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NASA NTRS1987

New developments in studies of compact X-ray binaries

Several recent developments, both observational and theoretical, on the study of X-ray binaries and the compact objects they contain are discussed. The recent discovery of the first binary periods for the globular cluster X-ray sources has stimulated a new model for their origin. As a variant of the 'standard' tidal capture origin model, this predicts an enhanced number of neutron stars in globular clusters. Long term timing studies of X-ray binaries may be consistent with many of these systems, primarily X-ray burst sources, being in fact hierarchical triple systems. Finally, the radio studies of Cyg X-3 and other X-ray binaries suggest that nonthermal processes are as important, energetically, as accretion processes in these systems.

Grindlay, Jonathan E.↗

NASA NTRS1989

On a class of nonstationary stochastic processes

A new class of nonstationary stochastic processes is introduced and some of the essential properties of its members are investigated. This class is richer than the class of stationary processes and has the potential of modeling some nonstationary time series. The relation between these newly defined processes with other important classes of nonstationary processes is investigated. Several examples of linearly correlated processes which are not stationary, periodically correlated, or harmonizable are given.

Miamee, A. G.↗

NASA NTRS2000

Reduction of Effective Acceleration to Microgravity Levels

Acceleration due to earth's gravity causes buoyancy driven convection and sedimentation in solutions. In addition. pressure gradients occur as a function of the height within a liquid column. Hence gravity effects both equilbria conditions and phase transitions as a result of hydrostatic pressure gradients. The affect of gravity on the rate of heat and man transfer in solutal processes can be particularly important in polymer processing due to the high sensitivity of polymeric materials to processing conditions. The term microgravity has been coined to describe an environment in which the affects of gravitational acceleration am greatly reduced. It may seem odd to talk in term of reducing the effects of gravitational acceleration since gravitational attraction is a basic property of matter. However, die presence of gravity on in situ processing or measurements can be negated by achieving conditions in which the laboratory, or more specifically the container of the experimental materials, a subjected to the same acceleration as the materials themselves. With regard to the laboratory reference frame, there is virtually no force on the experimental solutions. This is difficult to achieve but can be done. A short review of Newtonian physics provides an explanation on both how processes we affected by gravity and how microgravity conditions are achieved. The fact that fluids deform when subject to a force bid solids do not indicates that solids have a structure able to exert an opposing force that negates an externally applied force. Liquids deform when a force is applied, indicating that a liquid structure cannot completely negate an applied force. Just how easily a liquid resists deformation is related to its viscosity. Spaceflight provides an environment in which the laboratory reference frame i.e. the spacecraft and all the equipment therein an experiencing virtually identical forces. There is no solid foundation underneath such a laboratory, so the laboratory accelerates according to the force of gravity as do the experimental fluids within the lab. Hence, the magnitude of the form excited by the laboratory on the experimental solutions within are greatly reduced. When compared with a laboratory on the ground and averaged over time, the fluids in a spaceflight laboratory experience approximately a 10 (sup -6)decrease in acceleration relative to their laboratory reference frame hence the term microgravity.

Downey, James P.↗

NASA NTRS2017

Hawai'i and Gale Crater: A Mars Analogue Study of Igneous, Sedimentary, Weathering, and Alteration Trends in Geochemistry

Sedimentary rocks in Gale Crater on Mars indicate a varied provenance with a range of alteration and weathering [1, 2]. Geochemical trends identified in basaltic and alkalic sedimentary rocks by the Alpha Particle X-ray Spectrometer (APXS) on the Mars rover Curiosity represent a complex interplay of igneous, sedimentary, weathering, and alteration processes. Assessing the relative importance of these processes is challenging with unknown compositions for parent sediment sources and with the constraints provided by Curiosity's instruments. We therefore look to Mars analogues on Earth where higher-resolution analyses and geologic context can constrain interpretations of Gale Crater geochemical observations. We selected Maunakea (AKA Mauna Kea) and Kohala volcanoes, Hawai'i, for an analogue study because they are capped by post-shield transitional basalts and alkalic lavas (hawaiites, mugearites) with compositions similar to Gale Crater [1, 3]. Our aim was to characterize Hawaiian geochemical trends associated with igneous processes, sediment transport, weathering, and alteration. Here, we present initial results and discuss implications for selected trends observed by APXS in Gale Crater.

