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NASA NTRS2017

NASA's Space Launch System: Deep-Space Delivery for Smallsats

Designed for human exploration missions into deep space, NASA's Space Launch System (SLS) represents a new spaceflight infrastructure asset, enabling a wide variety of unique utilization opportunities. While primarily focused on launching the large systems needed for crewed spaceflight beyond Earth orbit, SLS also offers a game-changing capability for the deployment of small satellites to deep-space destinations, beginning with its first flight. Currently, SLS is making rapid progress toward readiness for its first launch in two years, using the initial configuration of the vehicle, which is capable of delivering 70 metric tons (t) to Low Earth Orbit (LEO). On its first flight test of the Orion spacecraft around the moon, accompanying Orion on SLS will be small-satellite secondary payloads, which will deploy in cislunar space. The deployment berths are sized for "6U" CubeSats, and on EM-1 the spacecraft will be deployed into cislunar space following Orion separate from the SLS Interim Cryogenic Propulsion Stage. Payloads in 6U class will be limited to 14 kg maximum mass. Secondary payloads on EM-1 will be launched in the Orion Stage Adapter (OSA). Payload dispensers will be mounted on specially designed brackets, each attached to the interior wall of the OSA. For the EM-1 mission, a total of fourteen brackets will be installed, allowing for thirteen payload locations. The final location will be used for mounting an avionics unit, which will include a battery and sequencer for executing the mission deployment sequence. Following the launch of EM-1, deployments of the secondary payloads will commence after sufficient separation of the Orion spacecraft to the upper stage vehicle to minimize any possible contact of the deployed CubeSats to Orion. Currently this is estimated to require approximately 4 hours. The allowed deployment window for the CubeSats will be from the time the upper stage disposal maneuvers are complete to up to 10 days after launch. The upper stage will fly past the moon at a perigee of approximately 100km, and this closest approach will occur about 5 days after launch. The limiting factor for the latest deployment time is the available power in the sequencer system. Several NASA Mission Directorates were involved in the development of programs for the competition, selection, and development of EM-1 payloads that support directorate priorities. CubeSat payloads on EM-1 will include both NASA research experiments and spacecraft developed by industry, international and potentially academia partners. The Human Exploration and Operations Mission Directorate (HEOMD) Advanced Exploration Systems (AES) Division was allocated five payload opportunities on the EM-1 mission. Near Earth Asteroid (NEA) Scout is designed to rendezvous with and characterize a candidate NEA. A solar sail, an innovation the spacecraft will demonstrated for the CubeSat class, will provide propulsion. Lunar Flashlight will use a green propellant system and will search for potential ice deposits in the moon's permanently shadowed craters. BioSentinel is a yeast radiation biosensor, planned to measure the effects of space radiation on deoxyribonucleic acid (DNA). Lunar Icecube, a collaboration with Morehead State University, will prospect for water in ice, liquid, and vapor forms as well as other lunar volatiles from a low-perigee, highly inclined lunar orbit using a compact Infrared spectrometer. Skyfire, a partnership with Lockheed Martin, is a technology demonstration mission that will perform a lunar flyby, collecting spectroscopy, and thermography data to address questions related to surface characterization, remote sensing, and site selection. NASA's Space Technology Mission Directorate (STMD) was allocated three payload opportunities on the EM-1 mission. These slots will be filled via the Centennial Challenges Program, NASA's flagship program for technology prize competitions, which directly engages the public, academia, and industry in open prize competitions to stimulate innovation. The NASA Science Mission Directorate (SMD) was allocated two payload opportunities on the EM-1 mission. The CubeSat Mission to Study Solar Particles (CuSP) payload will study the sources and acceleration mechanisms of solar and interplanetary particles in near-Earth orbit, support space weather research by determining proton radiation levels during Solar Energetic Particle (SEP) events and identifying suprathermal properties that could help predict geomagnetic storms. The LunaH-Map payload will help scientists understand the quantity of H-bearing materials in lunar cold traps (~10 km), determine the concentration of H-bearing materials with 1m depth, and constrain the vertical distribution of H-bearing materials. The final three payload opportunities for the EM-1 mission were allocated for NASA's international space agency counterparts. The flight opportunities are intended to benefit the international space agency and NASA as well as further the collective space exploration goals. ArgoMoon is sponsored by ESA/ASI and will fly along with the ICPS on its disposal trajectory to perform proximity operations with the ICPS post-disposal, take external imagery of engineering and historical significance, and perform an optical communications demonstration. EQUULEUS, sponsored by JAXA, will fly to a libration orbit around the Earth-Moon L2 point and demonstrate trajectory control techniques within the Sun-Earth- Moon region for the first time by a nano spacecraft. The mission will also contribute to the future human exploration scenario by understanding the radiation environment in geospace and deep space, characterizing the flux of impacting meteors on the far side of the moon, and demonstrating the future deep space exploration scenario using the "deep space port" at Lagrange points. OMOTENASHI, also sponsored by JAXA, will land the smallest lunar lander to date on the lunar surface to demonstrate the feasibility of the hardware for distributed cooperative exploration system. Small landers will enable multi-point exploration, which is complimentary with large-scale human exploration. Once on the lunar surface, the OMOTENASHI spacecraft will observe the radiation and soil environments of the lunar surface by active radiation measurements and soil shear measurements. Following EM-1, Space Launch System will evolve to the more-powerful Block 1B configuration, which uses a new Exploration Upper Stage to increase the vehicle's LEO payload capability from 70 t to 105 t. With that transition, the Orion Stage Adapter, which will carry the secondary payloads on EM-1, will be phased out, and a new Universal Stage Adapter will be introduced, creating opportunities for flying larger secondary payloads. This paper will provide a brief status of SLS progress toward first launch; an overview of smallsat accommodations, integration, and operations on EM-1; information about the specific payloads flying on that launch; and a discussion of future accommodations and opportunities for secondary payloads on SLS for Exploration Mission-2 and beyond.

