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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Strategies Toward Lunar Dust Adhesion Mitigation

Recently, the NASA Space Technology Mission Directorate solicited feedback to prioritize shortfalls, which were defined as technology areas needed to enable future exploration missions. Lunar dust mitigation emerged as a critical area and is cross-cutting with many of the highest ranked shortfalls with passive dust mitigation technologies being directly ranked in the top 50. Hazards associated with lunar dust are ubiquitous across all aspects of long duration lunar surface missions, whether crewed or robotic, due to the abrasive, electrostatically charged, and chemically reactive properties of lunar dust. Compounding the issue, lunar dust moves across the lunar surface due to levitation, twilight craters, and plume-surface interactions, which can result in particle velocities exceeding 1 km/h. To address lunar dust challenges, NASA is developing active and passive adhesion mitigation technologies to address specific mission needs, including electrodynamic dust screens, piezoelectric materials, biomimetic engineered surfaces, among many others. Additionally, abrasion-resistant materials are being evaluated for applications for use near landing sites and in surface manipulation and excavation equipment. These approaches, as well as test methodologies both in the laboratory and on the lunar surface to evaluate technology efficacy, will be described.

Dust Mitigation↗
NASA NTRS1980

Surface measuring technique

Measurement of the surface contour of a large electrostatically formed concave reflector using a modified Foucault or knife edge test is described. The curve of the actual electrostatically formed reflector surface is compared to a curve representing a reference sphere. Measurements of surface slope and deviation are calculated every 15 cm along the reflector's horizontal and vertical diameters. Characterization of surface roughness on a small scale compared to the laser spot size at the reflector are obtained from the increased laser spot size at a distant projection screen.

Spiers, R. B., Jr.↗
DOE OSTI2022

Quantifying the anion effect of gas solubility within ionic liquids using the solvation affinity index

The solubility of gas molecules within ionic liquids (ILs) is strongly dictated by the anion effect and the free volume effect, and of these two influences, the anion effect can be challenging to predict. We evaluate a wide range of different gas solutes (O 2 , NH 3 , CH 4 , H 2 S, SO 2 , Ar, H 2 , N 2 , CO 2 ) in different ILs, and we find that the solubility is strongly correlated to one of three different IL properties, which can be directly calculated from the anion electrostatic potential (ESP) surfaces. Thus, the solutes can be grouped into three fundamental types, leading to a general descriptor, the solvation affinity index (SAI), which can identify the affinity between a wide range of gas solutes and IL solvents. The SAI of nine common industrial gases with 47 common anions are generated. Furthermore, this can provide a fast approach for pre-screening IL solvents or even for ILs embedded within porous supports.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Quantum Chemical Simulations of CO 2 and N 2 Capture in Reline, a Prototypical Deep Eutectic Solvent

Deep eutectic solvents such as reline are an emerging class of low-cost, environmentally friendly solvents with tunable properties that are potentially applicable for the capture and separation of CO 2 . Experimental measurements showed that a reline-based membrane contactor can capture and separate CO 2 via physisorption through a dissolution process with 96.7% purity from a mixed gas containing CO 2 and N 2 (50:50% molar ratio). Here, we examine the nature of the interaction of CO 2 and N 2 with reline employing quantum chemical methods. We focus on explaining the mechanism by which CO 2 and N 2 bind to reline and the reason for the high selectivity for absorption of CO 2 compared to N 2 . We analyze the dynamics, energetics, and binding motifs for CO 2 and N 2 in reline employing density functional theory, density functional tight binding, and ab initio molecular dynamics. We also investigate the effect of reline on the vibrational spectra of CO 2 and reline. Our simulations indicate that the selective capture of CO 2 from the mixture of CO 2 and N 2 is due to the interplay between attractive electrostatic and charge polarization forces with opposing entropic effects, which shift the energetic balance and make the N 2 absorption unfavorable in reline.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Charge Regulation Stabilizes the Formation of Ionic Liquid‐Based Amphiphilic Oligomer Droplet Interface Bilayers

