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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Structure, Dynamics, and Hydrogen Transport in Amorphous Polymers: An Analysis of the Interplay between Free Volume Element Distribution and Local Segmental Dynamics from Molecular Dynamics Simulations

Polymers are attractive membrane materials owing to their mechanical robustness and relatively inexpensive fabrication. An important indicator of membrane performance are free volume elements (FVE): microporous void spaces created by the inefficient packing of bulky groups along the polymer chain. FVEs tend to degrade over time, as polymer chains reorganize irreversibly. While it is widely accepted that polymer flexibility has an impact on membrane transport properties, the molecular nature of this impact is still not well understood. By the establishment of a correlation between local chain dynamics and the distribution of free volume elements (FVEs), penetrant transport can be regulated more efficiently in amorphous polymer membranes. In this work, we implement all-atom molecular dynamics (MD) simulations to explore the relationship between chain dynamics and free volume in three polymers with different levels of backbone flexibility: polymethylpentene (PMP), polystyrene (PS), and HAB-6FDA thermally rearranged polymer (TRP). We construct these polymers at different temperatures and examine how temperature impacts the FVE distribution and segmental mobility. Our analysis shows that chain segments near FVEs have higher mobility compared with the atoms in the bulk; the extent of this difference increases with chain flexibility. Increasing the chain flexibility by increasing the temperature results in a broader FVE distribution. Rigid polymers such as TRP show the most robust FVE distribution and are not significantly affected by the temperature change. To capture penetrant diffusion through the polymer matrix, hydrogen is inserted and the diffusion is measured at different temperatures; hydrogen mobility is influenced by the FVE structure and overall mobility of polymer chains. Lastly, at low temperatures, hydrogen mobility is influenced by void distribution, while at high temperatures, polymer dynamics dictate hydrogen transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Post-Marcus Theory and Simulation of Interfacial Charge Transfer Dynamics in Organic Semiconducting Materials (Final Report)

The research program developed, validated and applies predictive computational protocols for calculating charge transfer (CT) rates in complex molecular systems, including molecular dyads and triads in liquid solution and solid-state organic semiconducting (OSC) materials. We have established a transformative computational scheme that goes beyond widely used simplifications, to achieve realistic descriptions of CT processes. The approach properly addresses the contribution of molecular environment at ambient conditions to CT processes. Our approach achieves unique insight on investigated CT processes in relevant experimental efforts. The collaborative team included three principal investigators (PIs), with complimentary expertise in classical molecular dynamics simulations and data science (Cheung), state-of-the-art electronic structure calculations (Dunietz), and cutting-edge theory and simulation techniques for modeling energy, charge and coherence transfer dynamics in molecular systems (Geva).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Research and test facilities

A description is given of each of the following Langley research and test facilities: 0.3-Meter Transonic Cryogenic Tunnel, 7-by 10-Foot High Speed Tunnel, 8-Foot Transonic Pressure Tunnel, 13-Inch Magnetic Suspension & Balance System, 14-by 22-Foot Subsonic Tunnel, 16-Foot Transonic Tunnel, 16-by 24-Inch Water Tunnel, 20-Foot Vertical Spin Tunnel, 30-by 60-Foot Wind Tunnel, Advanced Civil Transport Simulator (ACTS), Advanced Technology Research Laboratory, Aerospace Controls Research Laboratory (ACRL), Aerothermal Loads Complex, Aircraft Landing Dynamics Facility (ALDF), Avionics Integration Research Laboratory, Basic Aerodynamics Research Tunnel (BART), Compact Range Test Facility, Differential Maneuvering Simulator (DMS), Enhanced/Synthetic Vision & Spatial Displays Laboratory, Experimental Test Range (ETR) Flight Research Facility, General Aviation Simulator (GAS), High Intensity Radiated Fields Facility, Human Engineering Methods Laboratory, Hypersonic Facilities Complex, Impact Dynamics Research Facility, Jet Noise Laboratory & Anechoic Jet Facility, Light Alloy Laboratory, Low Frequency Antenna Test Facility, Low Turbulence Pressure Tunnel, Mechanics of Metals Laboratory, National Transonic Facility (NTF), NDE Research Laboratory, Polymers & Composites Laboratory, Pyrotechnic Test Facility, Quiet Flow Facility, Robotics Facilities, Scientific Visualization System, Scramjet Test Complex, Space Materials Research Laboratory, Space Simulation & Environmental Test Complex, Structural Dynamics Research Laboratory, Structural Dynamics Test Beds, Structures & Materials Research Laboratory, Supersonic Low Disturbance Pilot Tunnel, Thermal Acoustic Fatigue Apparatus (TAFA), Transonic Dynamics Tunnel (TDT), Transport Systems Research Vehicle, Unitary Plan Wind Tunnel, and the Visual Motion Simulator (VMS).

