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All sourcesNASA NTRSDOE OSTI
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Electric Sail Design Sensitivities

Electric Sails (E-Sails) are a promising propulsion technology that seek to enable high characteristic propellentless acceleration for spacecraft to reach distant and/or difficult to reach orbits such as rapid transit to heliopause. The E-Sail system exchanges momentum by using positively charged electrostatic tethers to repel solar wind photons to push it through space. This concept was first theorized by Pekka Janhunen in 2004 with further developments occurring including a NASA Innovative Advanced Concepts Phase 1 and Phase 2 hosted out of NASA’s Marshall Space Flight Center (MSFC). These developments led to further maturation of the overall system, and this paper is designed to help identify different design sensitivities of an integrated Electric Sail system. To approach this, a small team at MSFC took an in-house developed three degrees of freedom (3DoF) simulation tool and a trajectory modelling tool to look at different design parameters and to determine a potential ideal E-Sail configuration. An E-Sail system has different design architectures including a barbell design, hub and spoke design, and a potential hybrid solution. The barbell design features two equally massed satellites that spin around a central point in the tether system. The hub and spoke design features a large central spacecraft with small end spacecraft to aid in formation control of the overall E-Sail system. Leveraging elements from both the hub and spoke, and barbell design, a hybrid option exists where one could have a larger central mass and one or two tethers extended to a smaller end mass [2]. In summary, the hub and spoke design is the ideal configuration for E-Sail with tethers spanning kilometers to achieve the designed design characteristic acceleration of at least one mm/s2 with this architecture being the focus of this study. Different key design parameters were varied as part of this study. These parameters include the total number of tethers, the length of the tethers, spin rate, relative spacecraft mass, tether voltage, inertia per tether, and impact of slew rate changes. These results started from an internal MSFC technology demonstration mission design and then the parameters were varied with engineering judgement to ensure that the results were consistent with expected results. These were varied in the MSFC 3DoF tool and compared to baseline results to generate a candidate ideal E-Sail design system. These results were then used to help inform the mission analysis design for the system. The 3DoF trajectory optimization was performed in the Astrodynamics and Space Science Enabling Toolbox (ASSET) and utilized collocation optimization of control vector pointing with the objective function being transfer duration. A representative model of the E-Sail force was derived as a function of the Sun-pointing vector direction. This model was initialized with a zero Sun Incidence Angle (SIA) trajectory for the initial guess generation, then with a portion of the mission optimized SIA time history for fast outbound transfers. After the trajectory is hyperbolic relative to a heliocentric frame, the SIA is maintained at 0 degrees except for any needed trajectory correction maneuvers. This trajectory optimization looked at different characteristic acceleration values to analyze the impact it had on mission performance. As a result of this study, the team can best inform mission designers and technology development efforts to mature the E-Sail system. This study will allow mission designers to have defined rules-of-thumb to design an E-Sail system to meet desired mission needs as well as providing several sample mission profiles. These design drivers will inform maturation efforts on which design requirements to consider for an integrated E-Sail design.

E-Sail↗
DOE OSTI2021

Helium causing disappearance of a/2<111> dislocation loops in binary Fe-Cr ferritic alloys

In this work, single and dual-beam self-ion irradiations were performed at 500°C on ultra-high purity Fe14%Cr alloy to ~0.33 displacements-per-atom (dpa), and 0 or 3030 atomic-parts-per-million (appm) helium/dpa, respectively. Using transmission electron microscopy, we reveal that helium can drastically modify the dislocation loop Burgers vector in Fe-Cr alloys. Helium co-implantation caused complete disappearance of a/2<111> type dislocation loops, and the microstructure consisted of only a<100> loops. Conversely, a/2<111> type loops were predominant without He co-implantation. The total loop density remained largely unaffected. The results strikingly contrast literature asserting that helium stabilizes a/2<111> type loops in bcc Fe alloys, based on low temperature irradiations. Collectively analyzing the results with literature suggest that the small positive interaction between helium and self-interstitial atoms (SIA) in Fe predicted by atomistic simulations maybe insufficient to holistically explain the dislocation loop microstructure development in presence of helium. Helium-SIA positive binding inadvertently implies elevated a/2<111> loop fraction and higher loop densities that the present results contradict. Helium induced high cavity density causing a preferential loss of highly glissile <111> clusters, leaving the matrix saturated with <100> type clusters is proposed as a potential mechanism. Further, the in-situ irradiations combined with Burgers vector analysis strengthened the evidence of Cr-induced dislocation loop mobility reduction that appears to stabilize the a/2<111> type loops and causes higher loop densities in Fe-Cr alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Accurate Fe–He machine learning potential for studying He effects in BCC-Fe

