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NASA NTRS2016

Satellite-Surface Perspectives of Air Quality and Aerosol-Cloud Effects on the Environment: An Overview of 7-SEAS BASELInE

The objectives of 7-SEASBASELInE (Seven SouthEast Asian Studies Biomass-burning Aerosols and Stratocumulus Environment: Lifecycles and Interactions Experiment) campaigns in spring 2013-2015 were to synergize measurements from uniquely distributed ground-based networks (e.g., AERONET (AErosol RObotic NETwork)), MPLNET ( NASA Micro-Pulse Lidar Network)) and sophisticated platforms (e.g.,SMARTLabs (Surface-based Mobile Atmospheric Research and Testbed Laboratories), regional contributing instruments), along with satellite observations retrievals and regional atmospheric transport chemical models to establish a critically needed database, and to advance our understanding of biomass-burning aerosols and trace gases in Southeast Asia (SEA). We present a satellite-surface perspective of 7-SEASBASELInE and highlight scientific findings concerning: (1) regional meteorology of moisture fields conducive to the production and maintenance of low-level stratiform clouds over land; (2) atmospheric composition in a biomass-burning environment, particularly tracers-markers to serve as important indicators for assessing the state and evolution of atmospheric constituents; (3) applications of remote sensing to air quality and impact on radiative energetics, examining the effect of diurnal variability of boundary-layer height on aerosol loading; (4) aerosol hygroscopicity and ground-based cloud radar measurements in aerosol-cloud processes by advanced cloud ensemble models; and (5) implications of air quality, in terms of toxicity of nanoparticles and trace gases, to human health. This volume is the third 7-SEAS special issue (after Atmospheric Research, vol. 122, 2013; and Atmospheric Environment, vol. 78, 2013) and includes 27 papers published, with emphasis on air quality and aerosol-cloud effects on the environment. BASELInE observations of stratiform clouds over SEA are unique, such clouds are embedded in a heavy aerosol-laden environment and feature characteristically greater stability over land than over ocean, with minimal radar surface clutter at a high vertical spatial resolution. To facilitate an improved understanding of regional aerosol-cloud effects, we envision that future BASELInE-like measurement modeling needs fall into two categories: (1) efficient yet critical in-situ profiling of the boundary layer for validating remote-sensing retrievals and for initializing regional transport chemical and cloud ensemble models; and (2) fully utilizing the high observing frequencies of geostationary satellites for resolving the diurnal cycle of the boundary layerheight as it affects the loading of biomass-burning aerosols, air quality and radiative energetics.

AERONET↗

DOE OSTI2024

Precision Calcination Mechanism of CaCO 3 to High-Porosity Nanoscale CaO CO 2 Sorbent Revealed by Direct In Situ Observations

Deploying energy storage and carbon capture at scale is hindered by the substantial endothermic penalty of decomposing CaCO 3 to CaO and CO 2 , and the rapid loss of CO 2 absorption capacity by CaO sorbent particles due to sintering at the high requisite decomposition temperatures. The decomposition reaction mechanism underlying sorbent deactivation remains unclear at the atomic level and nanoscale due to past reliance on postmortem characterization methods with insufficient spatial and temporal resolution. Thus, elucidating the important CaCO 3 decomposition reaction pathway requires direct observation by time-resolved (sub-)nanoscale methods. Here, chemical and structural dynamics during the decomposition of CaCO 3 nanoparticles to nanoporous CaO particles comprising high-surface-area CaO nanocrystallites are examined. Comparing in situ transmission electron microscopy (TEM) and synchrotron X-ray diffraction experiments gives key insights into the dynamics of nanoparticle calcination, involving anisotropic CaCO 3 thermal distortion before conversion to thermally dilated energetically stable CaO crystallites. Time-resolved TEM uncovered a novel CaO formation mechanism involving heterogeneous nucleation at extended CaCO 3 defects followed by sweeping reaction front motion across the initial CaCO 3 particle. These observations clarify longstanding, yet incomplete, reaction mechanisms and kinetic models lacking accurate information about (sub-)nanoscale dynamics, while also demonstrating calcination of CaCO 3 without sintering through rapid heating and precise temperature control.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Interaction–Deletion: A Composite Energy Method for the Optimization of Molecular Systems Selectively Removing Specific Nonbonded Interactions

