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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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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

In-Space Laser Forming Simulated Under Thermal Vacuum (TVAC) Conditions

NASA Marshall Space Flight Center is investigating laser forming under thermal vacuum conditions representative of the space environment through a partnership with the DARPA NOM4D program. The thermal gradient mechanism (TGM) is used to bend a metal sheet towards the laser optics. Laser equipment and process parameters are being optimized for thermal vacuum conditions. Such conditions are representative of the extreme cold and hot temperatures and high vacuum that exist on orbit or on the lunar surface. in situ photogrammetry and thermography assess the bend/counterbend and elucidate the TGM in thermal vacuum. Structured light scanning and metallography after bending reveal the macroscopic and microscopic structure after TGM.

thermal vacuum↗
DOE OSTI2025

Facet-dependent structure and dissociation of water at pristine IrO 2 /water interfaces

Understanding the microscopic structure of water at metal oxide interfaces is crucial for advancing electrocatalysis. IrO 2 , specifically, has shown exceptional activity for electrochemical water oxidation, but we currently lack a fundamental understanding of how the surface structure of IrO 2 impacts water reactivity. In this work, we developed a machine learning potential trained to first-principles accuracy for modeling IrO 2 /water interfaces across different facets: (110), (100), (101), and (001). Using extensive machine learning molecular dynamics simulations, we investigated the spontaneous dissociation of water molecules at these interfaces. Our results reveal a distinct dissociation probability trend: (110) > (100) ≈ (101) > (001), which we attribute primarily to the reaction thermodynamics of surface water dissociation. A strong correlation is observed between the surface Ir–O bond distances and the dissociation probabilities, highlighting the role of surface geometry in modulating reactivity. As a consequence, the interfacial solvation structures and hydrogen bonding environments are dynamically tuned by the varying water dissociation capabilities across facets. This work elucidates how water dissociation energetics depend on surface orientation and interfacial structure, offering atomistic insights into manipulating reaction chemistry at electrocatalytic interfaces.

organic↗
NASA NTRS1983

Electron microscopic observations of hydrogen implantation in ilmenites

Hydrogen ion beams were found to form submicrometer, bumpy textures on the surface of ilmenite grains. From this effect, it is believed that similar bumpy textures seen on lunar ilmenite, pyroxene, and olivine grains are likely to be caused by solar wind irradiation. As a consequence, the concentration of bumpy textured grains may be a useful index of surface maturity for lunar soils. An attempt was made to search for grains with these bumpy textures in interplanetary dust and lunar and meteoritic regolith breccias in order to obtain information about the duration of their exposure to the solar wind. Solar wind irradiation was simulated on natural, terrestrial ilmenite. Hydrogen ion beams were directed at small grains and polished sections which were then examined by electron microscopy.