Nanostructured Ferritic Alloys (NFAs) containing oxide nanoparticles are prospective advanced structural materials in future fusion reactors. Lacking fusion neutron sources with an adequate flux, modeling is critical to understand radiation damage in the NFAs, including helium effects. Machine learning interatomic potentials (MLPs) have been demonstrated to be capable of describing atomic interactions in chemically complex systems with comparable accuracy to density functional theory (DFT) but with much less computational costs. Hence, MLPs are chosen to study He bubble accumulation in chemically complex NFAs. As a preliminary step, we develop a Fe–He potential, based on ~10,000 atomic configurations. The developed MLP accurately predicts the bulk properties of BCC-Fe compared to DFT, including the lattice constant (2.832 Å), elastic constants (c 11 = 271 GPa, c 12 = 141, c 44 = 93), and phonon frequencies (maximum error < 3.5%). The MLP predicts He binding energies in He n V bubbles and He n clusters with a mean absolute error (MAE) of only ~70 meV, which is ~3 to ~5 times smaller than the MAE of binding energies estimated using empirical potentials. The MLP also accurately predicts the migration barrier of interstitial He (64 meV). Furthermore, the MLP correctly predicts the maximum number of He atoms (critical size) at which a He n V bubble (He n cluster) can kick-out a self-interstitial atom (SIA), forming a bigger He n V 2 bubble (He n V bubble). Subsequently, we use the MLP to perform molecular dynamics simulations to investigate the effect of temperature on the critical size of He n V bubbles and He n clusters. We find that the critical size decreases with increasing temperature — indicating that smaller bubbles and clusters can kick-out an SIA at higher temperatures, thereby escalating the He bubble growth. We report the current Fe–He MLP can be further developed to include all chemical interactions in NFAs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Two-dimensional forms of robust CO 2 reduction photocatalysts

Photoelectrocatalysts that use sunlight to power the CO 2 reduction reaction will be crucial for carbon-neutral power and energy-efficient industrial processes. Scalable photoelectrocatalysts must satisfy a stringent set of criteria, such as stability under operating conditions, product selectivity, and efficient light absorption. Two-dimensional materials can offer high specific surface area, tunability, and potential for heterostructuring, providing a fresh landscape of candidate catalysts. From a set of promising bulk CO 2 reduction photoelectrocatalysts, we screen for candidate monolayers of these materials, then study their catalytic feasibility and suitability. For stable monolayer candidates, we verify the presence of visible-light band gaps, check that band edges can support CO 2 reduction, determine exciton binding energies, and compute surface reactivity. We find visible light absorption for SiAs, ZnTe, and ZnSe monolayers, and that due to a lack of binding, CO selectivity is possible. We thus identify SiAs, ZnTe, and ZnSe monolayers as targets for further investigation, expanding the chemical space for CO 2 photoreduction candidates.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Radiation-induced segregation in dilute Fe–Cr: A rate-theory framework for the Cr enrichment–depletion transition at the grain boundary

Radiation-induced segregation (RIS) poses a significant challenge for ferritic Fe–Cr alloys under irradiation, as it can compromise mechanical integrity and increase susceptibility to intergranular corrosion. Yet, the mechanisms governing Cr segregation remain incompletely understood. Here, in this study, we present a physics-based rate-theory model parameterized using self-consistent mean field theory-based Onsager transport coefficients to investigate RIS at the grain boundary in dilute Fe-(0.1 at. %) Cr. Under equal production rates of vacancies and self-interstitial atoms (SIA), and their equal absorption rates by bulk dislocations, the model simulates the experimentally observed transition from Cr enrichment at low temperatures to depletion at higher temperatures. Under these unbiased conditions, systematic investigation reveals that while temperature-dependent transport properties dictate the segregation direction, dose rate, grain size, and dislocation density only influence the magnitude and spatial extent of Cr segregation. However, under more realistic conditions of preferential vacancy production within damage cascade and/or preferential SIA absorption by bulk dislocations, the enrichment-to-depletion transition shifts to lower temperatures. Our findings demonstrate that RIS predictions based solely on transport coefficients are valid only under symmetric point defect flux conditions, and that biases in defect production and absorption must be considered for accurate predictions. This work provides a mechanistic framework for understanding RIS in ferritic alloys and informs alloy design for advanced nuclear systems.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Magnetic properties of a staggered S = 1 chain with an alternating single-ion anisotropy direction

