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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Lanthanide transport in angstrom-scale MoS 2 -based two-dimensional channels

Rare earth elements (REEs), critical to modern industry, are difficult to separate and purify, given their similar physicochemical properties originating from the lanthanide contraction. Here, we systematically study the transport of lanthanide ions (Ln 3+ ) in artificially confined angstrom-scale two-dimensional channels using MoS 2 -based building blocks in an aqueous environment. The results show that the uptake and permeability of Ln 3+ assume a well-defined volcano shape peaked at Sm 3+ . This transport behavior is rooted from the tradeoff between the barrier for dehydration and the strength of interactions of lanthanide ions in the confinement channels, reminiscent of the Sabatier principle. Molecular dynamics simulations reveal that Sm 3+ , with moderate hydration free energy and intermediate affinity for channel interaction, exhibit the smallest dehydration degree, consequently resulting in the highest permeability. Our work not only highlights the distinct mass transport properties under extreme confinement but also demonstrates the potential of dialing confinement dimension and chemistry for greener REEs separation.

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

Exascale Dislocation Simulator

ExaDiS, or Exascale Dislocation Simulator, is a set of software modules written to enable numerical simulations of large groups of moving and interacting dislocations, line defects in crystals responsible for crystal plasticity. By tracking time evolution of sufficiently large dislocation ensembles, ExaDiS predicts plasticity response and plastic strength of crystalline materials. ExaDiS is built around a library of core functions for Discrete Dislocation Dynamics method specifically written to perform efficient computations on GPUs.

Bertin, Nicolas↗
DOE OSTI2020

Doubly-Charged Negative Ions as Novel Tunable Catalysts: Graphene and Fullerene Molecules Versus Atomic Metals

The fundamental mechanism underlying negative-ion catalysis involves bond-strength breaking in the transition state (TS). Doubly-charged atomic/molecular anions are proposed as novel dynamic tunable catalysts, as demonstrated in water oxidation into peroxide. Density Functional Theory TS calculations have found a tunable energy activation barrier reduction ranging from 0.030 eV to 2.070 eV, with Si 2– , Pu 2– , Pa 2– and Sn 2– being the best catalysts; the radioactive elements usher in new application opportunities. C 60 2– significantly reduces the standard C 60 – TS energy barrier, while graphene increases it, behaving like cationic systems. According to their reaction barrier reduction efficiency, variation across charge states and systems, rank-ordered catalysts reveal their tunable and wide applications, ranging from water purification to biocompatible antiviral and antibacterial sanitation systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Simplified unsteady aerodynamic concepts, with application to parameter estimation

A simplified aerodynamic force model based on the physical principle of Prandtl's lifting line theory and trailing vortex concept has been developed to account for unsteadiness in the aircraft dynamics. The wake is assumed to be compressed to a single shed vortex element of appropriate strength moving downstream at a speed sufficient to approximate the Wagner function. Results are presented illustrating the ability of the simplified theory to duplicate exact solutions in unsteady aerodynamics. Further, consideration is given to the utility of the model in a parameter identification application.

Wells, W. R.↗
NASA NTRS1978

Ion beam sputter etching and deposition of fluoropolymers

Fluoropolymer etching and deposition techniques including thermal evaporation, RF sputtering, plasma polymerization, and ion beam sputtering are reviewed. Etching and deposition mechanism and material characteristics are discussed. Ion beam sputter etch rates for polytetrafluoroethylene (PTFE) were determined as a function of ion energy, current density and ion beam power density. Peel strengths were measured for epoxy bonds to various ion beam sputtered fluoropolymers. Coefficients of static and dynamic friction were measured for fluoropolymers deposited from ion bombarded PTFE.

Banks, B. A.↗
NASA NTRS1978

Ion beam sputter etching and deposition of fluoropolymers

Fluoropolymer etching and deposition techniques including thermal evaporation, RF sputtering, plasma polymerization, and ion beam sputtering are reviewed. Etching and deposition mechanisms and material characteristics are discussed. Ion beam sputter etch rates for polytetrafluoroethylene (PTFE) were determined as a function of ion energy, current density and ion beam power density. Peel strengths were measured for epoxy bonds to various ion beam sputtered fluoropolymers. Coefficients of static and dynamic friction were measured for fluoropolymers deposited from ion bombarded PTFE.

