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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Application of an invariant second-order closure model to compressible turbulent shear layers

A second-order closure model for two-dimensional, compressible shear flows is investigated using the invariant modeling technique developed by Donaldson. The invariant model parameters were originally selected by comparison of model predictions with critical experimental data on basic incompressible flows. Additional modeling for compressible flows has been introduced. A number of different shear flows such as the free shear layer, flat plate boundary layer and a simulation of the mixing region of a chemical laser are computed. The model is consistent with first-order closure turbulence models for equilibrium flows and is further capable of predicting nonequilibrium flows that cannot be correctly solved by eddy viscosity models. The results are in generally good agreement with experimental measurements but suggest the need for inclusion of a Mach number dependent model of the pressure diffusion terms in order to adequately represent high speed compressible flows.

Varma, A. K.↗
DOE OSTI2022

Synthesis and Ultrahigh Pressure Compression of High-Entropy Boride (Hf0.2Mo0.2Nb0.2Ta0.2Zr0.2)B2 to 220 GPa

The high-entropy boride (Hf0.2Mo0.2Nb0.2Ta0.2Zr0.2)B2 material was synthesized under high-pressures and high-temperatures in a large-volume Paris-Edinburgh (PE) press from a ball-milled powder mix of HfO2, MoO3, Nb2O5, Ta2O5, ZrO2, carbon black, and boron carbide. The transformation process was monitored in situ by energy-dispersive x-ray diffraction with conversion starting at 1100 °C and completed by 2000 °C with the formation of a single hexagonal AlB2-type phase. The synthesized sample was recovered, powdered, and mixed with platinum pressure marker and studied under high pressure by angle-dispersive x-ray diffraction in a diamond anvil cell. The hexagonal AlB2-type phase of (Hf0.2Mo0.2Nb0.2Ta0.2Zr0.2)B2 was found to be stable up to the highest pressure of 220 GPa reached in this study (volume compression V/V0 = 0.70). The third order Birch-Murnaghan equation of state fit to the high-pressure data up to 220 GPa results in an ambient pressure unit cell volume V0=28.16±0.04 Å3, bulk modulusKo = 407 ± 6 GPa, pressure derivative of bulk-modulus K0′ = 2.73 ± 0.045 GPa. Our study indicates that this high-entropy boride (Hf0.2Mo0.2Nb0.2Ta0.2Zr0.2)B2 material is stable to ultrahigh pressures and temperatures and exhibit high bulk modulus similar to other incompressible transition metal borides like ReB2 and Os2B3.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Efficient DNA sequence compression with neural networks

Abstract Background The increasing production of genomic data has led to an intensified need for models that can cope efficiently with the lossless compression of DNA sequences. Important applications include long-term storage and compression-based data analysis. In the literature, only a few recent articles propose the use of neural networks for DNA sequence compression. However, they fall short when compared with specific DNA compression tools, such as GeCo2. This limitation is due to the absence of models specifically designed for DNA sequences. In this work, we combine the power of neural networks with specific DNA models. For this purpose, we created GeCo3, a new genomic sequence compressor that uses neural networks for mixing multiple context and substitution-tolerant context models. Findings We benchmark GeCo3 as a reference-free DNA compressor in 5 datasets, including a balanced and comprehensive dataset of DNA sequences, the Y-chromosome and human mitogenome, 2 compilations of archaeal and virus genomes, 4 whole genomes, and 2 collections of FASTQ data of a human virome and ancient DNA. GeCo3 achieves a solid improvement in compression over the previous version (GeCo2) of $2.4\%$, $7.1\%$, $6.1\%$, $5.8\%$, and $6.0\%$, respectively. To test its performance as a reference-based DNA compressor, we benchmark GeCo3 in 4 datasets constituted by the pairwise compression of the chromosomes of the genomes of several primates. GeCo3 improves the compression in $12.4\%$, $11.7\%$, $10.8\%$, and $10.1\%$ over the state of the art. The cost of this compression improvement is some additional computational time (1.7–3 times slower than GeCo2). The RAM use is constant, and the tool scales efficiently, independently of the sequence size. Overall, these values outperform the state of the art. Conclusions GeCo3 is a genomic sequence compressor with a neural network mixing approach that provides additional gains over top specific genomic compressors. The proposed mixing method is portable, requiring only the probabilities of the models as inputs, providing easy adaptation to other data compressors or compression-based data analysis tools. GeCo3 is released under GPLv3 and is available for free download at https://github.com/cobilab/geco3.

