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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Model Parameter Development for Complex Materials: Species-Specific Diffusion Barriers in 316 Stainless Steel from Systematic DFT Calculations

Vacancy-mediated diffusion barriers in 316 stainless steel have been systematically calculated using density functional theory to provide essential parameters for mesoscale microstructure evolution models. A statistical sampling approach employing 210 nudged elastic band calculations across multiple special quasi-random structures captures the effects of local chemical environments in this concentrated alloy. The computational methodology addresses challenges specific to chemically disordered systems, including proper magnetic treatment throughout multi-step calculations and validation against experimental structural properties. The calculated activation barriers reveal clear species-dependent diffusion behavior with the hierarchy Ni >> Fe ˜ Cr >> Mo. Nickel exhibits the highest barriers (0.74–1.31 eV, mean 1.045 eV), confirming its role as the slowest-diffusing major component. Iron and chromium show similar moderate barriers averaging 0.587 eV and 0.522 eV, respectively. Remarkably, molybdenum demonstrates exceptionally low barriers (0.12–0.28 eV, mean 0.194 eV), suggesting much higher mobility than previously recognized and potentially significant implications for precipitation kinetics and microstructure evolution. The barrier ranges remain consistent across different 316 SS compositions, supporting parameter transferability for modeling applications. The overall mean barrier of 0.64 eV provides a practical approximation for phase field simulations, while species-specific values enable detailed treatments of diffusion-controlled processes. This systematic approach establishes a validated framework for generating diffusion parameters in other concentrated alloys where experimental data are limited, while providing the first systematic set of species-specific barriers for predictive modeling of 316 stainless steel microstructure evolution.

36 MATERIALS SCIENCE↗
NASA NTRS1991

The spatial distribution and time evolution of impact-generated magnetic fields

The production of magnetic fields was revealed by laboratory hypervelocity impacts in easily vaporized targets. As quantified by pressure measurements, high frame-rate photography, and electrostatic probes, these impacts tend to produce large quantities of slightly ionized vapor, which is referred to as impact-generated plasma. Nonaligned electron density and temperature gradients within this plasma may lead to production of the observed magnetic fields. Past experiments were limited to measuring a single component of the impact-generated magnetic fields at only a few locations about the developing impact crater and consequently gave little information about the field production mechanism. To understand this mechanism, the techniques were extended to map the three components of the magnetic field both in space and time. By conducting many otherwise identical experiments with arrayed magnetic detectors, a preliminary 3-D picture was produced of impact-generated magnetic fields as they develop through time.

Crawford, D. A.↗
NASA NTRS2012

SN 1987 A: A Unique Laboratory for Shock Physics

Supernova 1987 A has given us an unprecedented view of the evolution of the explosion debris and its interaction with circumstellar matter. The outer supernova debris, now expanding with velocities approx.8000 km/s, encountered the relatively dense circumstellar ring formed by presupernova mass loss in the early 1990s. The shock interaction is manifested by UV-optical "hotspots", an expanding X-ray ring, an expanding ring of knotty non-thermal radio emission, and a ring of thermal IR emission from silicate dust Recent ultraviolet observations of the emissions from the reverse shock and the ring with the HST/COS reveal new details about the shock interaction. Lyman alpha emission from the reverse shock is much stronger than H alpha and they have different emission morphologies, pointing to different emission mechanisms. The reverse shock was detected for the first time in C IV 1550. The N V to C IV brightness ratio indicates the N/C abundance ratio in the expanding debris is about 100X solar, about 3X N/C in the inner ring.

Sonneborn, George↗
DOE OSTI2025

HPC for optimizing process parameters to control material evolution in seamless induction hardening of wind turbine main shaft bearings

Work proposed in this project focused on understanding the effect of martensitic transformation in the steel on the potential for cracking during seamless induction hardening (SIH) as a function of process conditions to allow the process to optimally scale up. Large-scale, three-dimensional phase-field simulations of martensitic transformation were performed using MEUMAPPS-SS (Microstructure Evolution Using Massively Parallel Phase-field Simulations – Solid State) code developed at Oak Ridge National Laboratory. The simulations were guided by location-specific thermal history generated by experimental measurements of time-temperature history generated at The Timken Company. The simulations were able to capture the morphological evolution of the martensite variants in an Fe-1.0C-1.5Cr steel based on the Nishiyama-Wasserman (NW) orientation relationship. The simulations were also able to quantify the stress-state at the interface between impinging martensite variants. The simulations indicated that the magnitude of the various stress and strain components were dependent on the sizes of the impinging plates with a reduction in these quantities with reduced plate size in agreement with experimental findings. The results obtained from the simulations will be used to guide the optimization of the alloy thermal conditions to eliminate quench cracking during SIH of bearing steels.