Berger, J. A.↗

DOE OSTI2026

On the Importance of the Convective Urca Process in 3D Simulations of a Simmering White Dwarf

Type Ia supernovae are bright thermonuclear explosions that are important to numerous areas of astronomy. However, the origins of these events are poorly understood. One proposed setting is that of a near Chandrasekhar mass white dwarf that undergoes runaway carbon burning in the core. During the thousand years leading up to the explosion, the white dwarf undergoes a simmering phase where slow carbon burning heats the core and drives convection. A poorly understood aspect of this phase is the convective Urca process, which links convection with weak nuclear reactions. We use the low Mach number code MAESTROeX to perform full 3D simulations as is required to accurately capture the turbulent convection. We present simulations with and without the A=23 convective Urca process, which have relaxed to a steady state. We characterize the effects of the convective Urca process on the neutrino losses, the nuclear energy generation, and the convective boundary. We find that the size of the convection zone is substantially reduced by the convective Urca process, though convection still extends past the Urca shell. Our findings on the structure of the convective zone and the compositional changes can be used to inform 1D stellar models that track the longer-timescale evolution.

FOS: Physical sciences↗

NASA NTRS1994

Siderophile elements and metal-silicate fractionation in the solar nebula

The most important nebular fractionation affecting the siderophile elements is the metal-silicate fractionation process and its relationship to the chondrule formation process is poorly understood. Understanding these processes is important in terms of understanding the expected compositional range for planetary building blocks. In a general way the composition of chondrites can be derived from the composition of the CI chondrites by addition or subtraction of a refractory component similar to CAI's (in some cases with a Mg2SiO4 component) and by addition or subtraction of Fe metal. Thus normalization to Fe produces the least spread in the normalized abundances of most siderophile elements relative to CI abundances. Detailed bulk chemical studies of chondrules have shown that their siderophile elements have refractory-element siderophile-element signatures (for example, Ir/Ni) that are similar to the bulk meteorites, but distinct among the different chondrite groups. This data suggests that the chondrules were not supplied to the chondrule groups from a single homogeneous source, and that each chondrite group's characteristic siderophile-element signature was established before chondrule formation. These authors make a further inference that all siderophile-lithophile-element fractionation occurred before chondrule formation, but recent discoveries and observations suggest this is not true. The discovery of the metal-rich CH meteorites, the recognition of the role of aerodynamic forces in the solar nebula, and the possible role of metal-silicate segregation during the chondrule formation process suggests that metal-silicate fractionation occurred before, during and after chondrule formation.

Newsom, H. E.↗

DOE OSTI2025

Addressing Inherent Challenges to Chemical Relithiation of Cycled End‐of‐Life Cathode Materials

Recycling end‐of‐life (EOL) lithium‐ion batteries (LIBs) is important to retain valuable resources from critical materials present in EOL battery waste. Direct recycling methods offer an opportunity to recover intact valuable cathode materials with minimal re‐processing. An important step of the direct recycling process is relithiation which is used to restore lithium content to EOL cathode materials. However, little has been done to study how preprocessing steps such as washing or binder removal may affect relithiation methods in the direct recycling process. Here, the evolution of fluorine byproducts left over from preprocessing steps during a low‐temperature chemical redox mediator relithiation process is tracked. A facile washing step is presented as a solution for mediating adverse effects of surface contamination on the chemical relithiation performance. The structure, lithium content, and electrochemical performance of relithiated EOL NMC 622 material that underwent a pre‐relithiation washing step to remove fluorine byproducts is shown to match that of pristine NMC 622. In this work, it is showed that redox mediator relithiation as a part of a direct recycling process is a promising low energy method that can be applied to EOL material with inherent surface impurities if the proper pre‐relithiation processing steps are implemented.

25 ENERGY STORAGE↗

DOE OSTI2021

The Need for Urban‐Resolving Climate Modeling Across Scales

Abstract Increasing urbanization, evolving urban landscapes, and growing populations require an accurate representation of urban areas and urban processes at microscale, regional, and global scales and their feedback across the scales. Important urban processes should be represented in climate models, and current approaches used are discussed. We discuss strategies for urban‐resolving climate research to capture the effect of climate on urban regions and the non‐linear urban processes on climate. Advancing urban‐resolving climate modeling will take us closer to capabilities that can truly capture relevant natural and human components.