Banks, B. A.↗
NASA NTRS1984

Interplanetary field enhancements in the solar wind Statistical properties at 0.72 AU

A new class of disturbance in the interplanetary magnetic field has been discovered. This disturbance consists of an enhancement in the magnetic field strength lasting tens of minutes to hours. The strength of the enhancement is variable ranging up to over double the background field strength. The peak field pressure can be as high as 10 percent of the solar wind dynamic pressure. These events occur randomly with respect to the position of the spacecraft relative to Venus but not randomly with respect to Venus solar ecliptic longitude. There is a significant tendency for these events to cluster near certain ecliptic longitudes. The field distortion is often greater in the direction perpendicular to the solar wind flow rather than along it. These characteristics suggest that the source of the disturbances are weakly outgassing objects, possibly dispersed along their orbits such as in meteor streams.

Russell, C. T.↗
NASA NTRS1991

Computational simulation of acoustic fatigue for hot composite structures

This paper presents predictive methods/codes for computational simulation of acoustic fatigue resistance of hot composite structures subjected to acoustic excitation emanating from an adjacent vibrating component. Select codes developed over the past two decades at the NASA Lewis Research Center are used. The codes include computation of (1) acoustic noise generated from a vibrating component, (2) degradation in material properties of the composite laminate at use temperature, (3) dynamic response of acoustically excited hot multilayered composite structure, (4) degradation in the first-ply strength of the excited structure due to acoustic loading, and (5) acoustic fatigue resistance of the excited structure, including propulsion environment. Effects of the laminate lay-up and environment on the acoustic fatigue life are evaluated. The results show that, by keeping the angled plies on the outer surface of the laminate, a substantial increase in the acoustic fatigue life is obtained. The effect of environment (temperature and moisure) is to relieve the residual stresses leading to an increase in the acoustic fatigue life of the excited panel.

Singhal, S. N.↗
NASA NTRS1998

X-33 Integrated Test facility, Extended Range Simulation

In support of the X-33 Single Stage To Orbit program, NASA Dryden Flight Research Center was selected to provide continuous communications coverage of the X-33 vehicle from launch, through landing at Malmstrom Air Force Base, Montana and Michaels Army Air Field, Utah. An extensive real-time range simulation capability is being developed to ensure successful communications with the autonomous X-33 vehicle. This paper will provide an overview of the various levels of simulation being developed to support the X-33 extended range subsystems. These subsystems include the Flight Termination System, L-Band command uplink subsystem and the S-Band telemetry downlink subsystem. In addition, the radar model developed provides continuous azimuth, elevation and range information based on the flight trajectory. The Dynamic Ground Station Analysis model developed by NASA Goddard Space Flight Center, calculate the received signal strength at each ground station. This model takes into consideration Radio Frequency (RF) link parameters such as frequency, antenna gain, space loss, plasma effects and the vehicle's position and attitude at any point in time during the flight path. All three RF links are then attenuated based on this calculated level and the RF signals are sent into telemetry receivers to emulate remote sites, or the power incident on the vehicle from uplinked signals. The best source received telemetry data is then passed back to the Launch and Mission Control Monitoring System (LMCMS) resident in the Operations Control Center. The LMCMS also provides the range simulation system the uplink command combined with differential GPS corrections. Later stages will require the progressive integration of actual range hardware with this simulation effort, leading to communication between telemetry, uplink and FTS antennas at NASA Dryden Flight Research Center, with vehicle antennas mounted on the Walter C. Williams Research Aircraft Integration Facility (RAIF). Decommutated Pulse Code Modulated (PCM) data is displayed on one of the four monitors that comprise the Range Safety Officer's (RSO) station. Also displayed are instantaneous impact prediction models, and Federal Aviation Administration (FAA) data for notification of other traffic in the area. Aside from initiating the flight termination command and validating communication links, the RSO station with the range simulation will be used to provide both range control and range safety officers training. The training is necessary to perform their respective functions with greater levels of confidence prior to first flight.