Amphiphilic charged oligomers (oligodimethylsiloxane – methylimidazolium cation, ODMS-MIM (+) ), assemble into bilayers using the droplet interface bilayer (DIB) platform, possess similar size and functionality as phospholipid bilayers, but exhibit increased stability. The oligomer ionic headgroups (MIM (+) ) are covalently bound to monodisperse, short-chain (n = 13) hydrophobic tails (ODMS). These self-assemble as monolayer brushes at the oil–aqueous interface of water droplets that are influenced by both the charged cationic headgroups, and the nature of the covalently attached tails in the organic phase. Charge regulation (CR) stabilizes the formation of ordered, molecularly close-packed brush phases, which results in highly insulating, stable DIB membranes, with contributions from specific ion-pairing effects, Debye screening, and voltage-dependent electrocompressive stresses. In the oil phase, interactions between hexadecane, a good solvent for ODMS, and the hydrophobic tails result in extended waiting times for bilayer formation compared to phospholipid DIBs, for which hexadecane is a poor solvent. Close agreement between experimental values and predictions for two key parameters, the critical membrane thickness, h c , and maximal grafted headgroup density, Γ 0 , validate an electrostatic CR model consisting of adsorption and partial neutralization of counterions at a charged interface.

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

Local Electric Field Effects on Water Dissociation in Bipolar Membranes Studied Using Core–Shell Catalysts

The local electric field strength is thought to affect the rate of water dissociation (WD) in bipolar membranes (BPMs) at the catalyst–nanoparticle surfaces. Here, we study core–shell nanoparticles, where the core is metallic, semiconducting, or insulating, to understand this effect. The nanoparticle cores were coated with a WD catalyst layer (TiO2 or HfO2) via atomic layer deposition (ALD), and the morphology was imaged with transmission electron microscopy. Irrespective of the core material, these core–shell catalysts displayed comparable WD overpotentials at optimal mass loading, despite the hypothesized differences in the electric field strength across the catalyst particle suggested by continuum electrostatic simulations. Substantial atomic interdiffusion between the core and shell was ruled out by X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and diffuse reflectance optical measurements. However, the optimal mass loading of catalyst was roughly 1 order of magnitude higher for the conductive and high dielectric core materials than for the low dielectric insulating cores. These findings are consistent with the hypothesis that electric field screening within the core material focuses the electric field drop between particles such that larger film thicknesses can be tolerated. Collectively, these data support the idea that it is the local electric field at the molecular level that controls proton-transfer rates and that the metal core/dielectric-shell constructs introduced here modulate that field. Further materials and synthetic design may enable optimization of the electric field strength across the proton-transfer trajectory at the material surface.

Sarma, Prasad V↗
NASA NTRSDate not supplied

Bio-inspired Surface Structures to Mitigate Interfacial Particle Adhesion and Erosion - A Review