Blanford, G. E.↗
NASA NTRS2009

Cratering Equations for Zinc Orthotitanate Coated Aluminum

The final STS-125 servicing mission (SM4) to the Hubble Space Telescope (HST) in May of 2009 saw the return of the 2nd Wide Field Planetary Camera (WFPC2) aboard the shuttle Discovery. This hardware had been in service on HST since it was installed during the SM1 mission in December of 1993 yielding one of the longest low Earth orbit exposure times (15.4 years) of any returned space hardware. The WFPC2 is equipped with a 0.8 x 2.2 m radiator for thermal control of the camera electronics (Figure 1). The space facing surface of the 4.1 mm thick aluminum radiator is coated with Z93 zinc orthotitanate thermal control paint with a nominal thickness of 0.1 0.2 mm. Post flight inspections of the radiator panel revealed hundreds of micrometeoroid/orbital debris (MMOD) impact craters ranging in size from less than 300 to nearly 1000 microns in diameter. The Z93 paint exhibited large spall areas around the larger impact sites (Figure 2) and the craters observed in the 6061-T651 aluminum had a different shape than those observed in uncoated aluminum. Typical hypervelocity impact craters in aluminum have raised lips around the impact site. The craters in the HST radiator panel had suppressed crater lips, and in some cases multiple craters were present instead of a single individual crater. Humes and Kinard observed similar behavior after the WFPC1 post flight inspection and assumed the Z93 coating was acting like a bumper in a Whipple shield. Similar paint behavior (spall) was also observed by Bland2 during post flight inspection of the International Space Station (ISS) S-Band Antenna Structural Assembly (SASA) in 2008. The SASA, with similar Z93 coated aluminum, was inspected after nearly 4 years of exposure on the ISS. The multi-crater phenomena could be a function of the density, composition, or impact obliquity angle of the impacting particle. For instance, a micrometeoroid particle consisting of loosely bound grains of material could be responsible for creating the multiple craters. Samples were obtained from the HST largest craters for examination by electron microscope equipped with x-ray spectrometers to determine impactor source (micrometeoroid or orbital debris). In an attempt to estimate the MMOD particle diameters that produced these craters, this paper will present equations for spall diameter, crater depth and crater diameter in Z93 coated aluminum. The equations will be based on hypervelocity impact tests of Z93 painted aluminum at the NASA White Sands Test Facility. Equations inputs for velocities beyond the testable regime are expected from hydrocode simulations of Z93 coated aluminum using CTH and ANSYS AUTODYN.

Hyde, James↗
NASA NTRS2002

Long Term Manipulations of Intact Microbial Mat Communities in a Greenhouse Collaboratory: Simulating Earth's Present and Past Field Environments

Photosynthetic microbial mat communities were obtained from marine hypersaline saltern ponds, maintained in a greenhouse facility, and examined for the effects of salinity variations. Because these microbial mats are considered to be useful analogs of equivalent ancient marine communities, they offer insights about evolutionary events during the greater than 3 billion year time interval wherein mats co-evolved with Earth's geosphere and atmosphere. Although photosynthetic mats can be highly dynamic and exhibit extremely high activity, the mats in the present study have been maintained for more than one year with relatively minor changes. The major groups of microorganisms, as assayed using microscopic, genetic, and biomarker methodologies, are essentially the same as those in the original field samples. Field and greenhouse mats were similar with respect to rates of exchange of oxygen and dissolved inorganic carbon across the mat-water interface, both during the day and at night. Field and greenhouse mats exhibited similar rates of efflux of methane and hydrogen. Manipulations of salinity in the water overlying the mats produced changes in the community that strongly resemble those observed in the field. A collaboratory testbed and an array of automated features are being developed to support remote scientific experimentation with the assistance of intelligent software agents. This facility will permit teams of investigators to explore ancient environmental conditions that are rare or absent today but might have influenced the early evolution of these photosynthetic ecosystems.

Bebout, Brad↗
DOE OSTI2026

Machine-learning modeling of magnetization dynamics in quasi-equilibrium and driven metallic spin systems

Here, we present a perspective on recent progress in machine-learning (ML) force-field approaches for large-scale Landau–Lifshitz–Gilbert (LLG) simulations of metallic spin systems. Building on a generalization of the Behler–Parrinello (BP) architecture originally developed for quantum molecular dynamics, we develop scalable and transferable ML models that faithfully capture the complex, environment-dependent electron-mediated exchange fields characteristic of itinerant magnets. A central ingredient of this framework is the implementation of symmetry-aware magnetic descriptors based on group-theoretical bispectrum formalisms. Leveraging these ML force fields, LLG simulations faithfully reproduce hallmark non-collinear magnetic orders—such as the 120° and tetrahedral states—on the triangular lattice, and successfully capture the complex spin textures emerging in the mixed-phase states of a square-lattice double-exchange model under thermal quench. We further discuss a generalized potential theory that extends the BP formalism to incorporate both conservative and nonconservative electronic torques, thereby enabling ML models to learn nonequilibrium exchange fields from computationally demanding microscopic approaches such as nonequilibrium Green’s-function techniques. This extension yields quantitatively accurate predictions of voltage-driven domain-wall motion and establishes a foundation for quantum-accurate, multiscale modeling of nonequilibrium spin dynamics and spintronic functionalities.

