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All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

The Spatial Distribution and Mineralogical Association of Organics in the Tagish Lake and Bells Carbonaceous Chondrites

Chondritic meteorites represent some of the most primitive Solar System materials available for laboratory analysis. While the presence of simple organic molecules has been well documented in such materials [1], little is known about their spatial distribution and to what extent, if any, they exhibit specific mineralogical associations. This dichotomy arises since organic analysis typically involves solvent extraction as a preliminary step. To address these issues we have used two-step laser mass spectrometry (L 2MS) to map in situ the spatial distribution of aromatic and conjugated organics at the micron scale in freshly exposed surfaces of the Tagish Lake and Bells carbonaceous chondrites. Our specific goals are two-fold; firstly to investigate if and how abundance of organic species varies within the meteorite matrix both as an ensemble, and with respect to functional group (e.g., R-OH vs. RCH3) and between members of the same homologous series (e.g., R-H vs. R-(CH2)H). Secondly, to determine whether observed spatial variations can be related to specific mineralogical and/or physical characteristics of the host matrix. In regard to the latter we are particularly interested in the role that carbonaceous nanoglobules [2] play as reservoirs of organic matter. Such globules, which are believed to have formed by photochemical processing of organic-rich ices in the presolar cold molecular cloud or the outermost reaches of the early protosolar disk, are abundant in both the Bells and Tagish Lake chondrites and are noteworthy for having particularly high enrichments in 2H and 15N [3,4].

Clemett, S. J.↗
NASA NTRS2017

Chapter 15: Potential Surprises: Compound Extremes and Tipping Elements

The Earth system is made up of many components that interact in complex ways across a broad range of temporal and spatial scales. As a result of these interactions the behavior of the system cannot be predicted by looking at individual components in isolation. Negative feedbacks, or self-stabilizing cycles, within and between components of the Earth system can dampen changes (Ch. 2: Physical Drivers of Climate Change). However, their stabilizing effects render such feedbacks of less concern from a risk perspective than positive feedbacks, or self-reinforcing cycles. Positive feedbacks magnify both natural and anthropogenic changes. Some Earth system components, such as arctic sea ice and the polar ice sheets, may exhibit thresholds beyond which these self-reinforcing cycles can drive the component, or the entire system, into a radically different state. Although the probabilities of these state shifts may be difficult to assess, their consequences could be high, potentially exceeding anything anticipated by climate model projections for the coming century.

Kopp, R. E.↗
NASA NTRS2016

Sample Handling and Instruments for the In-Situ Exploration of Ice-Rich Planets

NASA's key science goals for the exploration of the solar system seek a better understanding of the formation and evolutionary processes that have shaped planetary bodies and emphasize the search for habitable environments. Efforts are also made to detect and quantify resources that could be used for the support of human exploration. These themes call for chemistry and physical property observations that may be best approached by in situ measurements. NASA's planetary missions have progressively evolved from remote reconnaissance to in situ exploration with the ultimate goal to return samples. This chapter focuses on the techniques, available or in development, for advanced geophysical and chemical characterization of icy bodies, especially Mars polar areas, Enceladus, Titan, Europa, and Ceres. These astrobiological targets are the objects of recent or ongoing exploration whose findings are driving the formulation of new missions that involve in situ exploration. After reviewing the overall objectives of icy body exploration (Section 9.1) we describe key techniques used for addressing these objectives from surface platforms via geophysical observations (Section 9.2) and chemical measurements (Section 9.3).

planets↗
DOE OSTI2023

Molecular Rotations, Multiscale Order, Hyperuniformity, and Signatures of Metastability during the Compression/Decompression Cycles of Amorphous Ices

We model, via large-scale molecular dynamics simulations, the isothermal compression of low-density amorphous ice (LDA) to generate high-density amorphous ice (HDA) and the corresponding decompression extending to negative pressures to recover the low-density amorphous phase (LDA HDA ). Both LDA and HDA are nearly hyperuniform and are characterized by a dynamical HBN, showing that amorphous ices are nonstatic materials and implying that nearly hyperuniformity can be accommodated in dynamical networks. In correspondence with both the LDA-to-HDA and the HDA-to-LDA HDA phase transitions, the (partial) activation of rotational degrees of freedom activates a cascade effect that induces a drastic change in the connectivity and a pervasive reorganization of the HBN topology which, ultimately, break the samples’ hyperuniform character. Key to this effect is the rapid rate at which changes occur, and not their magnitude. The inspection of structural properties from the short- to the long-range shows that signatures of metastability are present at all length-scales, hence providing further solid evidence in support of the liquid–liquid critical point scenario. LDA and LDA HDA differ in terms of HBN and structural properties, implying that they are distinct low-density glasses. Our work unveils the role of molecular rotations in the phase transitions between amorphous ices and shows how the unfreezing of rotational degrees of freedom generates a cascade effect that propagates over multiple length-scales. Our findings greatly improve our basic understanding of water and amorphous ices and can potentially impact the field of molecular network-forming materials at large.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Deep neural network for the dielectric response of insulators