Lunar dust known as regolith is a huge challenge for lunar exploration missions. Formed over millennia by a complex process involving impacts of meteoroids and micrometeoroids on the lunar surface, lunar dust is porous, highly abrasive with sharp jagged edges, chemically reactive, electrostatically charged and sometimes magnetic. The chemical composition and thickness of the dust layer also varies in different regions of the lunar surface. From samples obtained by previous lunar missions, the average particle size is below 100 microns. This dust has the tendency to strongly adhere to any exposed surfaces, and often degrades the material functionality to eventually cause failure. Any material on the lunar surface is also subject to harsh temperature cycles ranging from -178 ̊C to + 123 ̊C and extreme ultraviolet radiation. While on the lunar surface, different classes of materials would be required for different applications. Advanced materials have been and will be used throughout the lunar lander, habitat, and mission equipment. Examples include: polymeric materials for astronaut protective clothing; metals and ceramics for the lunar lander legs and habitats, and excavating equipment; and semiconductors for solar panels and on-board electronics. In all these applications, the surfaces of the materials are expected or understood to be exposed to the extreme lunar environment condition that includes the regolith dust. During the Apollo missions, the dust clung to and abraded the astronaut’s suits, degraded seals, optics, clogged sensors and reduced performance of thermal radiators. The lunar dust adheres to the surface by various mechanisms, which include electrostatic and Coulombic interactions, Van-der-Waals forces, magnetic forces, mechanical interlocking, chemical bonding and donor-acceptor interactions. There are three primary strategies for developing technologies to minimize the lunar dust adhesion: active, passive and a combination of active and passive. In the active approach, an external energy is needed to prevent or remove particles from collecting on the surface. Mechanically powered brushes and electrodynamic dust screens are two examples. In the passive approach, no external power is needed, and the material surface properties are able to mitigate dust adhesion. A well-known example of this strategy is the low work function coatings for non-stick surfaces. In most cases a combination of active and passive methods might be needed to optimally manage the lunar regolith. The passive method is significantly more attractive as it does not require any external power or an additional control subsystem. These approaches optimize the mission payload and reduce risk. Surface modification to minimize the dust adhesion is thus very important to lunar missions. Here, naturally evolved surface structures might provide guidance for solutions. There are several factors that have to be considered for minimizing particle adhesion to a surface. These include the substrate material properties, surface topography, chemistry, and the characteristics of the adhering particles. When engineering a surface, the substrate material chosen would be dependent on the needs of the application. Tailoring the surface microstructure or chemistry opens up more possibilities for its optimal utilization

Lunar Dust↗
NASA NTRS1989

Dusty plasmas in the solar system

The processes that lead to charging of dust grains in a plasma are briefly reviewed. Whereas for single grains the results have been long known, the reduction of the average charge on a grain by 'Debye screening' has only recently been discovered. This reduction can be important in the Jovian ring and in the rings of Uranus. The emerging field of gravitoelectrodynamics which deals with the motion of charged grains in a planetary magnetosphere is then reviewed. Important mechanisms for distributing grains in radial distance are due to stochastic fluctuations of the grain charge and a systematic variation due to motion through plasma gradients. The electrostatic levitation model for the formation of spokes is discussed, and it is shown that the radial transport of dust contained in the spokes may be responsible for the rich radial structure in Saturn's rings. Finally, collective effects in dusty plasmas are discussed which affect various waves, such as density waves in planetary rings and low-frequency plasma waves. The possibility of charged grains forming a Coulomb lattice is briefly described.

Goertz, C. K.↗
NASA NTRS2018

Current Activities in the Advanced Exploration Systems ISRU Project

Media Filter MOXIE support: completed flow performance tests and initial dust loading tests of the MOXIE HEPA filter in the Mars Flow Loop Designed and fabricated prototype full-scale scroll filter for testing of renewable filter performance Mars Flow Loop upgrades: installed more sensitive instrumentation, improved imaging, and increased run duration capability Electrostatic Precipitator (ESP) Plasma-physics based model predicts particle charge and trajectory Characterizing dust environment from fluidized-bed injection dust environment using laser sheet visualization and Fine Particle Analyzer Sabatier Design Study Defined the Sabatier design space, including reactor type, thermal management, gas recycling/separation Modeled Sabatier systems with one or two reactors with different types of thermal management Adding thermal management schemes and recycling and gas separation to model Catalyst Screening Performing compression testing on new and used catalyst pellets Performing vibration testing on different catalyst pellet types under different load conditions Preparing to test catalysts for performance and degradation

In-Situ Resource Utilization↗
DOE OSTI2025

Mechanistic Insights into the Demethylation of Lignin‐Derived Structures Using Protic Ionic Liquids: A Density Functional Theory Study