17 WIND ENERGY↗
DOE OSTI2024

Radiation-induced alteration of apatite on the surface of Mars: first in situ observations with SuperCam Raman onboard Perseverance

Abstract Planetary exploration relies considerably on mineral characterization to advance our understanding of the solar system, the planets and their evolution. Thus, we must understand past and present processes that can alter materials exposed on the surface, affecting space mission data. Here, we analyze the first dataset monitoring the evolution of a known mineral target in situ on the Martian surface, brought there as a SuperCam calibration target onboard the Perseverance rover. We used Raman spectroscopy to monitor the crystalline state of a synthetic apatite sample over the first 950 Martian days (sols) of the Mars2020 mission. We note significant variations in the Raman spectra acquired on this target, specifically a decrease in the relative contribution of the Raman signal to the total signal. These observations are consistent with the results of a UV-irradiation test performed in the laboratory under conditions mimicking ambient Martian conditions. We conclude that the observed evolution reflects an alteration of the material, specifically the creation of electronic defects, due to its exposure to the Martian environment and, in particular, UV irradiation. This ongoing process of alteration of the Martian surface needs to be taken into account for mineralogical space mission data analysis.

Science & Technology - Other Topics↗
DOE OSTI2022

In vitro investigation of protein assembly by combined microscopy and infrared spectroscopy at the nanometer scale

The nanoscale structure and dynamics of proteins on surfaces has been extensively studied using various imaging techniques, such as transmission electron microscopy and atomic force microscopy (AFM) in liquid environments. These powerful imaging techniques, however, can potentially damage or perturb delicate biological material and do not provide chemical information, which prevents a fundamental understanding of the dynamic processes underlying their evolution under physiological conditions. Here, we use a platform developed in our laboratory that enables acquisition of infrared (IR) spectroscopy and AFM images of biological material in physiological liquids with nanometer resolution in a cell closed by atomically thin graphene membranes transparent to IR photons. In this work, we studied the self-assembly process of S-layer proteins at the graphene-aqueous solution interface. The graphene acts also as the membrane separating the solution containing the proteins and Ca 2+ ions from the AFM tip, thus eliminating sample damage and contamination effects. The formation of S-layer protein lattices and their structural evolution was monitored by AFM and by recording the amide I and II IR absorption bands, which reveal the noncovalent interaction between proteins and their response to the environment, including ionic strength and solvation. Our measurement platform opens unique opportunities to study biological material and soft materials in general.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Evolution of radiative thermal instability in a confined medium

Thermally bistable fluid tends to self-organize into clouds of hot and cold material, which are internally uniform and separated by thin conduction fronts. The evolution of these clouds has been studied for isobaric systems, but when pressure is instead treated as a dynamical quantity and allowed to evolve self-consistently, fundamentally different dynamics appear. Such a treatment is necessary in some laboratory plasmas, whose volume is constrained but whose pressure can vary. Here, solutions are derived for the evolution of clouds, accounting for pressure variation and interactions between conduction fronts. Additional stable configurations and secondary instabilities are derived, which may be relevant to fusion plasmas and to the study of photoionized plasma in the laboratory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2012

Organic Synthesis via Irradiation and Warming of Ice Grains in the Solar Nebula

Complex organic compounds, including many important to life on Earth, are commonly found in meteoritic and cometary samples, though their origins remain a mystery. We examined whether such molecules could be produced within the solar nebula by tracking the dynamical evolution of ice grains in the nebula and recording the environments they were exposed to. We found that icy grains originating in the outer disk, where temperatures were less than 30 K, experienced UV irradiation exposures and thermal warming similar to that which has been shown to produce complex organics in laboratory experiments. These results imply that organic compounds are natural byproducts of protoplanetary disk evolution and should be important ingredients in the formation of all planetary systems, including our own.

