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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Multiphysics and Multiscale Modeling of Coupled Transport of Chloride Ions in Concrete

Chloride ions (Cl−)-induced corrosion is one of the main degradation mechanisms in reinforced concrete (RC) structures. In most situations, the degradation initiates with the transport of Cl− from the surface of the concrete towards the reinforcing steel. The accumulation of Cl− at the steel-concrete interface could initiate reinforcement corrosion once a threshold Cl− concentration is achieved. An accurate numerical model of the Cl− transport in concrete is required to predict the corrosion initiation in RC structures. However, existing numerical models lack a representation of the heterogenous concrete microstructure resulting from the varying environmental conditions and the indirect effect of time dependent temperature and relative humidity (RH) on the water adsorption and Cl− binding isotherms. In this study, a numerical model is developed to study the coupled transport of Cl− with heat, RH and oxygen (O2) into the concrete. The modeling of the concrete microstructure is performed using the Virtual Cement and Concrete Testing Laboratory (VCCTL) code developed by the U.S. National Institute of Standards and Technology (NIST). The concept of equivalent maturation time is utilized to eliminate the limitation of simulating concrete microstructure using VCCTL in specific environmental conditions such as adiabatic. Thus, a time-dependent concrete microstructure, which depends on the hydration reactions coupled with the temperature and RH of the environment, is achieved to study the Cl− transport. Additionally, Cl− binding isotherms, which are a function of the pH of the concrete pore solution, Cl− concentration, and weight fraction of mono-sulfate aluminate (AFm) and calcium-silicate-hydrate (C-S-H), obtained from an experimental study by the same authors are utilized to account for the Cl− binding of cement hydration products. The temperature dependent RH diffusion was considered to account for the transport of Cl− with moisture transport. The temperature and RH diffusion in the concrete domain, composite theory, and Cl− binding and water adsorption isotherms are used in combination, to estimate the ensuing Cl− diffusion field within the concrete. The coupled transport process of heat, RH, Cl−, and O2 is implemented in the Multiphysics Object-Oriented Simulation Environment (MOOSE) developed by the U.S. Idaho National Laboratory (INL). The model was verified and validated using data from multiple experimental studies with different concrete mixture proportions, curing durations, and environmental conditions. Additionally, a sensitivity analysis was performed to identify that the water-to-cement (w/c) ratio, the exposure duration, the boundary conditions: temperature, RH, surface Cl− concentration, Cl− diffusion coefficient in the capillary water, and the critical RH are the important parameters that govern the Cl− transport in RC structures. In a case study, the capabilities of the developed numerical model are demonstrated by studying the complex 2D diffusion of Cl− in a RC beam located in two different climatic regions: warm and humid weather in Galveston, Texas, and cold and dry weather in North Minnesota, Minnesota, subjected to time varying temperature, RH, and surface Cl− concentrations.

composite theory↗
DOE OSTI2013

Exchange and spin states in quantum dots under strong spatial correlations. Computer simulation by the Feynman path integral method

The fundamental laws in the behavior of electrons in model quantum dots that are caused by exchange and strong Coulomb correlations are studied. The ab initio path integral method is used to numerically simulate systems of two, three, four, and six interacting identical electrons confined in a three-dimensional spherical potential well with a parabolic confining potential against the background of thermal fluctuations. The temperature dependences of spin and collective spin magnetic susceptibility are calculated for model quantum dots of various spatial sizes. A basically exact procedure is proposed for taking into account the permutation symmetry and the spin state of electrons, which makes it possible to perform numerical calculations using modern computer facilities. The conditions of applicability of a virial energy estimator and its optimum form in exchange systems are determined. A correlation estimator of kinetic energy, which is an alternative to a basic estimator, is suggested. A fundamental relation between the kinetic energy of a quantum particle and the character of its virtual diffusion in imaginary time is demonstrated. The process of natural 'pairing' of electron spins during the compression of a quantum dot and cooling of a system is numerically reproduced in terms of path integrals. The temperature dependences of the spin magnetic susceptibility of electron pairs with a characteristic maximum caused by spin pairing are obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Time-dependent of characteristics of Cu/CuS/n-GaAs/In structure produced by SILAR method