Sharma, Ashley↗
NASA NTRS2000

Computational Nanotechnology of Materials, Devices, and Machines: Carbon Nanotubes

The mechanics and chemistry of carbon nanotubes have relevance for their numerous electronic applications. Mechanical deformations such as bending and twisting affect the nanotube's conductive properties, and at the same time they possess high strength and elasticity. Two principal techniques were utilized including the analysis of large scale classical molecular dynamics on a shared memory architecture machine and a quantum molecular dynamics methodology. In carbon based electronics, nanotubes are used as molecular wires with topological defects which are mediated through various means. Nanotubes can be connected to form junctions.

Srivastava, Deepak↗
NASA NTRS2001

Transient Reliability Analysis Capability Developed for CARES/Life

The CARES/Life software developed at the NASA Glenn Research Center provides a general-purpose design tool that predicts the probability of the failure of a ceramic component as a function of its time in service. This award-winning software has been widely used by U.S. industry to establish the reliability and life of a brittle material (e.g., ceramic, intermetallic, and graphite) structures in a wide variety of 21st century applications.Present capabilities of the NASA CARES/Life code include probabilistic life prediction of ceramic components subjected to fast fracture, slow crack growth (stress corrosion), and cyclic fatigue failure modes. Currently, this code can compute the time-dependent reliability of ceramic structures subjected to simple time-dependent loading. For example, in slow crack growth failure conditions CARES/Life can handle sustained and linearly increasing time-dependent loads, whereas in cyclic fatigue applications various types of repetitive constant-amplitude loads can be accounted for. However, in real applications applied loads are rarely that simple but vary with time in more complex ways such as engine startup, shutdown, and dynamic and vibrational loads. In addition, when a given component is subjected to transient environmental and or thermal conditions, the material properties also vary with time. A methodology has now been developed to allow the CARES/Life computer code to perform reliability analysis of ceramic components undergoing transient thermal and mechanical loading. This means that CARES/Life will be able to analyze finite element models of ceramic components that simulate dynamic engine operating conditions. The methodology developed is generalized to account for material property variation (on strength distribution and fatigue) as a function of temperature. This allows CARES/Life to analyze components undergoing rapid temperature change in other words, components undergoing thermal shock. In addition, the capability has been developed to perform reliability analysis for components that undergo proof testing involving transient loads. This methodology was developed for environmentally assisted crack growth (crack growth as a function of time and loading), but it will be extended to account for cyclic fatigue (crack growth as a function of load cycles) as well.

Nemeth, Noel N.↗
NASA NTRS2011

The Functional Task Test (FTT): An Interdisciplinary Testing Protocol to Investigate the Factors Underlying Changes in Astronaut Functional Performance

Exposure to space flight causes adaptations in multiple physiological systems including changes in sensorimotor, cardiovascular, and neuromuscular systems. These changes may affect a crewmember s ability to perform critical mission tasks immediately after landing on a planetary surface. The overall goal of this project is to determine the effects of space flight on functional tests that are representative of high priority exploration mission tasks and to identify the key underlying physiological factors that contribute to decrements in performance. To achieve this goal we developed an interdisciplinary testing protocol (Functional Task Test, FTT) that evaluates both astronaut functional performance and related physiological changes. Functional tests include ladder climbing, hatch opening, jump down, manual manipulation of objects and tool use, seat egress and obstacle avoidance, recovery from a fall and object translation tasks. Physiological measures include assessments of postural and gait control, dynamic visual acuity, fine motor control, plasma volume, orthostatic intolerance, upper- and lower-body muscle strength, power, endurance, control, and neuromuscular drive. Crewmembers perform this integrated test protocol before and after short (Shuttle) and long-duration (ISS) space flight. Data are collected on two sessions before flight, on landing day (Shuttle only) and 1, 6 and 30 days after landing. Preliminary results from both Shuttle and ISS crewmembers indicate decrement in performance of the functional tasks after both short and long-duration space flight. On-going data collection continues to improve the statistical power required to map changes in functional task performance to alterations in physiological systems. The information obtained from this study will be used to design and implement countermeasures that specifically target the physiological systems most responsible for the altered functional performance associated with space flight.