Robinson, Kimberly F.↗
NASA NTRS2017

NASA's Space Launch System: Deep-Space Opportunities for SmallSats

Designed for human exploration missions into deep space, NASA's Space Launch System (SLS) represents a new spaceflight infrastructure asset, enabling a wide variety of unique utilization opportunities. While primarily focused on launching the large systems needed for crewed spaceflight beyond Earth orbit, SLS also offers a game-changing capability for the deployment of small satellites to deep-space destinations, beginning with its first flight. Currently, SLS is making rapid progress toward readiness for its first launch in two years, using the initial configuration of the vehicle, which is capable of delivering 70 metric tons (t) to Low Earth Orbit (LEO). On its first flight test of the Orion spacecraft around the moon, accompanying Orion on SLS will be small-satellite secondary payloads, which will deploy in cislunar space. The deployment berths are sized for "6U" CubeSats, and on EM-1 the spacecraft will be deployed into cislunar space following Orion separate from the SLS Interim Cryogenic Propulsion Stage. Payloads in 6U class will be limited to 14 kg maximum mass. Secondary payloads on EM-1 will be launched in the Orion Stage Adapter (OSA). Payload dispensers will be mounted on specially designed brackets, each attached to the interior wall of the OSA. For the EM-1 mission, a total of fourteen brackets will be installed, allowing for thirteen payload locations. The final location will be used for mounting an avionics unit, which will include a battery and sequencer for executing the mission deployment sequence. Following the launch of EM-1, deployments of the secondary payloads will commence after sufficient separation of the Orion spacecraft to the upper stage vehicle to minimize any possible contact of the deployed cubesats to Orion. Currently this is estimated to require approximately 4 hours. The allowed deployment window for the cubesats will be from the time the upper stage disposal maneuvers are complete to up to 10 days after launch. The upper stage will fly past the moon at a perigee of approximately 100km, and this closest approach will occur about 5 days after launch. The limiting factor for the latest deployment time is the available power in the sequencer system. Several NASA Mission Directorates were involved in the development of programs for the competition, selection, and development of EM-1 payloads that support directorate priorities. CubeSat payloads on EM-1 will include both NASA research experiments and spacecraft developed by industry, international and potentially academia partners. The Human Exploration and Operations Mission Directorate (HEOMD) Advanced Exploration Systems (AES) Division was allocated five payload opportunities on the EM-1 mission. Near Earth Asteroid (NEA) Scout is designed to rendezvous with and characterize a candidate NEA. A solar sail, an innovation the spacecraft will demonstrated for the CubeSat class, will provide propulsion. Lunar Flashlight will use a green propellant system and will search for potential ice deposits in the moon's permanently shadowed craters. BioSentinel is a yeast radiation biosensor, planned to measure the effects of space radiation on deoxyribonucleic acid (DNA). Lunar Icecube, a collaboration with Morehead State University, will prospect for water in ice, liquid, and vapor forms as well as other lunar volatiles from a low-perigee, highly inclined lunar orbit using a compact Infrared spectrometer. Skyfire, a partnership with Lockheed Martin, is a technology demonstration mission that will perform a lunar flyby, collecting spectroscopy, and thermography data to address questions related to surface characterization, remote sensing, and site selection. NASA's Space Technology Mission Directorate (STMD) was allocated three payload opportunities on the EM-1 mission. These slots will be filled via the 2 Centennial Challenges Program, NASA's flagship program for technology prize competitions, which directly engages the public, academia, and industry in open prize competitions to stimulate innovation. The NASA Science Mission Directorate (SMD) was allocated two payload opportunities on the EM-1 mission. The CubeSat Mission to Study Solar Particles (CuSP) payload will study the sources and acceleration mechanisms of solar and interplanetary particles in near-Earth orbit, support space weather research by determining proton radiation levels during Solar Energetic Particle (SEP) events and identifying suprathermal properties that could help predict geomagnetic storms. The