Materials composed of spin-1 antiferromagnetic (AFM) chains are known to adopt complex ground states that are sensitive to the single-ion-anisotropy (SIA) energy ( D ), and intrachain ( J 0 ) and interchain ( J 1 , 2 ′ ) exchange energy scales. While theoretical and experimental studies have extended this model to include various other energy scales, the effect of the lack of a common SIA axis is not well explored. Here we investigate the magnetic properties of Ni ( pyrimidine ) ( H 2 O ) 2 ( NO 3 ) 2 , a chain compound where the tilting of Ni octahedra leads to a twofold alternation of the easy-axis directions along the chain. Muon-spin relaxation measurements indicate a transition to long-range order at T N = 2.3 K and the magnetic structure is initially determined to be antiferromagnetic and collinear using elastic neutron diffraction experiments. Inelastic neutron scattering measurements were used to find J 0 = 5.107 ( 7 ) K , D = 2.79 ( 1 ) K , J 1 ′ = 0.00 ( 5 ) K , J 2 ′ = 0.18 ( 3 ) K , and a rhombic anisotropy energy E = 0.19 ( 9 ) K . Mean-field modeling reveals that the ground state structure hosts spin canting of ϕ ≈ 6 . 5 ∘ , which is not detectable above the noise floor of the elastic neutron diffraction data. Monte Carlo simulation of the powder-averaged magnetization, M ( H ) , is then used to confirm these Hamiltonian parameters, while single-crystal M ( H ) simulations provide insight into features observed in the data. Published by the American Physical Society 2025

Vaidya, S. (ORCID:000000033975497X)↗
NASA NTRS1992

A vision for planetary exploration

A vision for planetary exploration is proposed which combines historical perspective and current NASA studies with the realities of changing political climates, economic environments, and technological directions. The concepts of Strategic Implementation Architectures (SIA), Open System Infrastructure Standards (OSIS), and Minimum Service Level Infrastructure (MSLI) are presented in order to propose a structure for the SEI which allows the realization of incremental mission objectives, establishes an investment strategy that efficiently uses public resources, and encourages partnerships with the government. The SIA is a hypothetical master plan which will allow the implementation of the complete spectrum of envisioned system capabilities for planetary exploration. OSIS consists of standards for interconnection, interoperability, and administration. MSLI can be defined as the minimum level of services provided by the system that are not justified by profit or parochial motives.

Connolly, John F.↗
DOE OSTI2021

Helium bubble formation in nickel under in-situ krypton and helium ions dual-beam irradiation

Helium has profound effects on the microstructure and mechanical property of materials used in nuclear power systems. Here to understand the interaction between helium and irradiation-induced defects and its effect on bubble formation, single-beam and dual-beam irradiations on nickel were performed with 16 keV helium ions and 1 MeV krypton ions under in-situ TEM observation. For 1 MeV krypton single-beam irradiation, voids were observed at 600ºC but not at 500ºC and 700ºC. For helium single-beam irradiation at 500ºC, helium moved freely and formed bubble-loop complexes. For dual-beam irradiation at 500ºC, helium was trapped by vacancies and formed bubbles homogeneously. The structure of dislocation loops was also affected by the presence of helium. For krypton single-beam irradiation at 500ºC, the microstructure was {100} periodic wall of faulted and perfect dislocation loops. For dual-beam irradiation at 500ºC, periodic wall was not observed, and dislocation loops were predominantly perfect. For single-beam helium at 500ºC, dislocation loops were produced by athermal process of SIAs ejection or loop punching mechanisms. The interplay between helium and vacancies played an important role on the evolution of helium bubbles and defect microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of free surfaces on localized plastic deformation in single-crystal nickel containing helium bubbles and radiation-induced self-interstitial atom clusters

This paper presents molecular dynamics (MD) simulations of plastic deformation in single-crystal Ni models containing internal distributions of helium (He) bubbles and self-interstitial atom (SIA) clusters corresponding to experimental characterization of ex-service Inconel X-750 components. Here, we simulate single crystals with and without free surfaces at room temperature and 588K, the latter temperature corresponding to the Inconel X-750 service conditions. Both models are deformed under multiple slip to a maximum deviatoric strain of ~10 %. A dislocation slip band forms in the model without free surfaces, but not in the model with free surfaces. However, the latter exhibits nano-twin nucleation from surfaces. Helium (He) bubbles that overlap with a slip band or a nano-twinned region deform more severely than other bubbles in the model. Nevertheless, the bubbles do not link up and do not form configurations that resemble incipient cracks.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations

Two new ternary tetrel pnictide phases, Li 1.08 Ge 4.92 As 7 and Cs 0.11 Zn 0.05 Si 0.95 As, have been synthesized. Both compounds crystallize in new structure types, which demonstrate the flexibility of Ge(Si)–As layers when accommodating electropositive cations of various sizes. Li 1.08 Ge 4.92 As 7 displays a Ge-As layer motif that has not been observed in ternary Ge-As systems, while Cs 0.11 Zn 0.05 Si 0.95 As exhibits a 3D framework composed of fragments of the 2D parent-phase SiAs. For Li 1.08 Ge 4.92 As 7 , a combination of computational modeling and solid-state 7 Li MAS NMR was used to establish the correct crystal structure with one mixed occupied Ge/Li site. The compositions of the phases were confirmed through energy-dispersive X-ray spectroscopy. Transport properties and UV–Vis spectroscopy reveal both reported compounds to be semiconductors. Cs 0.11 Zn 0.05 Si 0.95 As shows high thermal stability with congruent melting at 1300 K and an exceptionally low thermal conductivity of 0.5 W m –1 K –1 at 300 K. Temperature-dependent Li-ion hopping dynamics in Li 1.08 Ge 4.92 As 7 was characterized using 7 Li solid-state NMR.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The role of stacking fault tetrahedra on void swelling in irradiated copper

Abstract A long-standing and critical issue in the field of irradiated structural materials is that void swelling is significantly higher in face-centered cubic-structured (fcc) materials (1% dpa −1 ) as compared to that of body-centered cubic-structured (bcc) materials (0.2% dpa −1 ). Despite extensive research in this area, the underlying mechanism of the difference in swelling resistance between these two types of materials is not yet fully understood. Here, by combining atomistic simulations and STEM imaging, we find stacking fault tetrahedra (SFTs) are the primary cause of the high swelling rate in pure fcc copper. We reveal that SFTs in fcc copper are not neutral sinks, different from the conventional knowledge. On the contrary, they are highly biased compared to other types of sinks because of the SFT-point defect interaction mechanism. SFTs show strong absorption of mobile self-interstitial atoms (SIAs) from the faces and vertices, and weak absorption of mobile vacancies from the edges. We compare the predicted swelling rates with experimental findings under varying conditions, demonstrating the distinct contributions of each type of sink. These findings will contribute to understanding the swelling of irradiated structural materials, which may facilitate the design of materials with high swelling resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Geometrically necessary dislocation fingerprints of dislocation loop absorption at grain boundaries

Here we present a numerical methodology to compute the Nye-tensor fingerprints of dislocation loop absorption at grain boundaries (GBs) for comparison with TEM observations of irradiated polycrystals. Our approach links atomistic simulations of self-interstitial atom (SIA) prismatic loops gliding toward and interacting with GBs in body-centered cubic iron with experimentally extracted geometrically necessary dislocation (GND) maps to facilitate the interpretation of damage processes. The Nye-tensor analysis is strongly mesh-size dependent—corresponding to resolution-dependent TEM observations. The method computes GND fingerprints from discretized dislocation line segments extracted from molecular dynamics simulations of dislocation loops being absorbed at a GB. Specifically, we perform MD simulation of prismatic loops of two diameters and monitor the three stages of the absorption process: loop glide, the partial, and full absorption of the loops at a [1 0 0] symmetric tilt GB. These methods provide a framework for future investigations of the nature of defect absorption by grain boundaries under irradiation conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Continuum Dislocation Dynamics Crystal Plasticity Approach to Irradiated Body-Centered Cubic α-Iron

Radiation-induced embrittlement of reactor pressure vessel (RPV) steels can potentially limit the operating life of nuclear power plants. Over extended exposure to radiation doses, these body-centered cubic (BCC) irons demonstrate irradiation damage. Here, we present a continuum dislocation density (CDD) crystal plasticity model to capture the interaction among dislocations and self-interstitial atom (SIA) loops in α-iron. We demonstrate the importance of modeling cross slip using a combined stochastic Monte Carlo approach and the role of slip system strength anisotropy in capturing stochastic cross slip interactions. Through these captured interactions, the CDD crystal plasticity model can capture both the stress response and the physical evolution of dislocations on different slip system planes. Single-crystal verification experiments are used to calibrate the CDD crystal plasticity model, and a set of simplified polycrystalline simulations demonstrates the model’s ability to capture the stress response from tensile experiments on α-iron.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Development of Statistical Process Control Methodology for an Environmentally Compliant Surface Cleaning Process in a Bonding Laboratory