Ciesla, Fred J.↗
DOE OSTI2017

Detailed assessment of diesel spray atomization models using visible and X-ray extinction measurements

The physical mechanisms characterizing the breakup of a diesel spray into droplets are still unknown. This gap in knowledge has largely been due to the challenges of directly imaging this process or quantitatively measuring the outcomes of spray breakup, such as droplet size. Recent x-ray measurements by Argonne National Laboratory, utilized in this work, provide needed information about the spatial evolution of droplet sizes in selected regions of the spray under a range of injection pressures (50–150 MPa) and ambient densities (7.6–22.8 kg/m3) relevant for diesel operating conditions. Ultra-small angle x-ray scattering (USAXS) measurements performed at the Advanced Photon Source are presented, which quantify Sauter mean diameters (SMD) within optically thick regions of the spray that are inaccessible by conventional droplet sizing measurement techniques, namely in the near-nozzle region, along the spray centerline, and within the core of the spray. To quantify droplet sizes along the periphery of the spray, a complementary technique is proposed and introduced, which leverages the ratio of path-integrated x-ray and visible laser extinction (SAMR) measurements to quantify SMD. The SAMR and USAXS measurements are then utilized to evaluate current spray models used for engine computational fluid dynamic (CFD) simulations. We explore the ability of a carefully calibrated spray model, premised on aerodynamic wave growth theory, to capture the experimentally observed trends of SMD throughout the spray. The spray structure is best predicted with an aerodynamic primary and secondary breakup process that is represented with a slower time constant and larger formed droplet size than conventionally recommended for diesel spray models. Additionally, spray model predictions suggest that droplet collisions may not influence the resultant droplet size distribution along the spray centerline in downstream regions of the spray.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Microscopic optical potentials for medium-mass isotopes derived at the first order of Watson multiple-scattering theory

We perform a first-principles calculation of optical potentials for nucleon elastic scattering off medium-mass isotopes. Fully based on a saturating chiral Hamiltonian, the optical potentials are derived by folding nuclear density distributions computed with self-consistent Green's function theory with a nucleon-nucleon t matrix computed with a consistent chiral interaction. The dependence on the folding interaction as well as the convergence of the target densities are investigated. Numerical results are presented and discussed for differential cross sections and analyzing powers, with focus on elastic proton scattering off calcium and nickel isotopes. Our optical potentials generally show a remarkable agreement with the available experimental data for laboratory energies in the range 65–200 MeV. We study the evolution of the scattering observables with increasing proton-neutron asymmetry by computing theoretical predictions of the cross section and analyzing power over the calcium and nickel isotopic chains. Published by the American Physical Society 2024

Physics↗
DOE OSTI2017

Cometary Materials Originating from Interstellar Ices: Clues from Laboratory Experiments

We use laboratory experiments to derive information on the chemistry occurring during the evolution of astrophysical ices from dense molecular clouds to interplanetary objects. Through a new strategy that consists of coupling very high resolution mass spectrometry and infrared spectroscopy (FT-IR), we investigate the molecular content of the organic residues synthesized from different initial ice compositions. We also obtain information on the evolution of the soluble part of the residues after their over-irradiation. The results give insight into the role of water ice as a trapping and diluting agent during the chemical evolution. They also give information about the importance of the amount of ammonia in such ices, particularly regarding its competition with the carbon chemistry. All of these results allow us to build a first mapping of the evolution of soluble organic matter based on its chemical and physical history. Furthermore, our results suggest that interstellar ices should lead to organic materials enriched in heteroatoms that present similarities with cometary materials but strongly differ from meteoritic organic material, especially in their C/N ratios.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Theoretical studies in isoelectric focusing

A mathematical model has been developed which describes the steady state in an isoelectric focusing (IEF) system with ampholytes or monovalent buffers. The model is based on the fundamental equations describing the component dissociation equilibria, mass transport due to diffusion and electromigration, electroneutrality, and the conservation of charge. The validity and usefulness of the model has been confirmed by using it to formulate buffer systems in actual laboratory experiments. The model has been recently extended to include the evolution of transient states not only in IEF but also in other modes of electrophoresis.

Mosher, R. A.↗
NASA NTRS1988

Photometry of Pluto-Charon mutual events and Hirayama family asteroids

Once every 124 years, nature provides earth-bound astronomers with the opportunity to observe occultation and transit phenomena between Pluto and its satellite, Charon. Ground-based observations of these events will allow precise physical parameters for the Pluto-Charon system to be derived which are unlikely to be improved upon until in situ spacecraft observations are obtained. The proposed program will continue to support photometry observations from McDonald Observatory, a critical location in an international Pluto Campaign network. Knowledge of the diameters, masses, densities, and compositions derived from these observations will augment our understanding of Pluto's origin and its context within the problem of solar system formation. A second task will continue to research the evolutionary processes which have occurred in the asteroid belt by measuring the physical properties of specific Hirayama family members. Photoelectric lightcurve observations of Koronis and Themis family members will be used to investigate the individual catastrophic collision events which formed each family. By comparing these properties with results of laboratory and numerical experiments, the outcomes of catastrophic disruptions and collisional evolution may be more precisely determined.