Bloomberg, J. J.↗
NASA NTRS2012

Photogrammetric and Global Positioning System Measurements of Active Pahoehoe Lava Lobe Emplacement on Kilauea, Hawaii

Basalt is the most common rock type on the surface of terrestrial bodies throughout the solar system and -- by total volume and areal coverage -- pahoehoe flows are the most abundant form of basaltic lava in subaerial and submarine environments on Earth. A detailed understanding of pahoehoe emplacement processes is necessary for developing accurate models of flow field development, assessing hazards associated with active lava flows, and interpreting the significance of lava flow morphology on Earth and other planetary bodies. Here, we examine the active emplacement of pahoehoe lobes along the margins of the Hook Flow from Pu'u 'O'o on Kilauea, Hawaii. Topographic data were acquired between 21 and 23 February 2006 using stereo-imaging and differential global positing system (DGPS) measurements. During this time, the average discharge rate for the Hook Flow was 0.01-0.05 cubic m/s. Using stereogrammetric point clouds and interpolated digital terrain models (DTMs), active flow fronts were digitized at 1 minute intervals. These areal spreading maps show that the lava lobe grew by a series of breakouts tha t broadly fit into two categories: narrow (0.2-0.6 m-wide) toes that grew preferentially down-slope, and broad (1.4-3.5 m-wide) breakouts that formed along the sides of the lobe, nearly perpendicular to the down-flow axis. These lobes inflated to half of their final thickness within approx 5 minutes, with a rate of inflation that generally deceased with time. Through a combination of down-slope and cross-slope breakouts, lobes developed a parabolic cross-sectional shape within tens of minutes. We also observed that while the average local discharge rate for the lobe was generally constant at 0.0064 +/- 0.0019 cubic m/s, there was a 2 to 6 fold increase in the areal coverage rate every 4.1 +/- 0.6 minutes. We attribute this periodicity to the time required for the dynamic pressurization of the liquid core of the lava lobe to exceed the cooling-induced strength of the lobe margins. Using DGPS-derived DTMs of the topography before and after pahoehoe lobe emplacement, we observed that the lava typically concentrated within existing topographic lows, with the lobe reaching a maximum thickness of approx 1.2 m above the lowest points of the initial topography and above reverse-facing slopes. Lobe margins were typically controlled by high-standing topography, with the zone directly adjacent to the final flow margin having average relief that is approx 4 cm higher than the lava-inundated region. This suggests that irregularities approx 25% of the height of the smallest breakout elements (i.e., toes) can exert a strong control on the paths of low-discharge pahoehoe lobes, with stagnated toes forming confining margins that allow interior portions of flow to topographically invert the landscape by inflation.

Hamilton, Christopher W.↗
NASA NTRS2021

A Robust Hybrid Deep Learning Model for Spatiotemporal Image Fusion

Dense time-series remote sensing data with detailed spatial information are highly desired for the monitoring of dynamic earth systems. Due to the sensor tradeoff, most remote sensing systems cannot provide images with both high spatial and temporal resolutions. Spatiotemporal image fusion models provide a feasible solution to generate such a type of satellite imagery, yet existing fusion methods are limited in predicting rapid and/or transient phenological changes. Additionally, a systematic approach to assessing and understanding how varying levels of temporal phenological changes affect fusion results is lacking in spatiotemporal fusion research. The objective of this study is to develop an innovative hybrid deep learning model that can effectively and robustly fuse the satellite imagery of various spatial and temporal resolutions. The proposed model integrates two types of network models: super-resolution convolutional neural network (SRCNN) and long short-term memory (LSTM). SRCNN can enhance the coarse images by restoring degraded spatial details, while LSTM can learn and extract the temporal changing patterns from the time-series images. To systematically assess the effects of varying levels of phenological changes, we identify image phenological transition dates and design three temporal phenological change scenarios representing rapid, moderate, and minimal phenological changes. The hybrid deep learning model, alongside three benchmark fusion models, is assessed in different scenarios of phenological changes. Results indicate the hybrid deep learning model yields significantly better results when rapid or moderate phenological changes are present. It holds great potential in generating high-quality time-series datasets of both high spatial and temporal resolutions, which can further benefit terrestrial system dynamic studies. The innovative approach to understanding phenological changes’ effect will help us better comprehend the strengths and weaknesses of current and future fusion models.