Bonding labs at both MSFC and the northern Utah production plant prepare bond test specimens which simulate or witness the production of NASA's Reusable Solid Rocket Motor (RSRM). The current process for preparing the bonding surfaces employs 1,1,1-trichloroethane vapor degreasing, which simulates the current RSRM process. Government regulations (e.g., the 1990 Amendments to the Clean Air Act) have mandated a production phase-out of a number of ozone depleting compounds (ODC) including 1,1,1-trichloroethane. In order to comply with these regulations, the RSRM Program is qualifying a spray-in-air (SIA) precision cleaning process using Brulin 1990, an aqueous blend of surfactants. Accordingly, surface preparation prior to bonding process simulation test specimens must reflect the new production cleaning process. The Bonding Lab Statistical Process Control (SPC) program monitors the progress of the lab and its capabilities, as well as certifies the bonding technicians, by periodically preparing D6AC steel tensile adhesion panels with EA-91 3NA epoxy adhesive using a standardized process. SPC methods are then used to ensure the process is statistically in control, thus producing reliable data for bonding studies, and identify any problems which might develop. Since the specimen cleaning process is being changed, new SPC limits must be established. This report summarizes side-by-side testing of D6AC steel tensile adhesion witness panels and tapered double cantilevered beams (TDCBs) using both the current baseline vapor degreasing process and a lab-scale spray-in-air process. A Proceco 26 inches Typhoon dishwasher cleaned both tensile adhesion witness panels and TDCBs in a process which simulates the new production process. The tests were performed six times during 1995, subsequent statistical analysis of the data established new upper control limits (UCL) and lower control limits (LCL). The data also demonstrated that the new process was equivalent to the vapor degreasing process.

Hutchens, Dale E.↗
NASA NTRS1997

Simulation of Ultra-Small Electronic Devices: The Classical-Quantum Transition Region

Concern is increasing about how quantum effects will impact electronic device operation as down-scaling continues along the SIA Roadmap through 2010. This document describes part of a new semiconductor device modeling (SDM) program at NAS to investigate these concerns by utilizing advanced NAS and third-party numerical computation software to rapidly implement and investigate electronic device models including quantum effects. This SDM project will investigate quantum effects in devices in the classical-quantum transition region, especially sub-0.1 mm MOSFETs. Specific tasks planned for this project include the use of quantum corrections to the classical drift-diffusion and hydrodynamic models of electron transport, arid the use of nominally quantum models including significant scattering.

Biegel, Bryan A.↗
NASA NTRS2004

Device Concepts Based on Spin-dependent Transmission in Semiconductor Heterostructures

We examine zero-magnetic-field spin-dependent transmission in nonmagnetic semiconductor heterostructures with structural inversion asymmetry (SIA) and bulk inversion asymmetry (BIA), and report spin devices concepts that exploit their properties. Our modeling results show that several design strategies could be used to achieve high spin filtering efficiencies. The current spin polarization of these devices is electrically controllable, and potentially amenable to highspeed spin modulation, and could be integrated in optoelectronic devices for added functionality.

resonant tunneling↗
NASA NTRS2007

Enhancing Spin Filters by Use of Bulk Inversion Asymmetry

Theoretical calculations have shown that the degrees of spin polarization in proposed nonmagnetic semiconductor resonant tunneling spin filters could be increased through exploitation of bulk inversion asymmetry (BIA). These enhancements would be effected through suitable orientation of spin collectors (or spin-polarization- inducing lateral electric fields), as described below. Spin filters -- more precisely, sources of spin-polarized electron currents -- have been sought for research on, and development of, the emerging technological discipline of spintronics (spin-transport electronics). The proposed spin filters were to be based on the Rashba effect, which is an energy splitting of what would otherwise be degenerate quantum states, caused by a spinorbit interaction in conjunction with a structural-inversion asymmetry (SIA) in the presence of interfacial electric fields in a semiconductor heterostructure. The magnitude of the energy split is proportional to the electron wave number. In a spin filter, the spin-polarized currents produced by the Rashba effect would be extracted by quantum-mechanical resonant tunneling.

Ting, David↗
NASA NTRS1995

Some Recent Advances and Applications of Infrared Detector Technology at the Jet Propulsion Laboratory

The Jet Propulsion Laboratory has a long history in the development and application of infrared detector technology for the exploration of our planetary system. We will describe some recent applications of IR detector technology at JPL for ground based astronomy, the Earth Observing System, the Cassini Mission to Saturn, and the other proposed planetary missions. The infrared detector technologies to be discussed include single element, multiplexed linear and staring arrays, using a wide variety of infrared sensing materials including InSb, InGaAs, HgCdTe (PV and PC) and SiAs.

IR↗