The complex interactions between different portions of a large molecule can be challenging to analyze through traditional electronic structure calculations. Moreover, standard methods cannot easily quantify the physical consequences of individual pairwise interactions inside a molecule. By creating a set of molecular fragments, we propose a composite energy method to explore changes in a molecule caused by removing selected nonbonded interactions between different molecular portions. Energies and forces are easily obtained with this composite approach, allowing geometry optimizations that lead to chemically meaningful structures that describe how the omitted interactions contribute to changes in the local geometrical minima. We illustrate the application of our new hybrid scheme by computing the influence of intramolecular hydrogen-bonding interactions in two small molecules: 1,6-(tG + G + TG + G + g – )-hexanediol and a cyclic analogue, cis-1,4-cyclohexanediol. The resulting structural and energetic changes are interpreted to yield key physical insights and quantify concepts such as “preparation energy” or “reorganization energy”. We demonstrate that the composite method can be extended to larger molecular systems by showing its application on a Si(100) surface model containing interactions between dissociated ammonia molecules on adjacent surface dimers. The scheme’s efficacy is also tested by applying it to systems having multiple intramolecular interactions, viz., 310-polyglycine and H+GPGG. Furthermore, the cooperative nature of intramolecular hydrogen bonds is explored by using interaction–deletion in 2-nitrobenzene-1,3-diol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Recruiting Perovskites to Degrade Toxic Trinitrotoluene

Everybody knows TNT, the most widely used explosive material and a universal measure of the destructiveness of explosions. A long history of use and extensive manufacture of toxic TNT leads to the accumulation of these materials in soil and groundwater, which is a significant concern for environmental safety and sustainability. Reliable and cost-efficient technologies for removing or detoxifying TNT from the environment are lacking. Despite the extreme urgency, this remains an outstanding challenge that often goes unnoticed. We report here that highly controlled energy release from explosive molecules can be accomplished rather easily by preparing TNT–perovskite mixtures with a tailored perovskite surface morphology at ambient conditions. These results offer new insight into understanding the sensitivity of high explosives to detonation initiation and enable many novel applications, such as new concepts in harvesting and converting chemical energy, the design of new, improved energetics with tunable characteristics, the development of powerful fuels and miniaturized detonators, and new ways for eliminating toxins from land and water.

36 MATERIALS SCIENCE↗

NASA NTRS1974

Apollo 17 lunar surface cosmic ray detector

The objectives and selected data are presented for the Apollo 17 Lunar Surface Cosmic Ray Experiment (LSCRE) for the purpose of introducing an analysis of three of the separate detectors contained within in LSCRE package. The mica detector for measuring heavy solar wind, and the lexan stack and glass detectors for measuring energetic particles in space are discussed in terms of their deployment, exposure time, calibration, and data yield. Relevant articles on solar particles, interplanetary ions, and cosmic ray nuclei are also included.

Walker, R. M.↗

NASA NTRS1988

Nature and evolution of the eclipsing millisecond binary pulsar PSR1957 + 20

A model in which a millisecond pulsar may be able to evaporate a very light companion by a particular component of its energetic radiation is applied to the recently discovered 1.6-ms pulsar PSR1957 + 20. Pulsar turn-on in the very low-mass X-ray binary follows a stage of mass transfer dominated by an evaporative wind from the surface of the companion. The wind is driven by a large MeV gamma-ray flux powered by an accretion dynamo. That source of radiation ceases when it is replaced by that from the millisecond pulsar, which has been spun up by accretion.

Kluzniak, W.↗

NASA NTRS1999

Radiation Effects: Core Project

The risks to personnel in space from the naturally occurring radiations are generally considered to be one of the most serious limitations to human space missions, as noted in two recent reports of the National Research Council/National Academy of Sciences. The Core Project of the Radiation Effects Team for the National Space Biomedical Research Institute is the consequences of radiations in space in order to develop countermeasure, both physical and pharmaceutical, to reduce the risks of cancer and other diseases associated with such exposures. During interplanetary missions, personnel in space will be exposed to galactic cosmic rays, including high-energy protons and energetic ions with atomic masses of iron or higher. In addition, solar events will produce radiation fields of high intensity for short but irregular durations. The level of intensity of these radiations is considerably higher than that on Earth's surface, and the biological risks to astronauts is consequently increased, including increased risks of carcinogenesis and other diseases. This group is examining the risk of cancers resulting from low-dose, low-dose rate exposures of model systems to photons, protons, and iron by using ground-based accelerators which are capable of producing beams of protons, iron, and other heavy ions at energies comparable to those encountered in space. They have begun the first series of experiments using a 1-GeV iron beam at the Brookhaven National Laboratory and 250-MeV protons at Loma Linda University Medical Center's proton synchrotron facility. As part of these studies, this group will be investigating the potential for the pharmaceutical, Tamoxifen, to reduce the risk of breast cancer in astronauts exposed to the level of doses and particle types expected in space. Theoretical studies are being carried out in a collaboration between scientists at NASA's Johnson Space Center and Johns Hopkins University in parallel with the experimental program have provided methods and predictions which are being used to assess the levels of risks to be encountered and to evaluate appropriate strategies for countermeasures. Although the work in this project is primarily directed toward problems associated with space travel, the problem of protracted exposures to low-levels of radiation is one of national interest in our energy and defense programs, and the results may suggest new paradigms for addressing such risks.