Descriptors↗
NASA NTRS2003

Small Particle Response to Fluid Motion Using Tethered Particles to Simulate Microgravity

This paper reports on ground based work conducted to support the Spaceflight Definition project SHIVA (Spaceflight Holography Investigation in a Virtual Apparatus). SHIVA will advance our understanding of the movement of a particle in a fluid. Gravity usually dominates the equations of motion, but in microgravity as well as on earth other terms can become important. Through an innovative application of fractional differential equations, two members of our team produced the first analytical solution of a fundamental equation of motion, which had only been solved numerically or by approximation before. The general solution predicts that the usually neglected history term becomes important in particle response to a sinusoidal fluid movement when the characteristic viscous time is in the same order as the fluid oscillation period and peaks when the two times are equal. In this case three force terms, the Stokes drag, the added mass, and the history drag must all be included in predicting particle movement. We have developed diagnostic recording methods using holography to save all of the particle field data, allowing the experiment to essentially be transferred from space back to earth in what we call the virtual apparatus for on-earth microgravity experimentation. We can quantify precisely the three-dimensional motion of sets of particles, allowing us to test and apply the new analytical solutions. We are examining the response of particles up to 2 mm radius to fluid oscillation at frequencies up to 80 Hz with amplitudes up to 200 microns. Ground studies to support the flight development program have employed various schemes to simulate microgravity. One of the most reliable and meaningful methods uses spheres tethered to a fine hair suspended in the fluid. We have also investigated particles with nearly neutral buoyancy. Recordings are made at the peak amplitudes of vibration of the cell providing a measure of the ratio of fluid to particle amplitude. The experiment requires precise location of the particle to within microns during recording, and techniques for achieving this are one of the project challenges. Focused microscopic images and diffraction patterns are used. To make the experiment more versatile, the spaceflight system will record holograms both on film and electronically. A cross correlation procedure enables sub pixel accuracies for electronic recordings, partially accommodating the lower spatial resolution of CCDs. The electronic holograms can be down linked providing real time data. Results of the ground experiments, the flight experiment design, and data analysis procedures are reported.

Trolinger, James↗
NASA NTRS2007

A Study of the Attraction Forces of Lunar Dust Simulant

In previous manned lunar missions little work was done on countermeasures to combat the spread of lunar dust onto equipment and into the habitat because the astronauts were not scheduled to stay on the lunar surface for extended periods of time. However, as NASA prepares to return to the moon for longer durations than before developing materials that can help in the fight against lunar dust is important. The purpose of this project is to examine the attraction forces between lunar dust and various materials in an effort to discover materials which have a low affinity for lunar dust. The adhesion forces present between individual grains of dust and various materials were analyzed using an atomic force microscope (AFM). The AFM probes were calibrated by the added-mass technique to find the spring constant of the cantilever. The probes were modified by attaching a particle of lunar dust stimulant to the cantilever arm. The adhesion force between the dust particle and various materials were determined by analysis of AFM force spectra.

Bradley, Robert Kelley↗
NASA NTRS1994

Effects of Ice-Crystal Structure on Halo Formation: Cirrus Cloud Experimental and Ray-Tracing Modeling Studies

During the 1986 Project FIRE (First International Satellite Cloud Climatology Project Regional Experiment) field campaign, four 22 deg halo-producing cirrus clouds were studied jointly from a ground-based polarization lidar and an instrumented aircraft. The lidar data show the vertical cloud structure and the relative position of the aircraft, which collected a total of 84 slides by impaction, preserving the ice crystals for later microscopic examination. Although many particles were too fragile to survive impaction intact, a large fraction of the identifiable crystals were columns and radial bullet rosettes, with both displaying internal cavitations and radial plate-column combinations. Particles that were solid or displayed only a slight amount of internal structure were relatively rare, which shows that the usual model postulated by halo theorists, i.e., the randomly oriented, solid hexagonal crystal, is inappropriate for typical cirrus clouds. With the aid of new ray-tracing simulations for hexagonal hollow-ended column and bullet-rosette models, we evaluate the effects of more realistic ice-crystal structures on halo formation and lidar depolarization and consider why the common halo is not more common in cirrus clouds.