LunaH-Map payload will help scientists understand the quantity of H-bearing materials in lunar cold traps (~10 km), determine the concentration of H-bearing materials with 1m depth, and constrain the vertical distribution of H-bearing materials. The final three payload opportunities for the EM-1 mission were allocated for NASA's international space agency counterparts. The flight opportunities are intended to benefit the international space agency and NASA as well as further the collective space exploration goals. ArgoMoon is sponsored by ESA/ASI and will fly along with the ICPS on its disposal trajectory to perform proximity operations with the ICPS post-disposal, take external imagery of engineering and historical significance, and perform an optical communications demonstration. EQUULEUS, sponsored by JAXA, will fly to a libration orbit around the Earth-Moon L2 point and demonstrate trajectory control techniques within the Sun-Earth-Moon region for the first time by a nano spacecraft. The mission will also contribute to the future human exploration scenario by understanding the radiation environment in geospace and deep space, characterizing the flux of impacting meteors on the far side of the moon, and demonstrating the future deep space exploration scenario using the "deep space port" at Lagrange points. OMOTENASHI, also sponsored by JAXA, will land the smallest lunar lander to date on the lunar surface to demonstrate the feasibility of the hardware for distributed cooperative exploration system. Small landers will enable multi-point exploration, which is complimentary with large-scale human exploration. Once on the lunar surface, the OMOTENASHI spacecraft will observe the radiation and soil environments of the lunar surface by active radiation measurements and soil shear measurements. Following EM-1, Space Launch System will evolve to the more-powerful Block 1B configuration, which uses a new Exploration Upper Stage to increase the vehicle's LEO payload capability from 70 t to 105 t. With that transition, the Orion Stage Adapter, which will carry the secondary payloads on EM-1, will be phased out, and a new Universal Stage Adapter will be introduced, creating opportunities for flying larger secondary payloads. This paper will provide a brief status of SLS progress toward first launch; an overview of smallsat accommodations, integration, and operations on EM-1; information about the specific payloads flying on that launch; and a discussion of future accommodations and opportunities for secondary payloads on SLS for Exploration Mission-2 and beyond.

Robinson, Kimberly F.↗
DOE OSTI2026

Hydrogen defects in LaBi 2 O 4 X (X = Cl, Br, and I) Sillén oxyhalide phases and their impacts on ionic transport

Sillén oxyhalides have recently emerged as promising materials for both photocatalytic and ionic transport applications, yet the role of likely-ubiquitous hydrogen-related defects in these layered compounds remains largely unexplored. Here, we employ first-principles defect calculations to investigate incorporation energetics for hydrogen- and oxygen-related defects, as well as their migration barriers in LaBi 2 O 4 X (X = Cl, Br, I) phases. We find that hydrogen interstitials, particularly protonic species (H i + ), are readily accommodated within the open Bi–O layers. Protons compete with oxygen vacancy donors (V O 2+ ) and charge-compensate with oxygen interstitial acceptors (O i 2− ). By linking hydrogen defect formation to water- and oxygen-related redox equilibria, we reveal that V O 2+ facilitates H i + incorporation, while O i 2− promotes interstitial hydroxide formation, establishing a direct connection between proton and oxide-ion transport. Calculated migration barriers indicate that ionic diffusion is confined to Bi–O layers with low barriers of 0.20–0.25 eV for H i + and 0.14–0.25 eV for V O 2+ , suggesting that the materials contain intrinsic pathways for mixed ionic conduction. These results provide a microscopic picture of hydrogen behavior in Sillén oxyhalides and point to design strategies for integrating protonic and oxide-ion transport in layered oxyhalide electrolytes. Band-edge alignment analysis shows that LaBi 2 O 4 I provides the optimal combination of hydrogen solubility, oxygen defect stability, and mixed ionic conductivity, highlighting its potential for low-temperature electrochemical and energy-conversion applications. Overall, this work establishes the defect-driven origin of hydrogen transport in Sillén oxyhalides and expands their applicability beyond photocatalysis to mixed ionic conduction and hydrogen electrochemistry.