Dicello, John F.↗

NASA NTRS2003

Solar Terrestrial Relations Observatory (STEREO)

The solar magnetic field is constantly generated beneath the surface of the Sun by the solar dynamo. To balance this flux generation, there is constant dissipation of magnetic flux at and above the solar surface. The largest phenomenon associated with this dissipation is the Coronal Mass Ejection (CME). The Solar and Heliospheric Observatory (SOHO) has provided remarkable views of the corona and CMEs, and served to highlight how these large interplanetary disturbances can have terrestrial consequences. STEREO is the next logical step to study the physics of CME origin, propagation, and terrestrial effects. Two spacecraft with identical instrument complements will be launched on a single launch vehicle in November 2007. One spacecraft will drift ahead and the second behind the Earth at a separation rate of 22 degrees per year. Observation from these two vantage points will for the first time allow the observation of the three-dimensional structure of CMEs and the coronal structures where they originate. Each STEREO spacecraft carries a complement of 10 instruments, which include (for the first time) an extensive set of both remote sensing and in-situ instruments. The remote sensing suite is capable of imaging CMEs from the solar surface out to beyond Earth's orbit (1 AU), and in-situ instruments are able to measure distribution functions for electrons, protons, and ions over a broad energy range, from the normal thermal solar wind plasma to the most energetic solar particles. It is anticipated that these studies will ultimately lead to an increased understanding of the CME process and provide unique observations of the flow of energy from the corona to the near-Earth environment. An international research program, the International Heliophysical Year (IHY) will provide a framework for interpreting STEREO data in the context of global processes in the Sun-Earth system.

Davila, Joseph M.↗

NASA NTRS2024

Development of a Surface Water Transportation System for ISRU Operations on Mars

NASA is working to define the architecture needed for a Mars exploration campaign. Initial analysis assumptions allow for pre-deployment of essential cargo and equipment to support a crew landing, including the pre-positioning of a Mars Ascent Vehicle (MAV). This MAV is likely to represent the largest single payload that must be landed on the Mars surface. Its size would be influenced by the amount of mass that state-of-the-art Entry, Descent, and Landing (EDL) systems would be capable of placing on Mars. One possible method of increasing the usable size of the MAV without exceeding available EDL capabilities is to land the MAV without ascent propellant on board. Following such a method may necessitate a strategy to acquire sufficient ascent propellant to allow a crew to safely depart the Martian surface. This paper describes a conceptual return propellant strategy that uses a liquid transportation skid, or pallet, to be used in conjunction with a rover mobility system to transfer water across the Martian surface from a source point to an in-situ resource utilization (ISRU) plant that would use this water as a feedstock to generate oxygen and methane to enable launch of the MAV. Design considerations, concept of operations, and rover energetics will be discussed in this paper.

Fluid Structure Interface↗

NASA NTRSDate not supplied

Assessment of a Surface Water Transportation System for ISRU Operations on Mars

Fluid Structure Interface↗

DOE OSTI2023

Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear–Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics

Accurate simulations of many chemical processes require the inclusion of both nuclear quantum effects and a solvent environment. The nuclear–electronic orbital (NEO) approach, which treats electrons and select nuclei quantum mechanically on the same level, combined with a polarizable continuum model (PCM) for the solvent environment, addresses this challenge in a computationally practical manner. In this work, the NEO-PCM approach is extended beyond the IEF-PCM (integral equation formalism PCM) and C-PCM (conductor PCM) approaches to the SS(V)PE (surface and simulation of volume polarization for electrostatics) and ddCOSMO (domain decomposed conductor-like screening model) approaches. IEF-PCM, SS(V)PE, C-PCM, and ddCOSMO all exhibit similar solvation energies as well as comparable nuclear polarization within the NEO framework. The calculations show that the nuclear density does not leak out of the molecular cavity because it is much more localized than the electronic density. Finally, the polarization of quantized protons is analyzed in both continuum solvent and explicit solvent environments described by the polarizable MB-pol model, illustrating the impact of specific hydrogen-bonding interactions captured only by explicit solvation. Furthermore, these calculations highlight the relationship among solvation formalism, nuclear polarization, and energetics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2014