Lignin valorization is restricted by the stability of its methoxy groups, creating a critical need for efficient demethylation strategies. Here, in this study, density functional theory (DFT) is employed to dissect the mechanistic pathways of demethylation in lignin model compounds, guaiacol and syringol, using protic ionic liquids (PILs) that act as both solvent and catalyst. Conductor‐like Screening Model for Real Solvents (COSMO‐RS) analysis identifies monoethanolammonium acetate ([MEOA][Ace]) as the most promising medium, attributed to its strong hydrogen bonding network and solvation ability. By integrating implicit and explicit solvation models, it is revealed that an acid‐catalyzed hydrolytic mechanism governs demethylation, with PILs stabilizing crucial transition states and intermediates. Complementary electronic structure evaluations, including highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO‐LUMO) gap analysis, charge distribution, and electrostatic potential mapping, demonstrate how PILs lower energetic barriers and enhance reactivity. To simulate realistic environments, this study is extended to lignin dimer complexes with varying water content, uncovering how water‐bridged solvation reverses demethylation preference from guaiacyl to syringyl units. This mechanistic shift aligns with experimental observations showing faster S‐unit reactivity in hydrated systems. Together, these findings provide atomic‐level insight into lignin demethylation dynamics and highlight how tuning acid concentration in PILs can accelerate kinetics, enabling a rational pathway toward next‐generation biomass conversion technologies.

COSMO-RS↗
DOE OSTI2021

Simultaneous mapping of nanoscale dielectric, electrochemical, and ferroelectric surface properties of van der Waals layered ferroelectric via advanced SPM

Ferroelectric surfaces involve a complex interplay between polarization and dielectric properties, internal and external surface charge screening, and ionic and electrochemical effects. There is currently no good way to simultaneously capture all the required information at appropriate length scales. To this end, we present an advanced scanning probe microscopy approach for simultaneously mapping surface potential, dielectric, and piezoelectric properties on the nanoscale. For quantitatively mapping electromechancial properties, we utilize interferometric displacement sensing piezoresponse force microscopy, which measures the effective piezoelectric coefficient free of background artifacts such as the cantilever body electrostatics. The dielectric and surface electrochemical properties are captured during G-mode electrostatic force microscopy/Kelvin probe force microscopy operated in the lift mode. We show the capabilities of this approach on the chemically phase separated composite sample consisting of a van der Waals layered ferroelectric CuInP 2 S 6 phase and a non-polar In 4/3 P 2 S 6 phase. Finally, we demonstrate domain structure evolution during thermally stimulated phase transition.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the Equilibrium Electrostatic Potential and Light-Induced Charge Redistribution in Halide Perovskite Structures

Lead halide perovskites are semiconductor materials which are employed as nonintentionally doped absorbers inserted between two selective carrier transport layers (SCTL), realizing a p-i-n or n-i-p heterojunction. In our study, we have developed and investigated a lateral device, based on methylammonium lead iodide (MAPbI3) in which the p-i-n heterojunction develops in the horizontal direction. Our research suggests that the effective doping level in the MAPbI3 film should be very low, below 1012 cm-3. Along the vertical direction, this doping level is not enough to screen the electric field of the buried heterojunction with the SCTL. The perovskite work function is therefore affected by the work function of the SCTL underneath. From drift-diffusion simulations, we show that intrinsic perovskite-SCTL structures develop mV range surface photovoltages (SPVs) under continuous illumination. However, perovskite-SCTL structures can develop SPVs of hundreds of mV, as confirmed by our measurements. We therefore analyzed the compatibility between low doping and low defect densities in the perovskite layer and such high SPV values using numerical modeling. It is shown that these high SPV values could originate from electronic processes due to large band offsets in the buried perovskite-SCTL heterojunctions, or at the SCTL-transparent conductive oxide (TCO) buried heterojunction. However, such electronic processes can hardly explain the long SPV persistence after switching off the illumination.