Energy - Conversion↗
DOE OSTI2023

Thermokinetics of point defects in α-Fe 2 O 3

Abstract Point defect formation and migration in oxides governs a wide range of phenomena from corrosion kinetics and radiation damage evolution to electronic properties. In this study, we examine the thermodynamics and kinetics of anion and cation point defects using density functional theory in hematite ( α -Fe 2 O 3 ), an important iron oxide highly relevant in both corrosion of steels and water-splitting applications. These calculations indicate that the migration barriers for point defects can vary significantly with charge state, particularly for cation interstitials. Additionally, we find multiple possible migration pathways for many of the point defects in this material, related to the low symmetry of the corundum crystal structure. The possible percolation paths are examined, using the barriers to determine the magnitude and anisotropy of long-range diffusion. Our findings suggest highly anisotropic mass transport in hematite, favoring diffusion along the c -axis of the crystal. In addition, we have considered the point defect formation energetics using the largest Fe 2 O 3 supercell reported to date.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hot Electron Scaling and Energy Coupling In Nonlinear Laser Plasma Interactions

Energy conversion from high power lasers to energetic hot electrons is a fundamental phenomenon in laser-plasma interactions. At laser intensities above a few times 10 14 W/cm 2 , nonlinear laser-plasma interactions lead to the generation of hot electrons with a broad energy distribution at typical temperatures of 10’s – 100’s kilo-electron-volt (keV). The fraction of laser energy transferred to hot electrons, their energy distribution and energy coupling efficiency to the targets are strongly affected by the laser intensity, wavelength and the plasma condition. Most investigations to date that are related to the fusion of high-energy-density laboratory plasmas (HEDLP) are carried out with relatively moderate laser intensity and lower laser wavelength to minimize hot electron generation, as electron preheating can degrade the fuel assembly. An alternative fusion scheme known as shock ignition (SI) has been proposed, requiring a high intensity spike pulse at the end of a fuel assembly phase to generate a strong shock to ignite the fuel. An initial shock pressure of 0.3 Gbar is required for ignition-scale targets using the SI scheme, requiring a relatively high on-target laser intensity of 5-10X10 15 W/cm 2 for the spike pulse. At such intensities, copious hot electrons can be produced by laser-plasma-instabilities (LPI), e.g., Stimulated Raman Scattering (SRS) and Two-Plasmon Decay (TPD). While very energetic electrons (>200 keV) could preheat the fuel, electrons with moderate energies may actually be beneficial for the SI scheme. Electrons in the 50-100 keV range can be stopped in the compressed high-density outer ablator layer leading to an increase in the ignitor shock strength and therefore enhancing overall efficiency in the SI scheme. Considering this importance of total energy and temperature of hot electrons, it is necessary to understand the LPI in the SI high intensity regime. Characterizing the hot electron source and energy coupling is key to investigating the viability of the SI concept. The overall goal of the HEDLP award was to perform a detailed study of the scaling of hot electron generation and energy coupling on high power laser systems, with intensity, wavelength, and target ablator material relevant to the nonlinear laser-plasma interaction at SI relevant conditions. This was a collaborative project between the Center for Energy Research at the University of California, San Diego (UCSD) and General Atomics. The experiment was performed at the Omega Laser Facility at the Laboratory for Laser Energetics (LLE) in the University of Rochester. Specific objectives of the work were to: understand the basic physics of laser-plasma interactions and instabilities at high laser intensities (up to 10 17 W/cm 2 ) and the effects of low-Z ablator materials and laser wavelengths (IR pulse at 1.054 µm versus UV pulse at 0.351 µm) and intensity scaling, fully characterize the resultant hot electron energy distribution, validate hot electron energy deposition via collisional and kinetic processes in the target and the induced shocks in support of electron-assisted SI concept.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Molecular simulation and artificial intelligence for the circular economy of bioenergy and bioproducts