Source record↗
NASA NTRS1990

Aeolian Removal of Dust Types from Photovoltaic Surfaces on Mars

Dust elevated in local or global dust storms on the Martian surface could settle on photovoltaic (PV) surfaces and seriously hamper their performance. Using a recently developed technique to apply a uniform dust layer, PV surface materials were subjected to simulated Martian winds in an attempt to determine whether natural Aeolian processes on Mars would sweep off the settled dust. Three different types of dust were used; an optical polishing powder, basaltic "trap rock", and iron (III) oxide crystals. The effects of wind velocity, angle of attack, height above the Martian surface, and surface coating material were investigated. It was found that arrays mounted with an angle of attack approaching 45 degrees show the most efficient clearing. Although the angular dependence is not sharp, horizontally mounted arrays required significantly higher wind velocities to clear off the dust. From this test it appears that the arrays may be erected quite near the ground, but previous studies have suggested that saltation effects can be expected to cause such arrays to be covered by soil if they are set up less than about a meter from the ground. Particle size effects appear to dominate over surface chemistry in these experiments, but additional tests are required to confirm this. Providing that the surface chemistry of Martian dusts is not drastically different from simulated dust and that gravity differences have only minor effects, the materials used for protective coatings for photovoltaic arrays may be optimized for other considerations such as transparency, and chemical or abrasion resistance. The static threshold velocity is low enough that there are regions on Mars which experience winds strong enough to clear off a photovoltaic array if it is properly oriented. Turbulence fences proved to be an ineffective strategy to keep dust cleared from the photovoltaic surfaces.

Gaier, James R.↗
DOE OSTI2024

The Effects of Material-Filled Voids on Detonation Wave Shape in Rubberized RDX Explosives

The sensitivity of explosives is affected by inhomogeneities within the material. This is evident in the increased shock sensitivity of explosives with slightly lower densities resulting from an increased number of hotspots. The influence of hotspots on explosive initiation has been well studied; however, few studies have been conducted on the effect of intermediate-sized voids (0.1–10 mm) on a propagating detonation wave. Cylindrical voids filled with air have been studied for diameters ranging from 0.3 mm to 0.8 mm for both 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) and 1,3,5-trinitro-1,3,5-triazinane (RDX)-based rubberized explosives. Continuing the investigation into single cylindrical voids, this study examined the effects of 0.5 mm diameter voids filled with different inert cylindrical metals on the detonation wave shape for an RDX-based rubberized explosive. The metals selected for experiments were 1066 aluminum, brass, copper, and tungsten. The propagation of the detonation wave was captured using a digital streak camera. Experimental results showed that the extent of detonation wave shaping was closely tied to the density differential between the bulk explosive and metal insert. Forty-four different filler materials, including non-metals, were simulated using a hydrodynamic code to further analyze material inclusion effects. The main factors hypothesized to be of interest were bulk sound speed, shock impedance, and filler material density. We found that the local detonation delay could be correlated fairly well to a ratio of bulk sound speed and density. Understanding the influence of material inclusions on detonation performance and wave shape allows for tailoring of detonations.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Diabatic error and propagation of Majorana zero modes in interacting quantum dots systems

Motivated by recent experimental progress in realizing Majorana zero modes (MZMs) using quantum dot systems, we investigate the diabatic errors associated with the movement of those MZMs. The movement is achieved by tuning time-dependent gate potentials applied to individual quantum dots, effectively creating a moving potential wall. To probe the optimized movement of MZMs, we calculate the experimentally accessible time-dependent fidelity and local density-of-states using many-body time-dependent numerical methods. Furthermore, our analysis reveals that an optimal potential wall height is crucial to preserve the well-localized nature of the MZM during its movement. Moreover, we analyze diabatic errors in realistic quantum-dot systems, incorporating the effects of repulsive Coulomb interactions and disorder in both hopping and pairing terms. Additionally, we provide a comparative study of diabatic errors arising from the simultaneous versus sequential tuning of multiple gates during the MZMs movement. Finally, we estimate the timescale required for MZM transfer in a six-quantum-dot system, demonstrating that MZM movement is feasible and can be completed well within the qubit's operational lifetime in practical quantum-dot setups.