Sassen, Kenneth↗
DOE OSTI2025

Conformational free energy landscape of a glutamate transporter and microscopic details of its transport mechanism

Removing glutamate from the synaptic cleft is vital for proper function of the brain. Excitatory amino acid transporters mediate this process by uptaking the neurotransmitter from the synaptic cleft back to the cell after its release. The archaeal homolog, Glt Ph , an aspartate transporter fromPyrococcus horikoshii, presents the best structurally characterized model for this family of transporters. In order to transport, Glt Ph undergoes elevator-like conformational changes between inward-facing (IF) and outward-facing (OF) states. Here, we characterize, at an atomic level, the OF⇌IF transition of Glt Ph in differentapo/bound states using a combination of ensemble-based enhanced sampling techniques, employing more than two thousand of coupled simulation replicas of membrane-embedded Glt Ph . The resulting free-energy profiles portray the transition ofapo/bound states as a complex four-stage process, while sodium binding alone locks the structure in one of its states. Along the transition, the transport domain (TD) disengages from the scaffold domain (SD), allowing it to move as a piston sliding vertically with respect to the membrane during the elevator-like motion of TD. Lipid interactions with residues comprising the SD–TD interface directly influence the large-scale conformational changes and, consequently, the energetics of transport. Structural intermediates formed during the transition leak water molecules and may correlate to the uncoupled Cl − ion conductance observed experimentally in both prokaryotic and mammalian glutamate transporters. Mechanistic insights obtained from our study provide a structural framework for better development of therapeutic for neurological disorders.

Science & Technology - Other Topics↗
DOE OSTI2025

Critical fluid dynamics in two and three dimensions

We describe a numerical method for simulating stochastic fluid dynamics near a critical point in the Ising universality class. This theory is known as model H, and is expected to govern the nonequilibrium dynamics of quantum chromodynamics (QCD) near a possible critical endpoint of the phase transition between a hadron liquid and the quark-gluon plasma. The numerical algorithm is based on a Metropolis scheme, and automatically ensures that the distribution function of the hydrodynamic variables in equilibrium is independent of the transport coefficients and only governed by the microscopic free energy. We verify dynamic scaling near the critical point of a two and three-dimensional fluid and extract the associated critical exponent z. Here, we find z≃3 in three dimensions, and z≃2 for a two-dimensional fluid. In a finite system, we observe a crossover between the mean field value z=4 and the true critical exponent z≃3 (z≃2 in d=2). This crossover is governed by the values of the correlation length and the renormalized shear viscosity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1995

Plume Particle Collection and Sizing from Static Firing of Solid Rocket Motors

Thermal radiation from the plume of any solid rocket motor, containing aluminum as one of the propellant ingredients, is mainly from the microscopic, hot aluminum oxide particles in the plume. The plume radiation to the base components of the flight vehicle is primarily determined by the plume flowfield properties, the size distribution of the plume particles, and their optical properties. The optimum design of a vehicle base thermal protection system is dependent on the ability to accurately predict this intense thermal radiation using validated theoretical models. This article describes a successful effort to collect reasonably clean plume particle samples from the static firing of the flight simulation motor (FSM-4) on March 10, 1994 at the T-24 test bed at the Thiokol space operations facility as well as three 18.3% scaled MNASA motors tested at NASA/MSFC. Prior attempts to collect plume particles from the full-scale motor firings have been unsuccessful due to the extremely hostile thermal and acoustic environment in the vicinity of the motor nozzle.