In this work, we introduce a deep neural network to model in a symmetry preserving way the environmental dependence of the centers of the electronic charge. The model learns from ab initio density functional theory, wherein the electronic centers are uniquely assigned by the maximally localized Wannier functions. When combined with the deep potential model of the atomic potential energy surface, the scheme predicts the dielectric response of insulators for trajectories inaccessible to direct ab initio simulation. The scheme is nonperturbative and can capture the response of a mutating chemical environment. We demonstrate the approach by calculating the infrared spectra of liquid water at standard conditions, and of ice under extreme pressure, when it transforms from a molecular to an ionic crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Real-time streaming tomographic reconstruction with on-demand data capturing and 3D zooming to regions of interest

Complex dynamic tomographic experiments at brilliant X-ray light sources require real-time feedback on the sample changes with respect to environmental conditions, selecting representative regions of interest for high-resolution scanning, and on-demand data saving mechanisms for storing only relevant projections acquired by fast area detectors and reducing data volumes. Here the implementation details of a 3D real-time imaging monitoring instrument, with zooming to a volume of interest with easy-to-use visualization via ImageJ , a tool familiar to most beamline users, is presented. The instrument relies on optimized data flow between the detector and processing machines and is implemented on commodity computers. The instrument has been developed at beamline 2-BM of the Advanced Photon Source, where the automatic lens changing mechanism for zooming is implemented with an Optique Peter microscope. Performance tests demonstrate the ability to process more than 3 GB of projection data per second and generate real-time 3D zooming with different magnification. These new capabilities are essential for new APS Upgrade instruments such as the projection microscope under development at beamline 32-ID. The efficacy of the proposed instrument was demonstrated during an in situ tomographic experiment on ice and gas hydrate formation in porous samples.

3D zooming↗
DOE OSTI2022

Anti-Icing Coatings using Ionomer Film Layer Structuring

This research effort examined the application of Nafion polymers in alcohol solvents as an anti-ice surface coating, as a mixture with hydrophilic polymers and freezing point depressant salt systems. Co-soluble systems of Nafion, polymer and salt were applied using dip coating methods to create smooth films for frost observation over a Peltier plate thermal system in ambient laboratory conditions. Cryo-DSC was applied to examine freezing events of the Nafion-surfactant mixtures, but the sensitivity of the measurement was insufficient to determine frost behavior. Collaborations with the Fog Chamber at Sandia-Albuquerque, and in environmental SAXS measurements with CINT-LANL were requested but were not able to be performed under the research duration. Since experimental characterization of these factors is difficult to achieve directly, computational modeling was used to guide the scientific basis for property improvement. Computational modeling was performed to improve understanding of the dynamic association between ionomer side groups and added molecules and deicing salts. The polyacrylic acid in water system was identified at the start of the project as a relevant system for exploring the effect of varying counterions on the properties of fully deprotonated polyacrylic acid (PAA) in the presence of water. Simulations were modeled with four different counterions, two monovalent counterions (K+ and Na+) and two divalent counterions (Ca2+ and Mg2+). The wt% of PAA in these systems was varied from ~10 to 80 wt% PAA for temperatures from 250K to 400K. In the second set of simulations, the interpenetration of water into a dry PAA film was studied for Na+ or Ca2+ counterions for temperatures between 300K and 400K. The result of this project is a sprayable Nafion film composite which resists ice nucleation at -20 °C for periods of greater than three hours. It is composed of Nafion polymer, hydrophilic polyethylene oxide polymer and CaCl2 anti-ice crosslinker. Durability and field performance properties remain to be determined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Quantification of carbon phases in detonation soot