Sharma, Ashish↗

DOE OSTI2022

Experimental Results for Large Particle Separation from Non-Newtonian Slurries Using Tapered Bump Arrays

Lateral displacement arrays are useful for separating particles such as blood cells and sand from carrier fluids. These arrays consist of staggered posts, which allow smaller particles to follow streamlines and larger particles to flow around the posts and migrate to one side. This migration increases the particle concentration in one direction and depletes the particle concentration in the other direction allowing particle separation to occur. Experiments were conducted to separate large particles in non-Newtonian yield stress slurries using tapered bump arrays. The non-Newtonian slurry used was composed of a bentonite kaolin blend with the inclusion of larger diameter particles. These experiments were conducted to evaluate the performance of particle separation using a tapered array of staggered posts as configured in a bump array for non-Newtonian yield stress slurries, an application that has not been explored experimentally. A theory for large particle separation was developed for slurries that exhibit Bingham or Cross rheology. The results of these experiments are described. This information could be applied in industrial settings such as separation of particles from nuclear waste slurries including those to be processed at the Hanford site, where removing large particles from waste streams is important to processing.

slurry, solids removal, deterministic lateral disp↗

NASA NTRS2000

Processes Controlling Water Vapor in the Winter Arctic Stratospheric Middleworld

Water vapor in the winter arctic stratospheric middleworld is import-an: for two reasons: (1) the arctic middleworld is a source of air for the upper Troposphere because of the generally downward motion, and thus its water vapor content helps determine upper tropospheric water, a critical part of the earth's radiation budget; and (2) under appropriate conditions, relative humidities will be large, even to the point of stratospheric cirrus cloud formation, leading to the production of active chlorine species that could destroy ozone. On a number of occasions during SOLVE, clouds were observed in the stratospheric middleworld by the DC-8 aircraft. These tended to coincide with regions of low temperatures, though some cases suggest water vapor enhancements due to troposphere-to-stratosphere transport. The goal of this work is to understand the importance of processes in and at the edge of the arctic stratospheric middleworld in determining water vapor at these levels. Specifically, is water vapor at these levels determined largely by the descent of air from above, or are clouds both within and at the edge of the stratospheric middleworld potentially important? How important is troposphere-to-stratosphere transport of air in determining stratospheric middleworld water vapor content? To this end, we will first examine the minimum saturation mixing ratios along theta/EPV tubes during the SOLVE winter and compare these with DC-8 water vapor observations. This will be a rough indicator of how high relative humidities can get, and the likelihood of cirrus cloud formation in various parts of the stratospheric middleworld. We will then examine saturation mixing ratios along both diabatic and adiabatic trajectories, comparing these values with actual aircraft water vapor observations, both in situ and remote. Finally, we will attempt to actually predict water vapor using minimum saturation mixing ratios along trajectories, cloud injection (derived from satellite imagery) along trajectories, and suitable initial conditions.

Pfister, Leonhard↗

NASA NTRS1986

Analysis of the physical atomic forces between noble gas atoms, alkali ions and halogen ions

The physical forces between atoms and molecules are important in a number of processes of practical importance, including line broadening in radiative processes, gas and crystal properties, adhesion, and thin films. The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base for the dispersion forces is developed from the literature based on evaluations with the harmonic oscillator dispersion model for higher order coefficients. The Zener model of the repulsive core is used in the context of the recent asymptotic wave functions of Handler and Smith; and an effective ionization potential within the Handler and Smith wave functions is defined to analyze the two body potential data of Waldman and Gordon, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.

Wilson, J. W.↗

DOE OSTI2020

Modeling of nitrogen fixation and polymer production in the heterotrophic diazotroph Azotobacter vinelandii DJ

Nitrogen fixation is an important metabolic process carried out by microorganisms, which converts molecular nitrogen into inorganic nitrogenous compounds such as ammonia (NH 3 ). These nitrogenous compounds are crucial for biogeochemical cycles and for the synthesis of essential biomolecules, i.e. nucleic acids, amino acids and proteins. Azotobacter vinelandii is a bacterial non-photosynthetic model organism to study aerobic nitrogen fixation (diazotrophy) and hydrogen production. Moreover, the diazotroph can produce biopolymers like alginate and polyhydroxybutyrate (PHB) that have important industrial applications. However, many metabolic processes such as partitioning of carbon and nitrogen metabolism in A. vinelandii remain unknown to date. Genome-scale metabolic models (M-models) represent reliable tools to unravel and optimize metabolic functions at genome-scale. M-models are mathematical representations that contain information about genes, reactions, metabolites and their associations. M-models can simulate optimal reaction fluxes under a wide variety of conditions using experimentally determined constraints. Here we report on the development of a M-model of the wild type bacterium A. vinelandii DJ (iDT1278) which consists of 2,003 metabolites, 2,469 reactions, and 1,278 genes. We validated the model using high-throughput phenotypic and physiological data, testing 180 carbon sources and 95 nitrogen sources. iDT1278 was able to achieve an accuracy of 89% and 91% for growth with carbon sources and nitrogen source, respectively. This comprehensive M-model will help to comprehend metabolic processes associated with nitrogen fixation, ammonium assimilation, and production of organic nitrogen in an environmentally important microorganism.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1994