Sambamurthi, Jay K.↗
NASA NTRS2003

Combining Multiple Gyroscope Outputs for Increased Accuracy

A proposed method of processing the outputs of multiple gyroscopes to increase the accuracy of rate (that is, angular-velocity) readings has been developed theoretically and demonstrated by computer simulation. Although the method is applicable, in principle, to any gyroscopes, it is intended especially for application to gyroscopes that are parts of microelectromechanical systems (MEMS). The method is based on the concept that the collective performance of multiple, relatively inexpensive, nominally identical devices can be better than that of one of the devices considered by itself. The method would make it possible to synthesize the readings of a single, more accurate gyroscope (a virtual gyroscope) from the outputs of a large number of microscopic gyroscopes fabricated together on a single MEMS chip. The big advantage would be that the combination of the MEMS gyroscope array and the processing circuitry needed to implement the method would be smaller, lighter in weight, and less power-hungry, relative to a conventional gyroscope of equal accuracy. The method (see figure) is one of combining and filtering the digitized outputs of multiple gyroscopes to obtain minimum-variance estimates of rate. In the combining-and-filtering operations, measurement data from the gyroscopes would be weighted and smoothed with respect to each other according to the gain matrix of a minimum- variance filter. According to Kalman-filter theory, the gain matrix of the minimum-variance filter is uniquely specified by the filter covariance, which propagates according to a matrix Riccati equation. The present method incorporates an exact analytical solution of this equation.

Bayard, David S.↗
DOE OSTI2026

Imaging of a van der Waals spin-orbit torque system using spin ensembles in hBN

Recently, optically active spin defects embedded in two-dimensional (2D) van der Waals (vdW) crystals have emerged as a transformative quantum sensing platform to explore cutting-edge materials science. Taking advantage of excellent solid-state integrability, this new class of spin defects can be readily arranged in nanoscale proximity to target materials, showing great promise for realizing in-situ quantum sensing of microscopic spin and charge behaviors in vdW heterostructures. Here we report hexagonal boron nitride-based quantum imaging of field-free deterministic magnetic switching and electric current distributions in an all-vdW spin-orbit torque (SOT) system. By visualizing variations of nanoscale magnetic stray field profile of room-temperature 2D magnet Fe 3 GaTe 2 under different SOT conditions, we show how the magnetic switching evolves from deterministic to stochastic behavior due to the interplay between spin orientations, anisotropy and Joule heating. Micromagnetic simulations rationalize our results well, revealing the role of field-like SOT in inhibiting thermal fluctuation driven stochastic switching and chaotic multi-domain competition. This understanding, which is otherwise difficult to access by conventional transport measurements, offers valuable insights into material design, testing, and performance evaluation of next-generation vdW spintronic devices.

Imaging techniques↗
NASA NTRS1999

Testing and Analysis of Composite Skin/Stringer Debonding Under Multi-Axial Loading

Damage mechanisms in composite bonded skin/stringer constructions under uniaxial and biaxial (in-plane/out- of-plane) loading conditions were examined. Specimens consisted of a tapered composite flange bonded onto a composite skin. Tests were performed under monotonic loading conditions in tension, three-point bending, and combined tension/bending . For combined tension/bending testing, a unique servohydraulic load frame was used that was capable of applying both in-plane tension and out-of-plane bending loads simultaneously. Specimen edges were examined on the microscope to document the damage occurrence and to identify typical damage patterns. The observations showed that, for all three load cases, failure initiated in the flange, near the flange tip, causing the flange to almost fully debond from the skin. A two-dimensional plane-strain finite element model was developed to analyze the different test cases using a geometrically nonlinear solution. For all three loading conditions, principal stresses exceeded the transverse strength of the material in the flange area. Additionally, delaminations of various lengths were simulated in two locations where delaminations were observed. The analyses showed that unstable delamination propagation is likely to occur in one location at the loads corresponding to matrix ply crack initiation for all three load cases.