Soot is a powdery substance composed of solid residues that results from the incomplete combustion of hydrocarbons. Soot holds valuable information because its chemical makeup can provide answers for condensed carbon kinetics in HE detonations by quantitively identifying what carbon species remain. For carbon-rich explosives, this is particularly important because carbon kinetics is a major pathway for energy release. Current efforts have been able to qualitatively identify the carbons and confirm their presence, but we haven’t been able to successfully quantify them. For example, small angle x-ray diffraction has been fielded to qualitatively identify carbon phases as a function of time during a detonation (work by Trevor Willey and Mike Nielson). Other work (ice experiments) has focused on measuring the “effective” static cold curve equation of state (EOS) of the recovered carbon soots.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2015

Predicting the Mineral Composition of Dust Aerosols: Representing Key Processes - Part 1

Soil dust aerosols created by wind erosion are typically assigned globally uniform physical and chemical properties within Earth system models, despite known regional variations in the mineral content of the parent soil. Mineral composition of the aerosol particles is important to their interaction with climate, including shortwave absorption and radiative forcing, nucleation of cloud droplets and ice crystals, heterogeneous formation of sulfates and nitrates, and atmospheric processing of iron into bioavailable forms that increase the productivity of marine phytoplankton. Here, aerosol mineral composition is derived by extending a method that provides the composition of a wet-sieved soil. The extension accounts for measurements showing significant differences between the mineral fractions of the wetsieved soil and the emitted aerosol concentration. For example, some phyllosilicate aerosols are more prevalent at silt sizes, even though they are nearly absent at these diameters in a soil whose aggregates are dispersed by wet sieving. We calculate the emitted mass of each mineral with respect to size by accounting for the disintegration of soil aggregates during wet sieving. These aggregates are emitted during mobilization and fragmentation of the original undispersed soil that is subject to wind erosion. The emitted aggregates are carried far downwind from their parent soil. The soil mineral fractions used to calculate the aggregates also include larger particles that are suspended only in the vicinity of the source. We calculate the emitted size distribution of these particles using a normalized distribution derived from aerosol measurements. In addition, a method is proposed for mixing minerals with small impurities composed of iron oxides. These mixtures are important for transporting iron far from the dust source, because pure iron oxides are more dense and vulnerable to gravitational removal than most minerals comprising dust aerosols. A limited comparison to measurements from North Africa shows that the model extensions result in better agreement, consistent with a more extensive comparison to global observations as well as measurements of elemental composition downwind of the Sahara, as described in companion articles.

aerosols↗
NASA NTRS2017

The Geographic Distribution of Boulder Halo Craters at Mid-to-High Latitudes on Mars

Extensive evidence exists for ground ice at mid-to-high latitudes on Mars, including results from neutron spectroscopy [1-3], thermal properties [4-5], geomorphology [e.g., 6-9], and the in situ observations of Mars Phoenix [10]. This ground ice has been hypothesized to be emplaced diffusively and fill pores [11], or to have accumulated by ice and dust deposition that draped or mantled the terrain [7, 12]. These two processes are not mutually exclusive; both potentially have occurred on Mars [5]. One of the landforms found in areas where ground ice is common on Mars are boulder halo craters [e.g., 13-15] (Figure 1), which are topographically muted impact craters that are filled by ice-rich regolith. They are outlined by boulders that trace a circular outline of the original crater rim. Boulder halos generally have distinctly higher boulder densities than the surrounding background plains and have few boulders in their interiors. The mechanism of boulder halo crater formation is somewhat uncertain. Our working model is that an impact event occurs with sufficient size to excavate to a depth greater than the boulder-poor, ice-rich soils. Excavated boulders are deposited around the crater's rim and in its proximal ejecta. Quite rapidly [14], the crater becomes infilled by icy soil. Rather than being buried, boulders in the halo remain at the surface, perhaps be-cause they 'float' relative to finer-grained materials [14, 16]. Regardless of the details of this process, the life-time of boulders at the surface is much greater than the timescale needed to remove most of the craters' topography. Physical weathering of rocks must be greatly out-paced by crater infilling (the opposite of what is typical, e.g., on the Moon [17]). The rapidity of this infilling is easiest to understand if icy mantling material is deposited and accumulates, rather than simply being added by pore filling of soils. If this model is correct, boulder halos only form when they excavate rock-producing materials from beneath the upper surface. Thus, the distribution and size of craters that result in boulders halos may provide in-sight into the thickness of the ice-rich surface layer in different locations. Note that this thickness is necessarily that of the ice-rich layer at the time of impact, not at present. This study is an initial survey of boulder halo crater locations in the 50deg to 80degN and 50deg to 80degS latitude bands on Mars.