Highlights: • The CuS thin film used at Cu/n-GaAs structure is grown by SILAR method. • There has been no report on ageing of characteristics of this junction in the literature. • The properties of Cu/CuS/n-GaAs/In structure are examined with different methods. • It has been shown that Cu/CuS/n-GaAs/In structure has a stable interface. - Abstract: The aim of this study is to explain effects of the ageing on the electrical properties of Cu/n-GaAs Shottky barrier diode with Copper Sulphide (CuS) interfacial layer. CuS thin films are deposited on n-type GaAs substrate by Successive Ionic Layer Adsorption and Reaction (SILAR) method at room temperature. The structural and the morphological properties of the films have been carried out by Scanning Electron Microscopy (SEM) and X-Ray Diffraction (XRD) techniques. The XRD analysis of as-grown films showed the single-phase covellite, with hexagonal crystal structure built around two preferred orientations corresponding to (102) and (108) atomic planes. The ageing effects on the electrical properties of Cu/CuS/n-GaAs/In structure have been investigated. The current–voltage (I–V) measurements at room temperature have been carried out to study the change in electrical characteristics of the devices as a function of ageing time. The main electrical parameters, such as ideality factor (n), barrier height (Φ{sub b}), series resistance (R{sub s}), leakage current (I{sub 0}), and interface states (N{sub ss}) for this structure have been calculated. The results show that the main electrical parameters of device remained virtually unchanged.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Transducer for extreme temperatures and pressures

Transducer with limits of 500 C and 10 kilobars responds to mechanical vibrations up to 20 kHz. Vibration pickup performs well in nuclear reactors, turbines, and other extreme environments. Low pressure problems of outgassing and "virtual" leakage experienced with conventional transducers potted in epoxy are eliminated with use of glass and metal supports. Interior opens to atmosphere, preventing buildup of pressure-induced stresses. Spring holds transducer against housing, reducing strain distortion.

Nadler, H.↗
DOE OSTI2025

A hybrid surrogate modeling framework for the Digital Twin of a Fluoride-salt-cooled High-temperature Reactor (FHR)

While nuclear energy is a non-greenhouse-gas emitting energy source, expensive operational costs due to the high-level of safety requirements decreases their competitiveness in the sustainable energy market. Advanced reactor concepts paired with Digital Twins aim to increase the commercialization gains of nuclear energy by reducing operational costs, increasing reactor reliability and enhancing power generation. To support Digital Twin tasks such as real-time autonomous control, proactive maintenance monitoring or optimizing power demand operations, a fast and accurate virtual representation of the Nuclear Power Plant (NPP) is required. The computational cost of high-fidelity, physics-based models are unsuitable for real-time analysis or scalability. Here, in this work, a hybrid surrogate modeling framework is developed fora Fluoride-salt-cooled High-temperature Reactor (FHR) that leverages physics-inspired models for key reactor components and uses data-driven methods for rapid system state space prediction. The Xenon reactivity feedback model is integrated to inform the surrogate model about the reactor core and the homologous pump theory model is the basis for representing pump degradation. Using a detailed, two dimensional thermal hydraulics model to generate data on the FHR, we train a network of Vectorized Autoregressive Moving-Average with eXogenous input (VARMAX) models to predict the remaining state values. The result is a surrogate model that provides a detailed reactor state representation of 41 system states and a pump degradation analysis. The framework is applied to Load Follows profiles, yielding high accuracy and a speedup that is more than 4000x faster compared to the higher- fidelity thermal hydraulics model, enabling real-time operational intelligence and applications in long horizon predictions. While the surrogate model framework is demonstrated for the particular case of FHR, the hybrid physical/data-driven modeling approach including the network of surrogates and the underlying modularity has the potential to be applied to other physical asset systems.

Digital Twins↗
DOE OSTI2021

Understanding the plasticity contributions during laser-shock loading and spall failure of Cu microstructures at the atomic scales

A hybrid atomic-scale and continuum modeling framework is used to study the microstructural evolution during the laser-induced shock deformation and failure (spallation) of copper microstructures. A continuum two-temperature model (TTM) is used to account for the interaction of Cu atoms with a laser in molecular dynamics (MD) simulations. The MD-TTM simulations study the effect of laser loading conditions (laser fluence) on the microstructure (defects) evolution during various stages of shock wave propagation, reflection, and interaction in single-crystal (sc) Cu systems. In addition, the role of the microstructure is investigated by comparing the defect evolution and spall response of sc-Cu and nanocrystalline (nc) Cu systems. The defect (stacking faults and twin faults) evolution behavior in the metal at various times is further characterized using virtual in situ selected area electron diffraction and x-ray diffraction during various stages of evolution of microstructure. Here, the simulations elucidate the uncertain relation between spall strength and strain-rate and the much stronger relation between the spall strength and the temperatures generated due to laser shock loading for the small Cu sample dimensions considered here.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Development of isothermal rigs

