5 Te 2

By means of first-principles density-functional theory calculations, we investigate the role of hydrostatic pressure in the electronic structure of the T d (Pmn2 1 ) and 1T" (Pm) phases of the Weyl semimetal Mo 0.5 W 0.5 Te 2 , which is a promising material for phase-change memory technology and superconductivity. We particularly focus on changes occurring in the distribution of the gapless Weyl points (WPs) within the 0 to 45 GPa pressure range. Here we further investigate the structural phase transition and lattice dynamics of the T d and 1T" phases within the aforementioned pressure range. Our calculations suggest that both the T d and 1T" phases of Mo 0.5 W 0.5 Te 2 host four WPs in their full Brillouin zone at zero pressure. The total number of WPs increases to 44 (36) with increasing pressure via pair creation up to 20 (15) GPa for the T d (1T") phase, and beyond this pressure pair annihilation of WPs starts occurring, leaving only 16 WPs at 45 GPa in both phases. The enthalpy versus pressure data reveal that the 1T" phase is more favorable below the critical pressure of 7.5 GPa; however, beyond this critical pressure the T d phase becomes enthalpically favorable. We also provide the calculated x-ray diffraction spectra along with the calculated Raman- and infrared-active phonon frequencies to facilitate the experimental identification of the studied phases

36 MATERIALS SCIENCE↗

DOE OSTI2021

Photonic integration of Er 3+ :Y 2 SiO 5 with thin-film lithium niobate by flip chip bonding

Rare earth ions are known as promising candidates for building quantum light-matter interface. However, tunable photonic cavity access to rare earth ions in their desired host crystal remains challenging. Here, we demonstrate the integration of erbium doped yttrium orthosilicate (Er 3+ :Y 2 SiO 5 ) with thin-film lithium niobate photonic circuit by plasma-activated direct flip chip bonding. Resonant coupling to erbium ions is realized by on-chip electro-optically tuned high Q lithium niobate micro-ring resonators. Fluorescence and absorption of erbium ions at 1536.48 nm are measured in the waveguides, while the collective ion-cavity cooperativity with micro-ring resonators is assessed to be 0.36. This work presents a versatile scheme for future rare earth ion integrated quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Technical Issues in the Comprehensive Nuclear Test Ban Treaty (CTBT) Ratification Debate: A 20 Year Retrospective

Two decades after the U.S. Senate declined in 1999 to give its consent to ratification of the Comprehensive Nuclear Test Ban Treaty (CTBT), the treaty remains in legal and political limbo. Legally, the treaty cannot enter into force without U.S. ratification. However, the Senate’s rejection does not strip the treaty of its force as an element of customary international law or alter the will of other signatories to see it enter into force. Politically, the debate over the virtues and flaws of the treaty remains as strong as ever, with some CTBT advocates pushing energetically for U.S. re-review while some opponents seek ways to “un-sign” the treaty. Meanwhile, despite the Senate’s rejection of the treaty, the United States acts in a manner consistent with its main obligations by maintaining a moratorium on explosive nuclear testing and providing financial support (as well as technical expertise) to the CTBT Organization (CTBTO)—in particular the CTBTO’s International Monitoring System (IMS). The CTBT may well remain in such limbo for a long time to come, unless some catalytic event comes along to re-shape national perceptions and priorities, one way or the other. The treaty’s future, whatever it might be, will be determined in part by how much perspectives might have changed in light of interim developments. Our purpose is to shed light on some of those developments and to assess their relevance. The 1999 ratification debate addressed a large number of issues. Rejection was driven by various policy and technical judgments. The purpose of this paper is to re-examine those technical judgments in light of what has been learned over the following two decades. On some technical matters, there was explicit recognition of extant uncertainties, as well as a conviction and hope that time would dispel them. To be doubly clear, our purpose is not to recommend a way forward on CTBT ratification. The policy judgments of 1999 and 2020 are beyond the scope of this paper. This technical re-examination proceeds as follows. It begins with a short background section to introduce the key technical matters in discussion in the U.S. ratification process. Then it moves systematically through each of those topics with a review of relevant background information, a discussion of key points in debate, an analysis of subsequent experience, and a current assessment. The historical analysis draws on many sources including the primary documents of the Congressional debate, the official article-by-article interpretation by the Department of State, and the statements of key players in the process. We also relied on key technical reports and publications by subject matter experts that have addressed in more detail many of the issues in our focus. These sources include the 2002 and 2012 reports of the National Academy of Sciences as well as publications by senior technical staff of Lawrence Livermore National Laboratory (LLNL) who were actively involved in the ratification debate, including then-Laboratory Director Bruce Tarter. We also conducted several interviews with government officials from the 1990s, past laboratory directors, and other members of the scientific community. But, except where individuals are specifically cited by name, the judgments offered here are our own and should not be attributed to any other individual or to LLNL as such.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

NASA NTRS1973

Chemistry in interstellar space

The particular characteristics of chemistry in interstellar space are determined by the unique environmental conditions involved. Interstellar matter is present at extremely low densities. Large deviations from thermodynamic equilibrium are, therefore, to be expected. A relatively intense ultraviolet radiation is present in many regions. The temperatures are in the range from 5 to 200 K. Data concerning the inhibiting effect of small activation energies in interstellar clouds are presented in a table. A summary of measured activation energies or barrier heights for exothermic exchange reactions is also provided. Problems of molecule formation are discussed, taking into account gas phase reactions and surface catalyzed processes.