Ice↗
DOE OSTI2025

Warming Permafrost Model Intercomparision Project (WrPMIP): Pan-Arctic Perturbation Warming Simulations

Title: Warming Permafrost Model Intercomparision Project (WrPMIP): Pan-Arctic Perturbation Warming Simulations Description: WrPMIP Pan-Arctic simulations including historial baseline and two warming simulations. Models were perturbed similarly to known experimental warming trials that have been implemented across the Pan-Arctic over the last several decades. More information about the dataset can be found at the following links: https://warmingpermafrost.nau.edu/ The dataset is available at: https://esgf-node.ornl.gov/search/project=WrPMIP&mip_era=CMIP6&activity_id=WrPMIP

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2013

Bounding the Role of Black Carbon in the Climate System: a Scientific Assessment

Black carbon aerosol plays a unique and important role in Earth's climate system. Black carbon is a type of carbonaceous material with a unique combination of physical properties. This assessment provides an evaluation of black-carbon climate forcing that is comprehensive in its inclusion of all known and relevant processes and that is quantitative in providing best estimates and uncertainties of the main forcing terms: direct solar absorption; influence on liquid, mixed phase, and ice clouds; and deposition on snow and ice. These effects are calculated with climate models, but when possible, they are evaluated with both microphysical measurements and field observations. Predominant sources are combustion related, namely, fossil fuels for transportation, solid fuels for industrial and residential uses, and open burning of biomass. Total global emissions of black carbon using bottom-up inventory methods are 7500 Gg/yr in the year 2000 with an uncertainty range of 2000 to 29000. However, global atmospheric absorption attributable to black carbon is too low in many models and should be increased by a factor of almost 3. After this scaling, the best estimate for the industrial-era (1750 to 2005) direct radiative forcing of atmospheric black carbon is +0.71 W/sq m with 90% uncertainty bounds of (+0.08, +1.27)W/sq m. Total direct forcing by all black carbon sources, without subtracting the preindustrial background, is estimated as +0.88 (+0.17, +1.48) W/sq m. Direct radiative forcing alone does not capture important rapid adjustment mechanisms. A framework is described and used for quantifying climate forcings, including rapid adjustments. The best estimate of industrial-era climate forcing of black carbon through all forcing mechanisms, including clouds and cryosphere forcing, is +1.1 W/sq m with 90% uncertainty bounds of +0.17 to +2.1 W/sq m. Thus, there is a very high probability that black carbon emissions, independent of co-emitted species, have a positive forcing and warm the climate. We estimate that black carbon, with a total climate forcing of +1.1 W/sq m, is the second most important human emission in terms of its climate forcing in the present-day atmosphere; only carbon dioxide is estimated to have a greater forcing. Sources that emit black carbon also emit other short-lived species that may either cool or warm climate. Climate forcings from co-emitted species are estimated and used in the framework described herein. When the principal effects of short-lived co-emissions, including cooling agents such as sulfur dioxide, are included in net forcing, energy-related sources (fossil fuel and biofuel) have an industrial-era climate forcing of +0.22 (0.50 to +1.08) W/sq m during the first year after emission. For a few of these sources, such as diesel engines and possibly residential biofuels, warming is strong enough that eliminating all short-lived emissions from these sources would reduce net climate forcing (i.e., produce cooling). When open burning emissions, which emit high levels of organic matter, are included in the total, the best estimate of net industrial-era climate forcing by all short-lived species from black-carbon-rich sources becomes slightly negative (0.06 W/sq m with 90% uncertainty bounds of 1.45 to +1.29 W/sq m). The uncertainties in net climate forcing from black-carbon-rich sources are substantial, largely due to lack of knowledge about cloud interactions with both black carbon and co-emitted organic carbon. In prioritizing potential black-carbon mitigation actions, non-science factors, such as technical feasibility, costs, policy design, and implementation feasibility play important roles. The major sources of black carbon are presently in different stages with regard to the feasibility for near-term mitigation. This assessment, by evaluating the large number and complexity of the associated physical and radiative processes in black-carbon climate forcing, sets a baseline from which to improve future climate forcing estimates.