defects↗
NASA NTRS2005

Pressure Dependence of Insulator-Insulator Contact Charging

The mechanism of insulator-insulator triboelectric (contact) charging is being studied by the Electrostatics and Surface Physics Laboratory at KSC. The hypothesis that surface ion exchange is the primary mechanism is being tested experimentally. A two-phase model based on a small partial pressure of singly charged ions in an ambient ideal gas in equilibrium with a submonolayer adsorbed film will provide predictions about charging as a function Of ion mass, pressure, temperature, and surface adsorption energy. Interactions between ions will be considered in terms of coulombic and screened potential energies. This work is yielding better understanding of the triboelectrification of insulators, which is an important problem in. space exploration technology. The work is also relevant to important industrial processes such as xerography and the application of paints and coatings. Determining a better understanding of the fundamental mechanism of insulator-insulator triboelectrification will hopefully lead to better means of eliminating or at least mitigating its hazards and enhancing its useful applications.

Hogue, Michael D.↗
DOE OSTI2024

Predicting Partial Atomic Charges in Metal–Organic Frameworks: An Extension to Ionic MOFs

Molecular simulation is an invaluable tool to predict and understand the usage of metal–organic frameworks (MOFs) for gas storage and separation applications. Accurate partial atomic charges, commonly obtained from density functional theory (DFT) calculations, are often required to model the electrostatic interactions between the MOF and adsorbates, especially when the adsorbates have dipole or quadrupole moments, such as water and CO 2 . Machine learning (ML) models have been previously employed to predict partial charges and avoid the computational cost associated with DFT calculations. However, previous ML models suffer from small training data sets, which limit their scope of application. In this work, we introduce two novel machine learning models, PACMOF2-neutral and PACMOF2-ionic, aimed at predicting the density-derived electrostatic and chemical (DDEC6) partial atomic charges for both neutral and ionic MOFs. These models not only yield DFT-level accuracy at a fraction of the computational cost but also demonstrate a remarkable improvement in prediction of adsorption, as validated with grand canonical Monte Carlo simulations. Furthermore, the robustness and fast computational time of the PACMOF2 models, along with their transferability to other porous materials such as covalent organic frameworks and zeolites, underscores their potential in high-throughput screening of MOFs for diverse applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ultra-sensitive radon assay using an electrostatic chamber in a recirculating system

Rare event searches such as neutrinoless double beta decay and Weakly Interacting Massive Particle detection require ultra-low background detectors. Radon contamination is a significant challenge for these experiments, which employ highly sensitive radon assay techniques to identify and select low-emission materials. This work presents the development of ultra-sensitive electrostatic chamber (ESC) instruments designed to measure radon emanation in a recirculating gas loop, for future lower background experiments. Unlike traditional methods that separate emanation and detection steps, this system allows continuous radon transport and detection. This is made possible with a custom-built recirculation pump. A Python-based analysis framework, PyDAn, was developed to process and fit time-dependent radon decay data. Radon emanation rates are given for various materials measured with this instrument. A radon source of known activity provides an absolute calibration, enabling statistically-limited minimal detectable activities of 20 µBq. These devices are powerful tools for screening materials in the development of low-background particle physics experiments.

47 OTHER INSTRUMENTATION↗
NASA NTRS2018

A Risk Analysis Tool for Estimating the Risk of Electrical Failures Due to Human Induced Defects