Density of states↗
DOE OSTI2025

X-ray and Neutron Radiography for Quantitative Material Reconstructions

Radiography is a powerful tool to determine the interior structure of objects. X-ray radiography is widely used and provides high-resolution images, though X-rays have limited transmission through materials of high atomic number (Z) and density. In contrast, neutrons can penetrate many materials that are heavily attenuating to X-rays, such as metals, providing contrast in the inner layers of highly attenuating items. Past work has shown the value in using both X-ray and neutron radiography for estimating material thicknesses, though that work was limited to simulated data. Here, we demonstrate quantitative material reconstructions using experimental X-ray and neutron radiography data from lab-based systems, accurately modeling radiography system responses to within a few percent to enable quantitative measures of material thickness. We demonstrate the utility of neutron radiography and X-ray radiography for these quantitative reconstructions and introduce methods for using their complementarity to improve image quality and optimize experimental design.

Gilbert, Andrew J.↗
NASA NTRS1992

Synergistic effects of ultraviolet radiation, thermal cycling, and atomic oxygen on altered and coated Kapton surfaces

The photovoltaic (PV) power system for Space Station Freedom (SSF) uses solar array blankets which provide structural support for the solar cells and house the electrical interconnections. In the low Earth orbital (LEO) environment where SSF will be located, surfaces will be exposed to potentially damaging environmental conditions including solar ultraviolet (UV) radiation, thermal cycling, and atomic oxygen. It is necessary to use ground based tests to determine how these environmental conditions would affect the mass loss and optical properties of candidate SSF blanket materials. Silicone containing, silicone coated, and SiO(x) coated polyimide film materials were exposed to simulated LEO environmental conditions to determine there durability and whether the environmental conditions of UV, thermal cycling and oxygen atoms act synergistically on these materials. A candidate PV blanket material called AOR Kapton, a polysiloxane polyimide cast from a solution mixture, shows an improvement in durability to oxygen atoms erosion after exposure to UV radiation or thermal cycling combined with UV radiation. This may indicate that the environmental conditions react synergistically with this material, and the damage predicted by exposure to atomic oxygen alone is more severe than that which would occur in LEO where atomic oxygen, thermal cycling and UV radiation are present together.

Dever, Joyce A.↗
NASA NTRS1992

Synergistic effects of ultraviolet radiation, thermal cycling and atomic oxygen on altered and coated Kapton surfaces

The photovoltaic (PV) power system for Space Station Freedom (SSF) uses solar array blankets which provide structural support for the solar cells and house the electrical interconnections. In the low earth orbital (LEO) environment where SSF will be located, surfaces will be exposed to potentially damaging environmental conditions including solar ultraviolet (UV) radiation, thermal cycling, and atomic oxygen. It is necessary to use ground based tests to determine how these environmental conditions would affect the mass loss and optical properties of candidate SSF blanket materials. Silicone containing, silicone coated, and SiO(x) coated polyimide film materials were exposed to simulated LEO environmental conditions to determine their durability and whether the environmental conditions of UV, thermal cycling and oxygen atoms act synergistically on these materials. A candidate PV blanket material called AOR Kapton, a polysiloxane polyimide cast from a solution mixture, shows an improvement in durability to oxygen atoms erosion after exposure to UV radiation or thermal cycling combined with UV radiation. This may indicate that the environmental conditions react synergistically with this material, and the damage predicted by exposure to atomic oxygen alone is more severe than that which would occur in LEO where atomic oxygen, thermal cycling and UV radiation are present together.

Dever, Joyce A.↗
NASA NTRS2022

High-Vacuum Triboelectric Charging of Space Materials

In the high-vacuum environment of space and the surface of the moon, static electricity on surfaces lacks the atmospheric dissipation mechanisms found on earth. As a result, the ubiquitous triboelectric charging mechanism can lead to high levels of charge on surfaces. This static charge can result in damage to sensitive devices, interfere with communications, and electrostatic levitation of lunar dust. At the NASA Electrostatics and Surface Physics Laboratory (ESPL), we use different apparatuses and techniques to tribo-charge materials in high-vacuum (10-5 torr), including a tribo-robot and a triboelectric regolith-material stage (TRMS). The tribo-robot is used to rub two materials together, and fieldmeters and electrometers can be used to determine how much charge is on the materials. The TRMS is used to drag different materials onto a bed of lunar simulant. This system is used to characterize how materials may interact with lunar dust using fieldmeters, electrometers, and laser scattering. Using these methods, we are building a database of how different space materials charge when contacting each other at high-vacuum, and how materials triboelectrically interact with the lunar surface.