Donn, B.↗

NASA NTRS1992

Aircraft operations management manual

The NASA aircraft operations program is a multifaceted, highly diverse entity that directly supports the agency mission in aeronautical research and development, space science and applications, space flight, astronaut readiness training, and related activities through research and development, program support, and mission management aircraft operations flights. Users of the program are interagency, inter-government, international, and the business community. This manual provides guidelines to establish policy for the management of NASA aircraft resources, aircraft operations, and related matters. This policy is an integral part of and must be followed when establishing field installation policy and procedures covering the management of NASA aircraft operations. Each operating location will develop appropriate local procedures that conform with the requirements of this handbook. This manual should be used in conjunction with other governing instructions, handbooks, and manuals.

Source record↗

NASA NTRS2000

Contested Ground: The Historical Debate Over NASA's Mission

This book manuscript studies in depth the development and maturation of the NASA mission from the inception of the organization until the present. This study is involved in a wide divergence of questions over roles and missions: the agency's R&D/operational activities, the decentralized/centralized approaches to management, the debate over methods of conducting business. A fundamental part of this work involves the analysis of not only how NASA has defined its role but how senior government leaders, the Congress, and society at large have viewed this matter. It is be especially useful in tracing the evolution of mission ideas in the space agency and, therefore, of great use to officials wrestling with this perennial issue.

Kay, W. D.↗

NASA NTRS1998

NASA Applications of Molecular Nanotechnology

Laboratories throughout the world are rapidly gaining atomically precise control over matter. As this control extends to an ever wider variety of materials, processes and devices, opportunities for applications relevant to NASA's missions will be created. This document surveys a number of future molecular nanotechnology capabilities of aerospace interest. Computer applications, launch vehicle improvements, and active materials appear to be of particular interest. We also list a number of applications for each of NASA's enterprises. If advanced molecular nanotechnology can be developed, almost all of NASA's endeavors will be radically improved. In particular, a sufficiently advanced molecular nanotechnology can arguably bring large scale space colonization within our grasp.

Globus, Al↗

NASA NTRS2008

Detection of Abiotic Methane in Terrestrial Continental Hydrothermal Systems: Implications for Methane on Mars

The recent detection of methane in the Martian atmosphere and the possibility that its origin could be attributed to biological activity, have highlighted the importance of understanding the mechanisms of methane formation and its usefulness as a biomarker. Much debate has centered on the source of the methane in hydrothermal fluids, whether it is formed biologically by microorganisms, diagenetically through the decomposition of sedimentary organic matter, or inorganically via reduction of CO2 at high temperatures. Ongoing research has now shown that much of the methane present in sea-floor hydrothermal systems is probably formed through inorganic CO2 reduction processes at very high temperatures (greater than 400 C). Experimental results have indicated that methane might form inorganically at temperatures lower still, however these results remain controversial. Currently, methane in continental hydrothermal systems is thought to be formed mainly through the breakdown of sedimentary organic matter and carbon isotope equilibrium between CO2 and CH4 is thought to be rarely present if at all. Based on isotopic measurements of CO2 and CH4 in two continental hydrothermal systems, we suggest that carbon isotope equilibration exists at temperatures as low as 155 C. This would indicate that methane is forming through abiotic CO2 reduction at lower temperatures than previously thought and could bolster arguments for an abiotic origin of the methane detected in the martian atmosphere.

Socki, Richard A.↗

DOE OSTI2022

Early diagenetic processes in an iron-dominated marine depositional system

The early diagenetic interplay between reactive iron, sulfur, and organic matter in the bathymetrically isolated Santa Monica Basin (SMB) sediments are investigated in this study. Here, we explore solid-phase and porewater profiles from the basin, supplemented with a transect from 71 to 907 m water depth that includes oxygenated (>60 μM O 2 ) bottom waters near the coast and oxygen-deficient waters (~4 µM O 2 ) in the basin. The geochemical data of the basin sediments are further scrutinized by means of reactive transport modeling. The results show that the basin sediments do not follow the traditional geochemical signatures of oxygen-deficient settings. A lack of dissolved sulfide accumulation and sulfurized iron persists despite the sediments being deposited under reducing conditions (without bioturbation/bioirrigation), strong organic carbon input (TOC up to 5.0 wt%), and active dissimilatory sulfate reduction. Not only did we find an exceptional enrichment in highly reactive Fe in the surface sediments (~45 % of total Fe), but the enrichment of reactive Fe, including ferrihydrite, persists downcore and coexists with high levels of dissolved Fe. The enhanced preservation of Fe oxides and lack of iron-sulfide precipitation is in part explained by detection via Mössbauer spectra of iron oxides bounded to organic matter (Fe[III]-OM coprecipitates). The modeled Fe budget shows that most of the Fe oxides in the surface sediments are internally recycled by upward diffusion and subsequent oxidation of Fe 2+ . Sulfide oxidation coupled to Fe reduction effectively precludes sulfide accumulation while enhancing build-up of dissolved Fe, fueling the Fe cycle within the first 5 cm depth. Continuous reoxidation of Fe 2+ enhances the formation of Fe(III)-OM coprecipitates, limiting the amount of reactive organic matter. In the unavailability of labile organic matter, other than within the uppermost layers, the organic-rich sediment profiles are dominated by Fe cycling that limits the production and preservation of sulfides and enhances the preservation of Fe oxides and organic carbon. Finally, this study highlights key local controls on Fe availability in marginal basins and describes an intricate biogeochemical C-Fe-S cycling in modern and possibly ancient marine systems with important implications for Fe availability in the marine realm.

58 GEOSCIENCES↗