Weakly ionized cosmic gas: Ionization and characterization

Since collective plasma behavior may determine important transport processes (e.g., plasma diffusion across a magnetic field) in certain cosmic environments, it is important to delineate the parameter space in which weakly ionized cosmic gases may be characterized as plasmas. In this short note, we do so. First, we use values for the ionization fraction given in the literature, wherein the ionization is generally assumed to be due primarily to ionization by cosmic rays. We also discuss an additional mechanism for ionization in such environments, namely, the photoelectric emission of electrons from cosmic dust grains in an interstellar Far Ultra Violet (FUV) radiation field. Simple estimates suggest that under certain conditions this mechanism may dominate cosmic ray ionization, and possibly also the photoionization of metal atoms by the interstellar FUV field, and thereby lead to an enhanced ionization level.

Rosenberg, M.↗

NASA NTRS2000

Monsoon-Enso Relationships: A New Paradigm

This article is partly a review and partly a new research paper on monsoon-ENSO relationship. The paper begins with a discussion of the basic relationship between the Indian monsoon and ENSO dating back to the work of Sir Gilbert Walker up to research results in more recent years. Various factors that may affect the monsoon-ENSO, relationship, including regional coupled ocean-atmosphere processes, Eurasian snow cover, land-atmosphere hydrologic feedback, intraseasonal oscillation, biennial variability and inter-decadal variations, are discussed. The extreme complex and highly nonlinear nature of the monsoon-ENSO relationship is stressed. We find that for regional impacts on the monsoon, El Nino and La Nina are far from simply mirror images of each other. These two polarities of ENSO can have strong or no impacts on monsoon anomalies depending on the strength of the intraseasonal oscillations and the phases of the inter-decadal variations. For the Asian-Australian monsoon (AAM) as a whole, the ENSO impact is effected through a east-west shift in the Walker Circulation. For rainfall anomalies over specific monsoon areas, regional processes play important roles in addition to the shift in the Walker Circulation. One of the key regional processes identified for the boreal summer monsoon is the anomalous West Pacific Anticyclone (WPA). This regional feature has similar signatures in interannual and intraseasonal time scales and appears to determine whether the monsoon-ENSO relationship is strong or weak in a given year. Another important regional feature includes a rainfall and SST dipole across the Indian Ocean, which may have strong impact on the austral summer monsoon. Results are shown indicating that monsoon surface wind forcings may induce a strong biennial signal in ENSO and that strong monsoon-ENSO coupling may translate into pronounced biennial variability in ENSO. Finally, a new paradigm is proposed for the study of monsoon variability. This paradigm provides a unified framework in which monsoon predictability, the role of regional vs. basin-scale processes, its relationship with different climate subsystems, and causes of secular changes in monsoon-ENSO relationship can be investigated.

Lau, K. M.↗

DOE OSTI2022

Organizational Principles of Hyporheic Exchange Flow and Biogeochemical Cycling in River Networks Across Scales

Hyporheic zones increase freshwater ecosystem resilience to hydrological extremes and global environmental change. However, current conceptualizations of hyporheic exchange, residence time distributions, and the associated biogeochemical cycling in streambed sediments do not always accurately explain the hydrological and biogeochemical complexity observed in streams and rivers. Specifically, existing conceptual models insufficiently represent the coupled transport and reactivity along groundwater and surface water flow paths, the role of autochthonous organic matter in streambed biogeochemical functioning, and the feedbacks between surface-subsurface ecological processes, both within and across spatial and temporal scales. While simplified approaches to these issues are justifiable and necessary for transferability, the exclusion of important hyporheic processes from our conceptualizations can lead to erroneous conclusions and inadequate understanding and management of interconnected surface water and groundwater environments. This is particularly true at the landscape scale, where the organizational principles of spatio-temporal dynamics of hyporheic exchange flow (HEF) and biogeochemical processes remain largely uncharacterized. This article seeks to identify the most important drivers and controls of HEF and biogeochemical cycling based on a comprehensive synthesis of findings from a wide range of river systems. We use these observations to test current paradigms and conceptual models, discussing the interactions of local-to-regional hydrological, geomorphological, and ecological controls of hyporheic zone functioning. This improved conceptualization of the landscape organizational principles of drivers of HEF and biogeochemical processes from reach to catchment scales will inform future river research directions and watershed management strategies.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Revealing the effect of local stresses on twin growth mechanisms in titanium using synchrotron X-ray diffraction