NuSTAR Discovery Of A Young, Energetic Pulsar Associated with the Luminous Gamma-Ray Source HESS J1640-465

We report the discovery of a 206 ms pulsar associated with the TeV gamme-ray source HESS J1640−465 using the Nuclear Spectroscopic Telescope Array (NuSTAR) X-ray observatory. PSR J1640−4631 lies within the shelltype supernova remnant (SNR) G338.3−0.0, and coincides with an X-ray point source and putative pulsar wind nebula (PWN) previously identified in XMM-Newton and Chandra images. It is spinning down rapidly with period derivative P = 9.758(44) × 10(exp −13), yielding a spin-down luminosity E = 4.4 × 10(exp 36) erg s(exp −1), characteristic age tau(sub c) if and only if P/2 P = 3350 yr, and surface dipole magnetic field strength B(sub s) = 1.4×10(exp 13) G. For the measured distance of 12 kpc to G338.3−0.0, the 0.2-10 TeV luminosity of HESS J1640−465 is 6% of the pulsar's present E. The Fermi source 1FHL J1640.5−4634 is marginally coincident with PSR J1640−4631, but we find no gamma-ray pulsations in a search using five years of Fermi Large Area Telescope (LAT) data. The pulsar energetics support an evolutionary PWN model for the broadband spectrum of HESS J1640−465, provided that the pulsar's braking index is n approximately equal to 2, and that its initial spin period was P(sub 0) approximately 15 ms.

pulsars: individual↗

NASA NTRS1999

Solar Particle Event Exposures and Local Tissue Environments in Free Space and on Martian Surface

Solar particle events (SPEs) are a concern to space missions outside Earth s geomagnetic field. The September 29, 1989 SPE is the largest ground-level event since February 23, 1956. It is an iron-rich event for which the spectra are well measured. Because ten times this event matches the ground level data of the February 1956 SPE, it is suggested that an event with ten-times the scaled spectra of the September 29, 1989 SPE be used as a worst case SPE for spacecraft design. For the worst case SPE, the input spectra were reconstructed using Nymmik's (1995) model for protons, the O and Fe ion spectra of Tylka et al. (1997) to evaluate the iron enhancement ratio, and the Solar Energetic Particle Baseline (SEPB) composition of McGuire et al. (1986) for the heavy ions. The necessary transport properties of the shielding materials and the astronaut s body tissues are evaluated using the HZETRN code. Three shield configurations (assumed to be aluminum) are considered: space suit taken as 0.3 g/sq cm, helmet/pressure vessel as 1 g/sq cm, and equipment room of 5 g/sq cm. A shelter is taken as 10 g/sq cm on the Martian surface. The effect of shielding due to the Martian atmosphere is included. The astronaut geometry is taken from the computerized anatomical man (CAM) model.

Kim, M. Y.↗

NASA NTRS1974

Interpretations of the EOLE experiment. I - Temporal variation of Eulerian quantities

The EOLE data were obtained on the basis of the interrogation of nearly 500 constant density balloons by a satellite in a 50 deg inclined orbit with an orbital time of about 100 min. The isosteric surface in which the balloons operated closely approximates the 200-mb isobaric surface. Ambient temperature and pressure were determined by instruments. Lagrangian velocities were calculated from balloon displacements between successive satellite orbits. The properties of the EOLE data are considered together with averaging schemes and data problems, time sections, and questions of hemispheric energetics.

Webster, P. J.↗

NASA NTRS1979

Earth's magnetosphere - Global problems in magnetospheric plasma physics

Magnetospheric physics is presently in a transition from the exploratory stage to one in which satellite missions and ground-based observations are planned with the specific object of achieving a global understanding and self-consistent quantitative description of the cause-and-effect relationship among the principal dynamic processes involved. Measurements turn to lower and lower energies and to higher ion mass species, in order to encompass the entire particle population, and to a broader range of the frequency spectrum of magnetic and electric field variations. In the present paper, the current status of our knowledge on magnetospheric plasma physics is reviewed, with particular reference of such fundamental advances as the discovery of layers of streaming plasma in the magnetosphere beneath its boundary surface, the identification of the terrestrial magnetosphere as a celestial source of kilometric radiation and relativistic particles, the identification of parallel electric field regions within the magnetosphere and their role in auroral particle acceleration, and the discovery of large fluxes of energetic heavy ions trapped in the magnetosphere.