spatiotemporal fusion↗
DOE OSTI2020

Dynamics for El Niño-La Niña asymmetry constrain equatorial-Pacific warming pattern

The El Niño-Southern Oscillation (ENSO) results from the instability of and also modulates the strength of the tropical-Pacific cold tongue. While climate models reproduce observed ENSO amplitude relatively well, the majority still simulates its asymmetry between warm (El Niño) and cold (La Niña) phases very poorly. The causes of this major deficiency and consequences thereof are so far not well understood. Analysing both reanalyses and climate models, we here show that simulated ENSO asymmetry is largely proportional to subsurface nonlinear dynamical heating (NDH) along the equatorial Pacific thermocline. Most climate models suffer from too-weak NDH and too-weak linear dynamical ocean-atmosphere coupling. Nevertheless, a sizeable subset (about 1/3) having relatively realistic NDH shows that El Niño-likeness of the equatorial-Pacific warming pattern is linearly related to ENSO amplitude change in response to greenhouse warming. Therefore, better simulating the dynamics of ENSO asymmetry potentially reduces uncertainty in future projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Empirically Optimized One-Electron Pseudopotential for the Hydrated Electron: A Proof-of-Concept Study

Mixed quantum-classical molecular dynamics simulations have been important tools for studying the hydrated electron. They generally use a one-electron pseudopotential to describe the interactions of an electron with the water molecules. Furthermore, this approximation shows both the strength and weakness of the approach. On the one hand, it enables extensive statistical sampling and large system sizes that are not possible with more accurate ab initio molecular dynamics methods. On the other hand, there has (justifiably) been much debate about the ability of pseudopotentials to accurately and quantitatively describe the hydrated electron properties. These pseudopotentials have largely been derived by fitting them to ab initio calculations of an electron interacting with a single water molecule. In this paper, we present a proof-of-concept demonstration of an alternative approach in which the pseudopotential parameters are determined by optimizing them to reproduce key experimental properties. Specifically, we develop a new pseudopotential, using the existing TBOpt model as a starting point, which correctly describes the hydrated electron vertical detachment energy and radius of gyration. In addition to these properties, this empirically optimized model displays a significantly modified solvation structure, which improves, for example, the prediction of the partial molar volume.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1974

Investigation of fatigue strength of multilayer advanced fiber composites

The analytical characterization of a multilayer fiber composite plate (without hole) was accomplished for both static and dynamic loading conditions using the finite difference technique. Thornel 300/5208 composites with and without holes were subjected to static and tensile fatigue testing. Five (5) fiber orientations were submitted to test. Tensile fatigue testing also included three (3) loading conditions and two (2) frequencies. The low-cycle test specimens demonstrated a shorter tensile fatigue life than the high-cycle test specimens. Failure surfaces demonstrated effect of testing conditions. Secondary failure mechanisms, such as: delamination, fiber breakage, and edge fiber delamination were present. Longitudinal delamination between plies also occurred in these specimens.

Thornton, H. R.↗
DOE OSTI2024

Grain boundary self-diffusion and point defect interactions in α -U via molecular dynamics

Though metallic U-Zr fuel has been used in nuclear reactors since the 1960s, many of its fundamental and thermodynamic properties are still unknown. The a-U phase, which has a highly anisotropic crystal structure and physical properties, is present in U-Zr fuel. The character and behavior of a-U grain boundaries will strongly impact fuel thermophysical performance under irradiation. Here, we study the interaction of point defects with grain boundaries, diffusion along grain boundaries, and the predicted diffusional creep behavior of a-U via molecular dynamics. We calculate the segregation energy of vacancies and interstitials to grain boundaries and quantify the biased sink strength of the grain boundaries, and observe that this sink strength is not strongly dependent on the grain boundary orientation. We also find that grain boundary diffusivity is strongly dependent on the grain boundary energy and grain boundary orientation. The presence of point defects within the grain boundary can induce diffusion in grain boundaries with low formation energies and can enhance diffusion in high-energy grain boundaries. We also find that diffusional creep of a-U at prototypical metallic fuel operation conditions is extremely high and could help explain observed metallic fuel swelling behaviors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