Binzel, Richard P.↗
NASA NTRS1991

Volcanic aerosols: Chemistry, evolution, and effects

Stratospheric aerosols have been the subject of scientific speculation since the 1880s, when the powerful eruption of Krakatoa attracted worldwide attention to the upper atmosphere through spectacular optical displays. The presence of a permanent tenuous dust layer in the lower stratosphere was postulated in the 1920s following studies of the twilight glow. Junge collected the first samples of these 'dust' particles and demonstrated that they were actually composed of sulfates, most likely concentrated sulfuric acid (Junge and Manson, 1961; Junge, 1963). Subsequent research has been spurred by the realization that stratospheric particles can influence the surface climate of earth through their effects on atmospheric radiation. Such aerosols can also influence, through chemical and physical effects, the trace composition of the atmosphere, ozone concentrations, and atmospheric electrical properties. The properties of stratospheric aerosols (both the background particles and those enhanced by volcanic eruptions) were measured in situ by balloon ascents and high altitude aircraft sorties. The aerosols were also observed remotely from the ground and from satellites using both active (lidar) and passive (solar occultation) techniques (remote sensing instruments were carried on aircraft and balloon platforms as well). In connection with the experimental work, models were developed to test theories of particle formation and evolution, to guide measurement strategies, to provide a means of connecting laboratory and field data, and to apply the knowledge gained to answer practical questions about global changes in climate, depletion of the ozone layer, and related environmental problems.

Turco, Richard↗
NASA NTRS2009

Connecting Research and Practice: An Experience Report on Research Infusion with SAVE

NASA systems need to be highly dependable to avoid catastrophic mission failures. This calls for rigorous engineering processes including meticulous validation and verification. However, NASA systems are often highly distributed and overwhelmingly complex, making the software portion of these systems challenging to understand, maintain, change, reuse, and test. NASA's systems are long-lived and the software maintenance process typically constitutes 60-80% of the total cost of the entire lifecycle. Thus, in addition to the technical challenges of ensuring high life-time quality of NASA's systems, the post-development phase also presents a significant financial burden. Some of NASA's software-related challenges could potentially be addressed by some of the many powerful technologies that are being developed in software research laboratories. Many of these research technologies seek to facilitate maintenance and evolution by for example architecting, designing and modeling for quality, flexibility, and reuse. Other technologies attempt to detect and remove defects and other quality issues by various forms of automated defect detection, architecture analysis, and various forms of sophisticated simulation and testing. However promising, most such research technologies nevertheless do not make the transition from the research lab to the software lab. One reason the transition from research to practice seldom occurs is that research infusion and technology transfer is difficult. For example, factors related to the technology are sometimes overshadowed by other types of factors such as reluctance to change and therefore prohibits the technology from sticking. Successful infusion might also take very long time. One famous study showed that the discrepancy between the conception of the idea and its practical use was 18 years plus or minus three. Nevertheless, infusing new technology is possible. We have found that it takes special circumstances for such research infusion to succeed: 1) there must be evidence that the technology works in the practitioner's particular domain, 2) there must be a potential for great improvements and enhanced competitive edge for the practitioner, 3) the practitioner has to have strong individual curiosity and continuous interest in trying out new technologies, 4) the practitioner has to have support on multiple levels (i.e. from the researchers, from management, from sponsors etc), and 5) to remain infused, the new technology has to be integrated into the practitioner's processes so that it becomes a natural part of the daily work. NASA IV&V's Research Infusion initiative sponsored by NASA's Office of Safety & Mission Assurance (OSMA) through the Software Assurance Research Program (SARP), strives to overcome some of the problems related to research infusion.

Lindvall, Mikael↗
NASA NTRS2014

Eta Carinae and Its Ejecta, the Homunculus

Eta Carinae (Eta Car), its interacting winds and historical ejecta provide an unique astrophysical laboratory that permits addressing a multitude of questions ranging from stellar evolution, colliding winds, chemical enrichment, nebular excitation to the formation of molecules and dust. Every 5.54 years, Eta Car changes from high excitation to several-months-long low excitation caused by modulation of the massive interacting winds due to a very eccentric binary orbit. The surrounding Homunculus (Figure 1) and Little Homunculus, thrown out in the 1840s Great Eruption and the 1890s Lesser Eruption, respond to the changing flux, providing clues to many physical phenomena of great interest to astrophysicists.

Eta Carinae↗