black carbon↗
DOE OSTI2023

Thermodynamics of diamond formation from hydrocarbon mixtures in planets

Hydrocarbon mixtures are extremely abundant in the Universe, and diamond formation from them can play a crucial role in shaping the interior structure and evolution of planets. With first-principles accuracy, we first estimate the melting line of diamond, and then reveal the nature of chemical bonding in hydrocarbons at extreme conditions. We finally establish the pressure-temperature phase boundary where it is thermodynamically possible for diamond to form from hydrocarbon mixtures with different atomic fractions of carbon. Notably, here we show a depletion zone at pressures above 200 GPa and temperatures below 3000 K-3500 K where diamond formation is thermodynamically favorable regardless of the carbon atomic fraction, due to a phase separation mechanism. The cooler condition of the interior of Neptune compared to Uranus means that the former is much more likely to contain the depletion zone. Our findings can help explain the dichotomy of the two ice giants manifested by the low luminosity of Uranus, and lead to a better understanding of (exo-)planetary formation and evolution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Evolutionary characteristics of a bimodal grain model

A bimodal model of interstellar grains consisting of silicate cores of size approximately 0.06 micron with modified ice mantles of approximately 0.1 micron and very small particles of silicate and/or graphite of size approximately 0.005 micron is followed through various stages of evolution. Starting with a distribution of core-mantle cylinders producing average wavelength dependence of polarization and extinction, changes in physical and optical characteristics of the model are studied going first into regions of dense cloud condensation and coming out at the other end of star formation into young H2 regions. Physical justification is presented to show that not only in dense clouds must the core mantle grains be larger than normal, but also in young H2 regions.

Greenberg, J. M.↗
NASA NTRS1985

Navier-Stokes computations for exotic airfoils

An efficient hyperbolic grid generator with improvements for handling sharp corners and concave surfaces is combined with an efficient and accurate Navier-Stokes flow solver. This combination is applied to some rather complex two-dimensional airfoil configurations. Steady separated flow about an iced leading edge of an airfoil is presented. Unsteady viscous separated flows past an airfoil at two angles of attack with a spoiler deployed at 60 degrees are presented and compared with experiment. The spoiler computations are performed with two different topological maps of the physical domain to the computational domain. Innovative graphical techniques for both the static and unsteady display of the flow fields are presented and discussed.

Barth, T. J.↗
NASA NTRS1990

A Review and Reflections on the Sun-Climate Connection

The field of sun-climate is beset with an extraordinary number of numerical correlations attempting to relate various periodicities of solar activity with changes in the Earth's weather and climate. Signatures representing climatological variability have been sought for cycles as short as the solar 28-day rotational period up to Milankovich periods of thousands of years, although a majority of correlations have concentrated on the 11-year sunspot and 22-year Hale double sunspot cycles. For the shorter term, parameters including temperature, pressure, winds storm tracks, rainfall, and water levels in rivers and lakes, etc. have been correlated with solar variability. For longer periods, it has been necessary to seek more indirect evidence in ice cores, tree rings, and geologic deep sea cores. Other atmospheric parameters relating to atmospheric electricity and the global electric circuit have also been correlated in similar fashion. Unfortunately, few, if any, of this wide spectrum of numerical correlations have been associated with any viable physical explanation, making most studies in the field an exercise in numerical statistics. More recently, a few suggestions for plausible coupling processes have begun to appear. These, coupled with new and stronger correlations involving selective binning of climatological data sets have injected new life and hope to this field. An overview is given of the historical past and current perspectives, to evaluate possible avenues for defining physical linking processes in the future.

Goldberg, Richard A.↗
NASA NTRS2020

Seasonality of Biological and Physical Systems as Indicators of Climate Variation and Change

Evidence-based responses to climate change by society require operational and sustained information including biophysical indicator systems that provide up-to-date measures of trends and patterns against historical baselines. Two key components linking anthropogenic climate change to impacts on socio-ecological systems are the periodic inter- and intra-annual variations in physical climate systems (seasonality) and in plant and animal life cycles (phenology). We describe a set of national indicators that reflect sub-seasonal to seasonal drivers and responses of terrestrial physical and biological systems to climate change and variability at the national scale. Proposed indicators and metrics include seasonality of surface climate conditions (e.g., frost and freeze dates and durations), seasonality of freeze/thaw in freshwater systems (e.g., timing of stream runoff and durations of lake/river ice), seasonality in ecosystem disturbances (e.g., wildfire season timing and duration), seasonality in vegetated land surfaces (e.g., green-up and brown-down of landscapes), and seasonality of organismal life-history stages (e.g., timings of bird migration). Recommended indicators have strong linkages to variable and changing climates, include abiotic and biotic responses and feedback mechanisms, and are sufficiently simple to facilitate communication to broad audiences and stakeholders interested in understanding and adapting to climate change.

Seasonality↗