The concept of the circular bioeconomy is a carbon neutral, sustainable system with zero waste. One vision for such an economy is based upon lignocellulosic biomass. This lignocellulosic circular bioeconomy requires CO 2 absorption from biomass growth and the efficient deconstruction of recalcitrant biomass into solubilized and fractionated biopolymers, which are then used as precursors for the sustainable production of high-quality liquid fuels, chemical bioproducts, and bio-based materials. Here, in this study, we summarize the roles that molecular dynamics (MD) simulations and machine learning (ML) are playing in overcoming several fundamental challenges hindering the adoption of a circular bioeconomy. Specifically, we discuss the role of MD and ML/AI in overcoming lignocellulose recalcitrance by designing biomass pretreatment methods to efficiently produce solubilized cellulose/lignin/hemicellulose and of that in improving energy-intensive manufacturing of biomass-based materials and their structural and mechanical properties. Quantum mechanical methods and MD simulations, in addition to offering a mechanistic understanding of biomass deconstruction and biomaterials design, can provide meaningful structural, energetics, and physiochemical properties as inputs to train AI/ML models. The ML models can guide the experimental prioritization of materials/solvents and process parameters that significantly accelerate the development of biofuel and biomaterial components of the circular bioeconomy.

Smith, Jeremy C. [Oak Ridge National Laboratory (O↗
NASA NTRS1972

Neutrons produced by known energies of ions abundant in space

Particle accelerator radiation measurements are applied to the problem of calculating biological dose from radiation produced in the walls of a spacecraft by various ions in space. Neutrons, one of the products of the interactions of energetic ions with matter, are usually quite penetrating and have large values of Q.F. or R.B.E. Ions of helium, boron, carbon, nitrogen, and oxygen were accelerated and directed onto target materials of copper or tantalum. The secondary neutron production was determined. Studies were made of the angular distribution and an inferred neutron spectrum was calculated from activities of threshold reaction detectors.

Wadman, W. W., III↗
NASA NTRS1977

Evaluation of energetic particle effects on BUV data and atmospheric ozone

To aid investigations of energetic particle effects on the backscattered ultraviolet (BUV) instrumentation aboard Nimbus 4, solar proton events characterized as polar cap absorption events occurring in the period April 1970 to April 1976 were summarized. Energetic particle effects on total ozone above the 4 mb pressure level measured by Nimbus 4 were analyzed. Proceedings of a workshop meeting of operation aurorozone are included as background material for possible effects of bremsstrahlung on atmospheric ozone.

Herman, J. R.↗
NASA NTRS2002

Carbon-Based Ion Optics Development at NASA GRC

With recent success of the NSTAR ion thruster on Deep Space 1, there is continued interest in long term, high propellant throughput thrusters to perform energetic missions. This requires flight qualified thrusters that can operate for long periods at high beam density, without degradation in performance resulting from sputter induced grid erosion. Carbon-based materials have shown nearly an order of magnitude improvement in sputter erosion resistance over molybdenum. NASA Glenn Research Center (GRC) has been active over the past several years pursuing carbon-based grid development. In 1995, NASA GRC sponsored work performed by the Jet Propulsion Laboratory to fabricate carbon/carbon composite grids using a machined panel approach. In 1999, a contract was initiated with a commercial vendor to produce carbon/carbon composite grids using a chemical vapor infiltration process. In 2001, NASA GRC purchased pyrolytic carbon grids from a commercial vendor. More recently, a multi-year contract was initiated with North Carolina A&T to develop carbon/carbon composite grids using a resin injection process. The following paper gives a brief overview of these four programs.

Haag, Thomas↗
NASA NTRS2011

Latest Progress on the Gamma-Ray Imager/Polarimeter for Solar Flares (GRIPS)