Aerospace electrical systems are required to withstand and adequately operate in extremely harsh environments that include, for example, high radiation exposure, temperature extremes, intense vibrational stress and drastic temperature cycling. The nature of aerospace electronics also demands high reliability since, with very few exceptions, there is no chance for hardware servicing or repairs. Common risk mitigation techniques for this type of situation are to perform a Reliability Analysis of the system throughout the development cycle, and to use electrical components that are regarded as “high reliability” because of additional controls and requirements applied in their design, manufacturing and testing. Unfortunately, studies have shown that even though these techniques are used, many systems fail to meet mission requirements well before the predicted lifetimes. This paper presents the analysis of failures of electrical parts, experienced during various stages of system development, at NASA Goddard Space Flight Center, Greenbelt MD, between the years 2001 and 2013. These components were subjected to qualification, screening and testing in which the goal was to ensure that the components would survive the stresses of the mission. The analysis categorizes failures by part type and failure mechanisms. One of the results of the analysis was the realization that a surprising proportion of failures experienced during system integration and testing were caused by human error (i.e. human induced defect). Further analysis included the determination of root failure mechanisms and any influencing factors contributing to these failures. The major causes of these defects were attributed to electrostatic damage (ESD), electrical overstress (EOS), mechanical overstress (MOS), and thermal overstress (TOS). Finally, the study proposes a risk analysis tool which incorporates these major causes for the failures, termed error-producing conditions (EPCs), and a proportionality factor representing the number of each type of failure that has occurred at the facility under study. These factors are quantified and used to communicate the risk of human induced defects for the assembly, integration and testing of space hardware based on the system’s electrical parts list. The new risk identification can trigger risk-mitigating actions more effectively, based on the presence of component categories or other hazardous conditions that have a history of failure due to human error.

Majewicz, Peter J.↗
DOE OSTI2024

Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes

The phenomenon of underscreening in concentrated electrolyte solutions leads to a larger decay length of the charge–charge correlation than the prediction of Debye–Hückel (DH) theory and has found a resurgence of both theoretical and experimental interest in the chemical physics community. To systematically understand and investigate this phenomenon in electrolytes requires a theory of concentrated electrolytes to describe charge–charge correlations beyond the DH theory. We review the theories of electrolytes that can transition from the DH limit to concentrations where charge correlations dominate, giving rise to underscreening and the associated Kirkwood Transitions (KTs). In this perspective, we provide a conceptual approach to a theoretical formulation of electrolyte solutions that exploits the competition between molecular-informed short-range (SR) and long-range interactions. We demonstrate that all deviations from the DH limit for real electrolyte solutions can be expressed through a single function ΣQ that can be determined both theoretically and numerically. Importantly, ΣQ can be directly related to the details of SR interactions and, therefore, can be used as a tool to understand how differences in representations of interaction can influence collective effects. The precise function form of ΣQ can be inferred through a Gaussian field theory of both the number and charge densities. The resulting formulation is validated by experiment and can accurately describe the collective phenomenon of screening in concentrated bulk electrolytes. Importantly, the Gaussian field theory predictions of the screening lengths appear to be less than ∼1 nm at concentrations above KTs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Multidimensional Coherent Spectroscopy of van der Waals materials and heterostructures (Final Technical Report)

This project advanced multidimensional coherent spectroscopy (MDCS) and related spectroscopic-imaging methods as quantitative probes of many-body optical excitations in two-dimensional (2D) van der Waals (vdW) semiconductors and their heterostructures. Monolayer transition-metal dichalcogenides (TMDs) such as MoSe 2 and WSe 2 provide a uniquely strong platform for excitonic physics due to reduced dielectric screening, which enhances Coulomb interactions and makes higher-order correlated states (e.g., biexcitons and exciton–trion correlations) more prominent than in conventional bulk semiconductors. At the same time, the same sensitivity that enables strong interactions also increases susceptibility to spatial inhomogeneity—e.g., strain gradients, wrinkles, nanoscale disorder potentials, and charge puddling—which can broaden resonances, obscure interaction signatures, and complicate device-to-device reproducibility. The work reported here addressed this dual opportunity and challenge by: (i) developing and deploying coherent multidimensional methods (including double-quantum MDCS) capable of isolating interaction signals with reduced background, (ii) integrating electrostatic control to tune carrier populations and interaction strengths in situ, and (iii) introducing complementary spatially resolved photoluminescence (PL) techniques—hyperspectral PL imaging and polarization-/field-dependent PL lineshape analysis—to directly quantify disorder, strain, and localization that govern the coherent response.

36 MATERIALS SCIENCE↗