Joseph Toth↗
NASA NTRS2006

Vibrational Spectroscopy after OSU - From C2- to Interstellar Polycyclic Aromatic Hydrocarbons

The composition of interstellar ice and dust provides insight into the chemical history of the interstellar medium and early solar system. It is now possible to probe this unique and unusual chemistry and determine the composition of these microscopic interstellar particles which are hundreds to many thousands of light years away thanks to substantial progress in two areas: astronomical spectroscopic techniques in the middle-infrared, the spectral region most diagnostic of chemical composition, and laboratory simulations which realistically reproduce the critical conditions in various interstellar environments. High quality infrared spectra of many different astronomical sources, some associated with giant, dark molecular clouds -the birthplace of stars and planets- and others in more tenuous, UV radiation rich regions are now available. The fundamentals of IR spectroscopy and what comparisons of astronomical IR spectra with laboratory spectra of materials prepared under realistic simulated interstellar conditions tell us about the components of these materials is the subject of this talk. These observations have shown that mixed molecular ices comprised of H2O, CH3OH, CO, NH3 and H2CO contain most of the molecular material in molecular clouds and that gas phase, ionized polycyclic aromatic hydrocarbons (PAHs) are widespread and surprisingly abundant throughout most of the interstellar medium.

Allamandola, Louis J.↗
DOE OSTI2022

A combined experimental and numerical approach that eliminates the non-uniqueness associated with the Johnson-Cook parameters obtained using inverse methods

Abstract Johnson-Cook constitutive model is a commonly used material model for machining simulations. The model includes five parameters that capture the initial yield stress, strain-hardening, strain-rate hardening, and thermal softening behavior of the material. These parameters are difficult to determine using experiments since the conditions observed during machining (such as high strain-rates of the order of $$10^5$$ 10 5 /sec - $$10^6$$ 10 6 /sec) are challenging to recreate in the laboratory. To address this problem, several researchers have recently proposed inverse approaches where a combination of experiments and analytical models are used to predict the Johnson-Cook parameters. The errors between the measured cutting forces, chip thicknesses and temperatures and those predicted by analytical models are minimized and the parameters are determined. In this work, it is shown that only two of the five Johnson-Cook parameters can be determined uniquely using inverse approaches. Two different algorithms, namely, Adaptive Memory Programming for Global Optimization (AMPGO) and Particle Swarm Optimization (PSO), are used for this purpose. The extended Oxley’s model is used as the analytical tool for optimization. For determining a parameter’s value, a large range for each parameter is provided as an input to the algorithms. The algorithms converge to several different sets of values for the five Johnson-Cook parameters when all the five parameters are considered as unknown in the optimization algorithm. All of these sets, however, yield the same chip shape and cutting forces in FEM simulations. Further analyses show that only the strain-rate and thermal softening parameters can be determined uniquely and the three parameters present in the strain-hardening term of the Johnson-Cook model cannot be determined uniquely using the inverse method. A combined experimental and numerical approach is proposed to eliminate this determine all parameters uniquely.

42 ENGINEERING↗
NASA NTRS2008

Thermal Barrier and Protective Coatings to Improve the Durability of a Combustor Under a Pulse Detonation Engine Environment

Pulse detonation engine (PDE) concepts are receiving increasing attention for future aeronautic propulsion applications, due to their potential thermodynamic cycle efficiency and higher thrust to density ratio that lead to the decrease in fuel consumption. But the resulting high gas temperature and pressure fluctuation distributions at high frequency generated with every detonation are viewed to be detrimental to the combustor liner material. Experimental studies on a typical metal combustion material exposed to a laser simulated pulse heating showed extensive surface cracking. Coating of the combustor materials with low thermal conductivity ceramics is shown to protect the metal substrate, reduce the thermal stresses, and hence increase the durability of the PDE combustor liner material. Furthermore, the temperature fluctuation and depth of penetration is observed to decrease with increasing the detonation frequency. A crack propagation rate in the coating is deduced by monitoring the variation of the coating apparent thermal conductivity with time that can be utilized as a health monitoring technique for the coating system under a rapid fluctuating heat flux.