We present the latest progress on building the balloon-borne Gamma-Ray Imager/Polarimeter for Solar flares (GRIPS) instrument, including testing and calibration of the detectors and development of the imaging and aspect systems. A continental-US test flight is slated for fall 2012. GRIPS will provide a near-optimal combination of high-resolution imaging, spectroscopy, and polarimetry of solar-flare gamma-ray/hard X-ray emissions from approx.20. keV to > approx.10 MeV. The spectrometer/polarimeter consists of sixteen 3D position-sensitive germanium detectors (3D-GeDs), where each energy deposition is individually recorded with an energy resolution of a few keV FWHM and a spatial resolution to within <0.1 cu mm. Imaging is accomplished by a single multi-pitch rotating modulator (MPRM), a 2.5-cm thick tungsten-alloy grid with pitches that range quasi-continuously from 1 to 13 mm. With the MPRM situated 8 meters from the spectrometer, this instrument will provide excellent image quality and unparalleled angular resolution at gamma-ray energies (12.5 arcsec FWHM), sufficient to separate the 2.2 MeV footpoint sources for almost all flares. Polarimetry is accomplished by analyzing the anisotropy of reconstructed Compton scattering in the 3D-GeDs (i.e. as an active scatterer), with an estimated minimum detectable polarization of a few percent at 150-650 keV in an X-class flare. GRIPS will address questions relevant to particle acceleration and energy release that ha-.e been raised by recent solar flare observations, such as: What causes the spatial separation between energetic electron producing hard X-rays and energetic ions producing gamma-ray lines? How anisotropic are the accelerated electrons, and why do relativistic electron dominate in the corona? How does the composition of accelerated and ambient material vary with space and time, and why?

Shih, Albert Y.↗
NASA NTRS2017

Pulsed-Laser Irradiation Space Weathering Of A Carbonaceous Chondrite

Grains on the surfaces of airless bodies experience irradiation from solar energetic particles and melting, vaporization and recondensation processes associated with micrometeorite impacts. Collectively, these processes are known as space weathering and they affect the spectral properties, composition, and microstructure of material on the surfaces of airless bodies, e.g. Recent efforts have focused on space weathering of carbonaceous materials which will be critical for interpreting results from the OSIRIS-REx and Hayabusa2 missions targeting primitive, organic-rich asteroids. In addition to returned sample analyses, space weathering processes are quantified through laboratory experiments. For example, the short-duration thermal pulse from hypervelocity micrometeorite impacts have been simulated using pulsed-laser irradiation of target material e.g. Recent work however, has shown that pulsed-laser irradiation has variable effects on the spectral properties and microstructure of carbonaceous chondrite samples. Here we investigate the spectral characteristics of pulsed-laser irradiated CM2 carbonaceous chondrite, Murchison, including the vaporized component. We also report the chemical and structural characteristics of specific mineral phases within the meteorite as a result of pulsed-laser irradiation.

Thompson, M. S.↗
NASA NTRS1978

Compressor seal rub energetics study

The rub mechanics of compressor abradable blade tip seals at simulated engine conditions were investigated. Twelve statistically planned, instrumented rub tests were conducted with titanium blades and Feltmetal fibermetal rubstrips. The tests were conducted with single stationary blades rubbing against seal material bonded to rotating test disks. The instantaneous rub torque, speed, incursion rate and blade temperatures were continuously measured and recorded. Basic rub parameters (incursion rate, rub depth, abradable density, blade thickness and rub velocity) were varied to determine the effects on rub energy and heat split between the blade, rubstrip surface and rub debris. The test data was reduced, energies were determined and statistical analyses were completed to determine the primary and interactive effects. Wear surface morphology, profile measurements and metallographic analysis were used to determine wear, glazing, melting and material transfer. The rub energies for these tests were most significantly affected by the incursion rate while rub velocity and blade thickness were of secondary importance. The ratios of blade wear to seal wear were representative of those experienced in engine operation of these seal system materials.

Laverty, W. F.↗
NASA NTRS1994

Interstellar Ice and Dust: The Feedstock of the Solar System

Studying the chemical and isotopic composition of interstellar ice and dust provides insight into the composition and chemical history of the solid bodies in the solar nebula and the nature of the material subsequently brought into the inner part of the solar system by comets and meteorites. It is now possible to probe the composition of these microscopic interstellar particles (some hundreds of light years away), thanks to substantial progress in two areas: astronomical spectroscopic techniques in the middle-infrared, the spectral region most diagnostic of composition; and laboratory simulations which realistically reproduce the critical conditions in various interstellar environments. High quality infrared spectra of many different astronomical sources, some associated with dark molecular clouds, and others in the diffuse interstellar medium (DISM) are now available. What comparisons of these spectra with laboratory spectra tell us about the complex organic components of these materials is the subject of this talk. Most interstellar material is concentrated in large molecular clouds where simple molecules are formed by gas phase and dust grain surface reactions. Gaseous species (except H2) striking the cold (10K) dust will stick, forming an icy grain mantle. This accretion, coupled with energetic particle bombardment and UV photolysis, will produce a complex chemical mixture containing volatile, non-volatile, and isotopically fractionated species. One can compare spectra of the diffuse and dense interstellar medium with the spectra of analogs produced in the laboratory under conditions which mimic those in these different environments. In this way one can determine the composition and abundances of the major constituents present and place general constraints on the types and relative abundances of organics coating the grains. Ices in dense clouds contain H2O, CH3OH, CO, perhaps some NH3 and H2CO, as well as nitriles and ketones or esters. There is some evidence that the later, more complex species, are also present on the grains in the DISM. The evidence for these materials, in addition to carbon rich materials such as amorphous carbon, microdiamonds, and polycyclic aromatic hydrocarbons will be reviewed and the possible connection with meteoritic organics will be discussed.