Roederer, J. G.↗

NASA NTRS2000

Surface Segregation in Ternary Alloys

Surface segregation profiles of binary (Cu-Ni, Au-Ni, Cu-Au) and ternary (Cu-Au-Ni) alloys are determined via Monte Carlo-Metropolis computer simulations using the BFS method for alloys for the calculation of the energetics. The behavior of Cu or Au in Ni is contrasted with their behavior when both are present. The interaction between Cu and Au and its effect on the segregation profiles for Cu-Au-Ni alloys is discussed.

Good, Brian↗

NASA NTRS2002

Science Prospects from the STEREO Mission

The solar magnetic field is constantly generated beneath the surface of the Sun by the solar dynamo. To balance this flux generation, there is constant dissipation of magnetic flux at and above the solar surface. The largest phenomenon associated with this dissipation is the Coronal Mass Ejection (CME). The Solar and Heliospheric Observatory (SOHO) has provided remarkable views of the corona and CMEs, and served to highlight how these large interplanetary disturbances can have terrestrial consequences. STEREO is the next logical step to study the physics of CME origin, propagation, and terrestrial effects. Two spacecraft with identical instrument complements will be launched on a single launch vehicle in November 2007. One spacecraft will drift ahead and the second behind the Earth at a separation rate of 22 degrees per year. Observation from these two vantage points will for the first time allow the observation of the three-dimensional structure of CMEs and the coronal structures where they originate. Each STEREO spacecraft carries a complement of 10 instruments, which include (for the first time) an extensive set of BOTH remote sensing and in-situ instruments. The remote sensing suite is capable of imaging CMEs from the solar surface out to beyond Earth's orbit (1 AU), and in-situ instruments are able to measure distribution functions for electrons, protons, and ions over a broad energy range, from the normal thermal solar in wind plasma to the most energetic solar particles. It is anticipated that these studies will ultimately lead to an increased understanding, of the CME process and eventually to the ability to predict CME occurrence and thereby 'forecast' the condition of the near-Earth environment.

Davila, Joseph M.↗

NASA NTRS2001

The Summer 1997 Eruption at Pillan Patera on Io: Implications for Ultrabasic Lava Flow Emplacement

Galileo data and numerical modeling were used to investigate the summer 1997 eruption at Pillan Patera on Io. This event, now defined as 'Pillanian' eruption style, included a high-temperature (greater than 1600 C), possibly ultrabasic, 140-km-high plume eruption that deposited dark, orthopyroxene-rich pyroclastic material over greater than 125,000 sq km, followed by emplacement of dark flow-like material over greater than 3100 sq km to the north of the caldera. We estimate that the high-temperature, energetic episode of this eruption had a duration of 52- 167 days between May and September 1997, with peak eruption temperatures around June 28, 1997. Galileo 20 m/pixel images of part of the Pillan flow field show a widespread, rough, pitted surface that is unlike any flow surface we have seen before. We suggest that th.s surface may have resulted from (1) a fractured lava crust formed during rapid, low-viscosity lava surging, perhaps including turbulent flow emplacement; (2) disruption of the lava flow by explosive interaction with a volatile-rich substrate: or (3) a combination of 1 and 2 with or without accumulation of pyroclastic materials on the surface. Well-developed flow lobes are observed, suggesting that this is a relatively distal part of the flow field. Shadow measurements at flow margins indicate a thickness of approx. 8-10 m. We have modeled the emplacement of putative ultrabasic flows from the summer 1997 Pillan eruption using constraints from new Galileo data. Results suggest that either laminar sheet flows or turbulent channelized flows could have traveled 50-150 km on a flat. unobstructed surface, which is consistent with the estimated length of the Pillan flow field (approx. 60 km). Our modeling suggests low thermal erosion rates (less than 0.1 m/d), and that the formation of deep (greater than 20 m) erosion channels was unlikely, especially distal to the source. We calculate a volumetric flow rate of approx. 2-7 x l0(exp 3) cu m/s, which is greater than those for typical Mauna Loa/Kilauea flows but comparable to those for the (1783) Laki eruption and the inferred flow rates of the Roza flows in the Columbia River flood basalts. The differences in ultrabasic eruption styles on Earth and Io appear to be controlled by the different eruption environments: Plumes at sites of ultrabasic eruptions on Io suggest strong magma-volatile: interactions on a low-gravity body lacking an atmosphere, whereas the geology at sites of komatiite eruptions on Earth suggest mostly submarine emplacement of thick flows with a pronounced lack of subaerial explosive activity.

Williams, David A.↗