The results of the Resonant Infrasonic Gauging System (RIGS) development program are reported. The RIGS is a gauging system that is capable of measuring propellant quantity under zero-G as well as under accelerated (one-G) conditions. With the exception of liquid hydrogen, it can be used to gauge virtually any propellant in liquid form including cryogenics. The gauge consists of a sensor unit which is attached to the propellant tank and electronic control unit which may be positioned separately from the sensor. The control unit receives the signals from the sensor as well as the ullage gas pressure and propellant temperature measurements, and computes the propellant quantity remaining in the tank. During the course of this program two prototype RIGS sensors were designed and constructed. The sensors were tested first in the laboratory using water as the simulated propellant and, later, using LN2 in a 100-gallon tank. The system tests proved that the gauge operates virtually as predicted by theory and yielded an accuracy better than 1%.

Kaminskas, R. A.↗
DOE OSTI2016

Magnetic properties of friction stir processed composite

There are many existing inspection systems each with their own advantages and drawbacks. These usually comprise of semi-remote sensors which frequently causes difficulty in reaching complex areas of a component. This study proposes to overcome that difficulty by developing embedded functional composites. Through this route, embedding can be achieved in virtually any component part and can be periodically interrogated by a reading device. The “reinforcement rich” processed areas can then be utilized to record properties like strain, temperature, stress state etc. depending on the reinforcement material. In this work, friction stir processing (FSP) was utilized to fabricate a magnetostrictive composite by embedding galfenol particles into a nonmagnetic aluminum (Al) matrix. It targets to develop a composite that produces strain in a varying magnetic field. Reinforcements were observed to be distributed uniformly in the matrix. Magnetization curves were studied using a vibrating sample magnetometer (VSM). A simple and cheap setup was developed to measure the magnetostrictive strain of the composites. Important factors affecting the magnetic properties were identified and ways to improve the magnetic properties discussed.

Das, Shamiparna↗
NASA NTRS1976

Characteristics of the NASA Lewis bumpy-torus plasma generated with positive applied potentials

Experimental observations were made during steady-state operation of a bumpy-torus plasma at input powers up to 150 kW in deuterium and helium gas and with positive potentials applied to the midplane electrodes. In this steady-state ion heating method a modified Penning discharge is operated such that the plasma is acted upon by a combination of strong electric and magnetic fields. Experimental investigation of a deuterium plasma revealed electron temperatures from 14 to 140 eV and ion kinetic temperatures from 160 to 1785 eV. At least two distinct modes of operation exist. Experimental data shows that the average ion residence time in the plasma is virtually independent of the magnetic field strength. Data was taken when all 12 anode rings were at high voltage, and in other symmetric configurations in which the toroidal plasma was generated by applying positive potentials to six anode rings, three anode rings, and a single anode ring.

Roth, J. R.↗
NASA NTRS1976

Early irradiation of matter in the solar system - Magnesium /proton, neutron/ scheme

The occurrence of positive and negative Mg-26 anomalies in inclusions of the Allende meteorite is explained in terms of proton bombardment of a gas of solar composition. A significant fraction of Mg-26 in the irradiated gas is stored temporarily in the form of radioactive Al-26 by the reaction Mg-26(p, n)Al-26. Proton fluxes of 10 to the 17th power to 10 to the 19th power protons per square centimeter per year at 1 million electron volts are inferred. Aluminum-rich materials condensing from the gas phase have positive Mg-26 anomalies, whereas magnesium-rich materials have negative Mg-26 anomalies. The proton flux required to account for the observed magnesium anomalies is used to investigate possible isotopic anomalies in the elements from oxygen to argon. Detectable isotopic anomalies are predicted only for neon. The anomalous neon is virtually pure Ne-22 from Na-22 decay. The predicted amount of anomalous Ne-22 is about 10 to the -8th power cubic centimeter (at standard temperature and pressure) per milligram of sodium.

Heymann, D.↗
NASA NTRS1990

LaRC-TPI 1500 composites fabricated using an aqueous slurry process

Unidirectional composites from unsized carbon fiber and LaRC-TPI matrix material were fabricated using 'high flow' and'medium flow' grades of the LaRC-TPI 1500 series of polyimides. Prepreg was drum-wound from a slurry composed of the polyimide powder dispersed in an aqueous solution of LaRC-TPI poly(amide acid). The poly(amide acid) was found to be an effective binding agent in the prepregging process. Composite short beam shear and flexure properties were measured at room and elevated temperatures (to 177 C) with both dry and moisture-saturated specimens. The mechanical properties observed for composites fabricated from the high and medium flow materials were virtually identical. Additionally, double cantilever beam measurements showed nearly equivalent fracture toughness for the two composite materials.