Allamandola, L. J.↗
NASA NTRS1995

Astronomical Problems and Laboratory Solutions

Studying the chemical and isotopic composition of interstellar ice and dust provides insight into the composition and chemical history of the solid bodies in the solar nebula and the nature of the material subsequently brought into the inner part of the solar system by comets and meteorites. It is now possible to probe the composition of these microscopic interstellar particles (some hundreds of light years away), thanks to substantial progress in two areas: astronomical spectroscopic techniques in the middle-infrared, the spectral region most diagnostic of composition; and laboratory simulations which realistically reproduce the critical conditions in various interstellar environments. High quality infrared spectra of many different astronomical sources, some associated with dark molecular clouds, and others in the diffuse interstellar medium (DISM) are now available. What comparisons of these spectra with laboratory spectra tell us about the complex organic components of these materials is the subject of this talk. Most interstellar material is concentrated in large molecular clouds where simple molecules are formed by gas phase and dust grain surface reactions. Gaseous species (except H2) striking the cold (10K) dust will stick, forming an icy grain mantle. This accretion, coupled with energetic particle bombardment and UV photolysis, will produce a complex chemical mixture containing volatile, non-volatile, and isotopically fractionated species. One can compare spectra of the diffuse and dense interstellar medium with the spectra of analogs produced in the laboratory under conditions which mimic those in these different environments. In this way one can determine the composition and abundances of the major constituents present and place general constraints on the types and relative abundances of organics coating the grains. Ices in dense clouds contain H2O, CH3OH, CO, perhaps some NH3 and H2CO, as well as nitriles and ketones or esters. there is some evidence that the later, more complex species, are also present on the grains in the DISM. The evidence for these materials, in addition to carbon rich materials such as amorphous carbon, microdiamonds, and polycyclic aromatic hydrocarbons will be reviewed and the possible connection with meteoritic organics will be discussed.

Allamandola, L. J.↗
DOE OSTI2023

The Atomic Drill Bit: Precision Controlled Atomic Fabrication of 2D Materials

The ability to deterministically fabricate nanoscale architectures with atomic precision is the central goal of nanotechnology, whereby highly localized changes in the atomic structure can be exploited to control device properties at their fundamental physical limit. Here, an automated, feedback-controlled atomic fabrication method is reported and the formation of 1D–2D heterostructures in MoS 2 is demonstrated through selective transformations along specific crystallographic orientations. The atomic-scale probe of an aberration-corrected scanning transmission electron microscope (STEM) is used, and the shape and symmetry of the scan pathway relative to the sample orientation are controlled. The focused and shaped electron beam is used to reliably create Mo 6 S 6 nanowire (MoS-NW) terminated metallic-semiconductor 1D–2D edge structures within a pristine MoS 2 monolayer with atomic precision. From these results, it is found that a triangular beam path aligned along the zig-zag sulfur terminated (ZZS) direction forms stable MoS-NW edge structures with the highest degree of fidelity without resulting in disordering of the surrounding MoS 2 monolayer. Density functional theory (DFT) calculations and ab initio molecular dynamic simulations (AIMD) are used to calculate the energetic barriers for the most stable atomic edge structures and atomic transformation pathways. These discoveries provide an automated method to improve understanding of atomic-scale transformations while opening a pathway toward more precise atomic-scale engineering of materials.