Ghosn, Louis J.↗
DOE OSTI2021

MOSAIC: An Effective FFT-based Numerical Method to Assess Aging Properties of Concrete

As the nuclear fleet in the United States ages and subsequent license renewal applications grow, the prediction of concrete durability at extended operation becomes more important. To address this issue, a Fast-Fourier Transform (FFT) method is utilized to simulate aging-related degradation of concrete within the Microstructure Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) software. MOSAIC utilizes compositional phase maps to simulate damage from radiation-induced volumetric expansion (RIVE), applied force, creep, and thermal expansion. This compositional detail allows each mineral in the microstructure to be assigned specific material properties, allowing the simulation to be as accurate and representative as possible. The principal goal of MOSAIC is to simulate the effects of nonlinear aging mechanisms occurring in nuclear concrete on the macroscopic mechanical properties, using only the aggregate microstructure compositional information as a starting point. Here, several realistic example simulations are shown to demonstrate the utility and uniqueness of the MOSAIC software.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Effects of atomic oxygen and ultraviolet radiation on candidate elastomeric materials for long duration missions. Test series no.1

Research was conducted at MSFC on the behavior of elastomeric materials after exposure to simulated space environment. Silicone S383 and Viton V747 samples were exposed to thermal vacuum, ultraviolet radiation, and atomic oxygen and then evaluated for changes in material properties. Characterization of the elastomeric materials included weight, hardness, optical inspection under normal and black light, spectrofluorescence, solar absorptance and emittance, Fourier transform infrared spectroscopy, and permeability. These results indicate a degree of sensitivity to exposure and provided some evidence of UV and atomic oxygen synergism.

Linton, R. C.↗
NASA NTRS2003

Arc Jet Testing of Hafnium Diboride Based Ultra High Temperature Ceramics

Hafnium Diboride (HFB,) based materials have shown promise for use in a number of high temperature aerospace applications, including rocket nozzles and as leading edges on hypersonic reentry vehicles. The stability of the materials in relevant environments is key to determining their suitability for a particular application. In this program we have been developing HfB2/SiC materials for use as sharp leading edges. The program as a whole included processing and characterization of the HfBJSiC materials. The specific work discussed here will focus on studies of the materials oxidation behavior in simulated reentry environments through arc jet testing. Four flat face models were tested to examine the influence of heat flux and stagnation pressure on the materials oxidation behavior. The results from arc jet testing of two HfB2/SiC cone models will also be discussed. Each cone model was run multiple times with gradually increasing heat fluxes. Total run times on a single cone model exceeded 80 minutes. For both the flat face and cone models surface temperatures well in excess of 2200 C were measured. Post test microstructural examination of the models and correlations with measured temperatures will be discussed.

Ellerby, Don↗
NASA NTRS2014

Multiscale Analysis of Structurally-Graded Microstructures Using Molecular Dynamics, Discrete Dislocation Dynamics and Continuum Crystal Plasticity

A multiscale modeling methodology is developed for structurally-graded material microstructures. Molecular dynamic (MD) simulations are performed at the nanoscale to determine fundamental failure mechanisms and quantify material constitutive parameters. These parameters are used to calibrate material processes at the mesoscale using discrete dislocation dynamics (DD). Different grain boundary interactions with dislocations are analyzed using DD to predict grain-size dependent stress-strain behavior. These relationships are mapped into crystal plasticity (CP) parameters to develop a computationally efficient finite element-based DD/CP model for continuum-level simulations and complete the multiscale analysis by predicting the behavior of macroscopic physical specimens. The present analysis is focused on simulating the behavior of a graded microstructure in which grain sizes are on the order of nanometers in the exterior region and transition to larger, multi-micron size in the interior domain. This microstructural configuration has been shown to offer improved mechanical properties over homogeneous coarse-grained materials by increasing yield stress while maintaining ductility. Various mesoscopic polycrystal models of structurally-graded microstructures are generated, analyzed and used as a benchmark for comparison between multiscale DD/CP model and DD predictions. A final series of simulations utilize the DD/CP analysis method exclusively to study macroscopic models that cannot be analyzed by MD or DD methods alone due to the model size.

Saether, Erik↗