Towell, Timothy W.↗
NASA NTRS1994

The Martian atmospheric planetary boundary layer stability, fluxes, spectra, and similarity

This is the first analysis of the high frequency data from the Viking lander and spectra of wind, in the Martian atmospheric surface layer, along with the diurnal variation of the height of the mixed surface layer, are calculated for the first time for Mars. Heat and momentum fluxes, stability, and z(sub O) are estimated for early spring, from a surface temperature model and from Viking Lander 2 temperatures and winds at 44 deg N, using Monin-Obukhov similarity theory. The afternoon maximum height of the mixed layer for these seasons and conditions is estimated to lie between 3.6 and 9.2 km. Estimations of this height is of primary importance to all models of the boundary layer and Martian General Circulation Models (GCM's). Model spectra for two measuring heights and three surface roughnesses are calculated using the depth of the mixed layer, and the surface layer parameters and flow distortion by the lander is also taken into account. These experiments indicate that z(sub O), probably lies between 1.0 and 3.0 cm, and most likely is closer to 1.0 cm. The spectra are adjusted to simulate aliasing and high frequency rolloff, the latter caused both by the sensor response and the large Kolmogorov length on Mars. Since the spectral models depend on the surface parameters, including the estimated surface temperature, their agreement with the calculated spectra indicates that the surface layer estimates are self consistent. This agreement is especially noteworthy in that the inertial subrange is virtually absent in the Martian atmosphere at this height, due to the large Kolmogorov length scale. These analyses extend the range of applicability of terrestrial results and demonstrate that it is possible to estimate the effects of severe aliasing of wind measurements, to produce a models which agree well with the measured spectra. The results show that similarity theory developed for Earth applies to Mars, and that the spectral models are universal.

Tillman, James E.↗
NASA NTRS2001

A Return to Io: Science Goals and Implementation

Io remains one of the most fascinating objects in the solar system: the only place beyond Earth where we can watch hard-rock geology in action. In its high heat flow Io resembles the early Earth, providing a present-day analog to some of the processes that dominated the Earth's geology at the time that life first appeared. Io's usefulness as an early-Earth analog has been underscored recently by the detection of very high eruption temperatures, hotter than terrestrial basaltic lavas. These temperatures are most plausibly interpreted as resulting from ultramafic lava compositions, analagous to the komatiites that were common on Earth in the Precambrian but which have been virtually absent during the Phanerozoic. The large scale of many Io eruptions also provides useful analogs to Phanerozoic terrestrial eruptions, such as flood basalts, which are important for the Earth's geological and biological evolution but which occur too rarely to be witnessed by humans on our own planet. By providing living examples, Io can thus play the same role in understanding large-scale planetary volcanism that volcanically active terrestrial regions have played in understanding the results of smaller-scale volcanic processes seen in the geological record worldwide. Additional information is contained in the original extended abstract.

Spencer, J. R.↗
NASA NTRS2004

Chondrule Crystallization Experiments

Given the great diversity of chondrules, laboratory experiments are invaluable in yielding information on chondrule formation process(es) and for deciphering their initial conditions of formation together with their thermal history. In addition, they provide some critical parameters for astrophysical models of the solar system and of nebular disk evolution in particular (partial pressures, temperature, time, opacity, etc). Most of the experiments simulating chondrules have assumed formation from an aggregate of solid grains, with total pressure of no importance and with virtually no gain or loss of elements from or to the ambient environment. They used pressed pellets attached to wires and suffered from some losses of alkalis and Fe.

Hweins, R. H.↗
NASA NTRS1999

High-Performance Bipropellant Engine

TRW, under contract to the NASA Lewis Research Center, has successfully completed over 10 000 sec of testing of a rhenium thrust chamber manufactured via a new-generation powder metallurgy. High performance was achieved for two different propellants, N2O4- N2H4 and N2O4 -MMH. TRW conducted 44 tests with N2O4-N2H4, accumulating 5230 sec of operating time with maximum burn times of 600 sec and a specific impulse Isp of 333 sec. Seventeen tests were conducted with N2O4-MMH for an additional 4789 sec and a maximum Isp of 324 sec, with a maximum firing duration of 700 sec. Together, the 61 tests totalled 10 019 sec of operating time, with the chamber remaining in excellent condition. Of these tests, 11 lasted 600 to 700 sec. The performance of radiation-cooled rocket engines is limited by their operating temperature. For the past two to three decades, the majority of radiation-cooled rockets were composed of a high-temperature niobium alloy (C103) with a disilicide oxide coating (R512) for oxidation resistance. The R512 coating practically limits the operating temperature to 1370 C. For the Earth-storable bipropellants commonly used in satellite and spacecraft propulsion systems, a significant amount of fuel film cooling is needed. The large film-cooling requirement extracts a large penalty in performance from incomplete mixing and combustion. A material system with a higher temperature capability has been matured to the point where engines are being readied for flight, particularly the 100-lb-thrust class engine. This system has powder rhenium (Re) as a substrate material with an iridium (Ir) oxidation-resistant coating. Again, the operating temperature is limited by the coating; however, Ir is capable of long-life operation at 2200 C. For Earth-storable bipropellants, this allows for the virtual elimination of fuel film cooling (some film cooling is used for thermal control of the head end). This has resulted in significant increases in specific impulse performance (15 to 20 sec). To determine the merits of a powder rhenium thrust chamber, Lewis On-Board Propulsion Branch directed TRW (under the Space Storable Rocket Technology Program and the High Pressure Earth Storable Rocket Technology Program) to design, fabricate, and test an engineering model to serve as a technology demonstrator.