2D materials↗
NASA NTRS2006

Design and "As Flown" Radiation Environments for Materials in Low Earth Orbit

A conservative design approach was adopted by the International Space Station Program for specifying total ionizing radiation dose requirements for use in selecting and qualifying materials for construction of the International Space Station. The total ionizing dose design environment included in SSP 30512 Space Station Ionizing Radiation Design Environment is based on trapped proton and electron fluence derived from the solar maximum versions of the AE-8 and AP-8 models, respectively, specified for a circular orbit at 500 km altitude and 51.7 degree inclination. Since launch, the range of altitudes utilized for Space Station operations vary from a minimum of approximately 330 km to a maximum of approximately 405 km with a mean operational altitude less than 400 km. The design environment, therefore, overestimates the radiation environment because the particle flux in the South Atlantic Anomaly is the primary contributor to radiation dose in low Earth orbit and flux within the Anomaly is altitude dependent. In addition, a 2X multiplier is often applied to the design environment to cover effects from the contributions of galactic cosmic rays, solar energetic particle events, geomagnetic storms, and uncertainties in the trapped radiation models which are not explicitly included in the design environment. Application of this environment may give radiation dose overestimates on the order of 1OX to 30X for materials exposed to the space environment, suggesting that materials originally qualified for ten year exposures on orbit may be used for longer periods without replacement. In this paper we evaluate the "as flown" radiation environments derived from historical records of the ISS flight trajectory since launch and compare the results with the SSP 30512 design environment to document the magnitude of the radiation dose overestimate provided by the design environment. "As flown" environments are obtained from application of the AE-8/AP-8 trapped particle models along the ISS flight trajectory including variations in altitude due to decay of the vehicle orbit and periodic reboosts to higher altitudes. In addition, an estimate of the AE-8 model to predict low Earth orbit electron flux (because the radiation dose for thin materials is dominated by the electron component of the radiation environment) is presented based on comparisons of the AE-8 model to measurements of electron integral flux at approximately 850 km from the Medium Energy Proton and Electron Detector on board the NOAA Polar Operational Environmental Satellite.

Minow, Joseph↗
DOE OSTI2025

Modeling Framework to Predict Melting Dynamics at Microstructural Defects in TNT-HMX High Explosive Composites

Many high explosive (HE) formulations are composite materials whose microstructure is understood to impact functional characteristics. Interfaces are known to mediate the formation of hot spots that control their safety and initiation. Here, to study such processes at molecular scales, we developed all-atom force fields (FFs) for Octol, a prototypical HE formulation comprised of TNT (2,4,6-trinitrotoluene) and HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). We extended a FF for TNT and recasted it in a form that can be readily combined with a well-established FF for HMX. The resulting FF was extensively validated against experimental results and density functional theory calculations. We applied the new combined TNT-HMX FF to predict and rank surface and interface energies, which indicate that there is an energetic driver for coarsening of microstructural grains in TNT-HMX composites. Finally, we assess the impact of several microstructural environments on the dynamic melting of TNT crystal under ultrafast thermal loading. We find that both free surfaces and planar material interfaces are effective nucleation points for TNT melting. However, MD simulations show that TNT crystal is prone to superheating by at least 50 K on subnanosecond time scales and that the degree of superheating is inversely correlated with surface and interface energy. The modeling framework presented here will enable future studies on hot spot formation processes in accident scenarios that are governed by strong coupling between microstructural interfaces, material mechanics, momentum and energy transport, phase transitions, and chemistry.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Generation of Venus' nightside ionospheric structure by particle streams from cosmoids

A newly discovered source of energetic particle streams directed at Venus' nightside may cause several exosphere phenomena. The streams evolve from dispersed cosmoids, a surreptitious population of meteoroids in nearly hyperbolic orbits, measured with three dust experiments on Pioneer 10/11. Loose fragile comet-like ensembles of frozen volatile material, they are orders of magnitude more populous than short-period meteoroids. Dispersion is forced near a planet masking the meteor signature at Earth, but recently terrestrial exosphere interactions have been detected principally from VLF radar returns and as suddenly formed layers of neutral sodium and iron probed by lidar. Venus influx is estimated greater than 10(exp -14)(g)/((sq cm)(s)) with nightside directed kinetic power of greater than 0.3 (erg)/((sq cm)s)). Compared to Earth, Venus, lacking a dipole field with almost no rotation, has a readily recognized set of nightside interaction signatures of these downward energetic particle streams: i.e., density depressions of the neutral thermosphere, hydrogen and helium bulges, a non-disappearing ionosphere, electron holes, nightglows, VLF bursty signals, and local magnetic fields. From Pioneer Venus Orbiter (PVO) measurements, the cosmoid population, its temporal and solar azimuthal variation may be determined.

Dubin, M.↗