Deformation twinning has a significant impact on the evolution of microstructure and mechanical response in hexagonal close packed (hcp) metals. Understanding the physical mechanisms associated with twin nucleation and growth processes is important to enable the broad use of hcp metals. While both nucleation and growth are conditioned by the local stress state, few studies have quantified it in bulk deformed samples. In this study, we reveal the effects of local stresses on twin thickening using in-situ synchrotron experiments with differential aperture X-ray microscopy. High purity Ti is deformed under four-point bending to activate {1012} tensile twins. Further, 3D stress fields with a spatial resolution of 0.5μm are mapped in the vicinity of low and high macroscopic Schmid factor (MSF) twins growing inside a grain. Reconciling this experimental analysis with recent twin growth models reveals that the growth of low MSF twins is limited by the nucleation of twin growth defects in the high-purity Ti sample. While growth-inducing defect nucleation may occur in many places on the interface of the high resolved shear stress (RSS)/MSF twin, the nucleation rate of twinning disconnections for the low MSF twin is high only at the end of the twin near a stress concentration. Once nucleated, these defects easily propagate into lower RSS regions of the grain resulting in twin growth. This work highlights the importance of stress concentrations not only for twin (embryo) nucleation, but also to the growth process of twins, particularly in low MSF twins.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Liquid Sorption-Enhanced Haber–Bosch Process

The use of a liquid sorbent in a traditional Haber-Bosch process enables significant improvements in energy efficiency and potential cost savings for arguably the most important chemical process on the planet. The approach presented in this report employs an incompressible liquid sorbent that absorbs and releases ammonia (NH 3 ) under specific conditions. To achieve this, we investigate reactions of ammonia and pure phosphoric acid (H 3 PO 4 , PA), which rapidly neutralize to form an equilibrated solution of monoammonium phosphate (MAP) and diammonium phosphate (DAP) that functions as a reversible and regenerable sorbent. Through intimate contact of the gas-phase Haber-Bosch reaction mixture with this liquid absorbent, complete equilibrium uptake may be achieved in an appropriately sized separator, and facile separation occurs through the use of independent liquid and gas phases. Following depressurization and release of the ammonia product, only the incompressible fluid needs to be repressurized and returned to the reactor. This study documents proof-of-concept absorption and desorption experiments carried out in 75 mL batch reactors, predominantly charged with precise MAP and DAP mixtures that equilibrate at process-relevant temperatures and pressures. We then assemble the first thermodynamic relationships that underlie this advantaged separation strategy, validated by reactive force field (ReaxFF) interatomic potential simulations, and benchmarked with traditional separation routes via process modeling and technoeconomic analysis. The scale of energy consumption in the century-old Haber-Bosch process is massive, and the elegant liquid sorption approach reported here offers opportunities to enhance its energy efficiency for the next frontier of ammonia synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

On-line Measurement of Hydrogen Gas using Raman Spectroscopy for Process Gas Systems

Advanced reprocessing schemes such as the Zircex process are important for continued development of the nuclear fuel cycle. The hydrochlorination reaction of the Zircex process flow sheet for metallic fuels has a known off-gas stream of H 2 (g) and HCl. The flow sheet can be simplified through HCl recycling, which requires detection and quantification of any residual H 2 (g) for safety and purity. In this work, commercially available Raman spectroscopy was applied for low-level, on-line detection of H 2 (g) in process gas streams, and parameters were adjusted to optimize the H 2 (g) Raman signal. Increasing the number of scans and exposure time in the spectrometer increased the signal-to-noise ratio of the H 2 (g) Raman signal, while the gas flow rate was optimized at 2.3 L/min. The limit of detection for H 2 (g) was estimated to be 2,100 ppm H 2 (g) in an N 2 (g) background. This scoping study for the application of Raman spectroscopy for on-line measurements of H 2 (g) shows that H 2 (g) can be detected at low levels (approximately 5% of the lower explosive limit (LEL)) in flowing gas streams.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