Biaglow, James A.↗
NASA NTRS2007

Testing of the Crew Exploration Vehicle in NASA Langley's Unitary Plan Wind Tunnel

As part of a strategic, multi-facility test program, subscale testing of NASA s Crew Exploration Vehicle was conducted in both legs of NASA Langley s Unitary Plan Wind Tunnel. The objectives of these tests were to generate aerodynamic and surface pressure data over a range of supersonic Mach numbers and reentry angles of attack for experimental and computational validation and aerodynamic database development. To provide initial information on boundary layer transition at supersonic test conditions, transition studies were conducted using temperature sensitive paint and infrared thermography optical techniques. To support implementation of these optical diagnostics in the Unitary Wind Tunnel, the experiment was first modeled using the Virtual Diagnostics Interface software. For reentry orientations of 140 to 170 degrees (heat shield forward), windward surface flow was entirely laminar for freestream unit Reynolds numbers equal to or less than 3 million per foot. Optical techniques showed qualitative evidence of forced transition on the windward heat shield with application of both distributed grit and discreet trip dots. Longitudinal static force and moment data showed the largest differences with Mach number and angle of attack variations. Differences associated with Reynolds number variation and/or laminar versus turbulent flow on the heat shield were very small. Static surface pressure data supported the aforementioned trends with Mach number, Reynolds number, and angle of attack.

Murphy, Kelly J.↗
DOE OSTI2025

Towards a Deeper Fundamental Understanding of (Al,Sc)N Ferroelectric Nitrides

Density functional theory (DFT) calculations, within the virtual crystal alloy approximation, are performed, along with the development of a Landau-type model employing a symmetry-allowed analytical expression of the internal energy and having parameters determined from first principles, to investigate properties and energetics of Al1-xScxN ferroelectric nitrides in their hexagonal forms. These DFT computations and this model predict the existence of two different types of minima, namely, the fourfold-coordinated wurtzite (WZ) polar structure and a five-fold coordinated paraelectric hexagonal phase (denoted as H5), for any Sc composition up to 40%. The H5 minimum progressively becomes the lowest-energy state within hexagonal symmetry as the Sc concentration increases from 0 to 0.4. Furthermore, the model points to several key findings. Examples include the crucial role of the coupling between polarization and strains to create the WZ minimum, in addition to polar and elastic energies, and that the origin of the H5 state overcoming the WZ phase as the global minimum within hexagonal symmetry when increasing the Sc composition mostly lies in the compositional dependency of only two parameters-one linked to the polarization and another one being purely elastic in nature. Other examples are that forcing Al1-xScxN systems to have no or a weak change in lattice parameters when heating them allows us to reproduce their finite-temperature polar properties well and that a value of the axial ratio close to that of the ideal WZ structure implies a large polarization at low temperatures but not necessarily at high temperatures because of the ordered-disordered character of the temperature-induced formation of the WZ state. Such findings should allow for a better fundamental understanding of (Al,Sc)N ferroelectric nitrides, which may be used to design efficient devices having, e.g., low operating voltages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Accelerating materials science with high-throughput computations and machine learning

With unprecedented amounts of materials data generated from experiments as well as high-throughput density functional theory calculations, machine learning techniques has the potential to greatly accelerate materials discovery and design. In this report we review our efforts in the Materials Virtual Lab to integrate software automation, data generation and curation and machine learning to (i) design and optimize technological materials for energy storage, energy efficiency and high-temperature alloys; (ii) develop scalable quantum-accurate models, and (iii) enhance the speed and accuracy in interpreting characterization spectra.

36 MATERIALS SCIENCE↗