Krueger, Ronald↗
DOE OSTI2025

Interface magnetism in vanadium-doped MoS 2 /graphene heterostructures

Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic properties of heterostructures composed of graphene and MoS 2 considering the influence of point defects and vanadium doping. It is found that the concentration of the dopants and the types of defects can result in induced magnetic moments leading to ferromagnetically polarized systems with sharp interfaces. This provides a framework for interpreting the experimental observations of enhanced ferromagnetism in both MoS 2 /graphene and V-doped MoS 2 /graphene heterostructures. The computed electronic and spin polarizations give a microscopic understanding of the origin of ferromagnetism in these systems and illustrate how doping and defect engineering can lead to targeted property tunability. Our work has demonstrated that through defects engineering, ferromagnetism can be achieved in V-doped MoS2/graphene heterostructures, providing a potential way to induce magnetization in other TMDC/graphene materials and opening new opportunities for their applications in nano-spintronics.

36 MATERIALS SCIENCE↗
NASA NTRS2005

MOVPE of GaSb/InGaAsSb Multilayers and Fabrication of Dual Band Photodetectors

Metalorganic vapor phase epitaxy (MOVPE) of GaSb/InGaAsSb multilayer thin films and fabrication of bias-selectable dual band photodetectors are reported. For the dual band photodetectors the short wavelength detector, or the upper p- GaSb/n-GaSb junction photodiode, is placed optically ahead of the long wavelength one, or the lower photodiode. The latter is based on latticed-matched In0.13Ga0.87As0.11Sb0.89 with bandgap near 0.6 eV. Specifically, high quality multilayer thin films are grown sequentially from top to bottom as p+-GaSb/p-GaSb/n-GaSb/n-InGaAsSb/p-InGaAsSb/p-GaSb on undoped p-type GaSb substrate, and as n-GaSb/p-GaSb/p-InGaAsSb/n-InGaAsSb/n-GaSb on Te-doped n-type GaSb substrate respectively. The multilayer thin films are characterized by optical microscope, atomic force microscope (AFM), electron microprobe analyses etc. The photodiode mesa steps are patterned by photolithography with wet chemical etching and the front metallization is carried out by e-beam evaporation with Pd/Ge/Au/Ti/Au to give ohmic contact on both n- and p-type Sb based layer surfaces. Dark I-V measurements show typical diode behavior for both the upper and lower photodiodes. The photoresponsivity measurements indicate that both the upper and lower photodiodes can sense the infrared illumination corresponding to their cutoff wavelengths respectively, comparable with the simulation results. More work is underway to bring the long wavelength band to the medium infrared wavelength region near 4 micrometers.

Xiao, Ye-Gao↗
DOE OSTI2024

Stress localization investigation of additively manufactured GRCop-42 thin-wall structure

A full-field crystal plasticity (CP) framework is presented for the GRCop-42 alloy to study microscopic mechanical behavior and local stress heterogeneities. The microstructures of additively manufactured (AM) materials are often unique relative to conventionally processed materials, and the local thermal histories drive these differences during the build process. These thermal histories depend on the process parameters (laser power, scan speed, and scan strategy) and the part geometry. Prior research has shown that the mechanical properties of thin-walled structures can vary significantly with wall thickness due to changes in the thermal boundary conditions during manufacturing. It is, therefore, desirable to perform CP simulations based on the phenomenological constitutive model to predict the local mechanical responses induced by microstructural heterogeneities. This work generates representative microstructures based on experimentally collected grain information (i.e., texture) for grain scale stress analysis, and the material constitutive parameters are calibrated using the experimental mechanical testing data. Here, we specifically investigated the effect of crystallographic texture and grain morphologies on the size-dependent mechanical properties of AM GRCop-42. The selection of appropriate material properties for implementing an effective free surface boundary condition and the influence of adjacent buffer layers are also discussed. Analysis of local field results reveals a strong correlation between stress localization and the initial grain orientation. However, no significant relationship between the misorientation of the individual adjacent grains and the average misorientation is observed.

36 MATERIALS SCIENCE↗