Silva, Milton↗
DOE OSTI2024

Facilitating Implementation of High-Volume Fly Ash Use in Pre-cast Concrete Construction to Increase Beneficial Utilization

The main goal of this project was to increase the beneficial use of fly ash as a supplementary cementitious material for precast concrete applications. A major focus was to develop balanced concrete mix design strategies which collectively satisfy the follow objectives: 1) increase fly ash beneficial use by at least 15% in the precast concrete industry, 2) maintain or exceed stringent structural property requirements (e.g., compressive strength at initial prestress, modulus of rupture, etc.), 3) exhibit little or no additional cost relative to conventional mixtures, and 4) mitigate detrimental environmental consequences inadvertently caused by increased beneficial use. Outcomes from this project include recommendations for design guidelines and code provisions for sustainable concrete mix designs, facilitating diversion and harvesting of large quantities of fly ash from landfills or impoundments, and multiple frameworks for incorporating discarded fly ash materials (i.e., landfilled or ponded fly ash after separating the impurities) in concrete construction.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Observation of a mixed close-packed structure in superionic water

The study of superionic (SI) water has been a highly active research area since its theoretical prediction. Despite significant experimental and computational efforts, its melting curve and the stability of different oxygen lattices remain debated, impacting our understanding of SI ice’s peculiar transport properties. Experimental results at lower pressures show disagreement, whereas data at higher pressures are scarce due to the extreme challenges of such experiments. In this work, we present ultrafast X-ray diffraction results of water compressed by multiple shocks to pressures up to ~ 180 GPa. At pressures exceeding 150 GPa and temperatures around 2500 K, our diffraction patterns challenge the pure FCC-SI phase model, providing experimental evidence of the mixed close-packed superionic phase predicted by advanced ab initio calculations. At lower pressures, we observe simultaneous signatures of BCC and FCC structures within a pressure-temperature range consistent with some static-compression experiments, helping to resolve contradictory results in literature. These insights offer new constraints on the stability domains of SI phases and reveal detailed structural features, such as stacking faults. Our results advance the structural understanding of high-pressure SI ice to a level approaching that of ice I polymorphs, with potential implications for water-rich interiors of giant planets.

Andriambariarijaona, Leon [Centre National de la R↗
DOE OSTI2022

Modeling atomically mixed graded density impactors

Graded density impactors (GDIs) are multi-material composite impactors used in gas gun experiments to tailor the drive conditions imparted to a sample test material. Previous graded density impactors generally rely on thin, but discrete, layers of different materials. The thinner and the greater number of layers will result in smoother compression. Taken to the limit of very thin layers would be pure material 1 at one surface, such as the front surface of an impactor, smoothly transitioning at the atomic scale to pure material 2 on the back surface. Such an impactor can initially shock, then smoothly compresses a material during a dynamic experiment. This type of experiment can serve to explore a larger region of thermodynamic space than a single or even multi-shock experiments. An overview of how graded density impactors are made is reviewed and sample results are given. Additionally, a strategy for modeling these kinds of impactors is presented. The length scales of constituent mixing are given from the experimental build through electrochemical-deposition. Equation of state models for pure constituents and their subsequent mixtures are presented. It is demonstrated that the time scales for pressure and temperature equilibration, for atomically mixed GDIs, are short enough to be a justifiable closure for the resulting multiphase flow. Furthermore, we present simulation results of dynamic shock followed by a ramp compression, utilizing a silver/gold graded density impactor, onto a tantalum sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1996

The Favre-Reynolds Average Distinction and a Consistent Gradient Transport Expression for the Dissipation

Two equation and higher order closures for compressible turbulence fail to capture the compressible wall layers' log scaling. Accounting for the distinction between Favre and Reynolds averaged variables in the compressible moment equations indicate that turbulent transport expressions obtained using the 'variable density approximation' are in error. The error is related to the enstrophy, a Reynolds averaged variable appearing in the equation for the Favre averaged k; recognizing this fact an expression for the transport of dissipation consistent with simple mixing length arguments is obtained. Within the (limited) context of a gradient transport hypothesis a rational form for the turbulent transport of the dissipation is found. Modestly better agreement with the well established compressible Van Driest log scaling is found in k - epsilon calculation.

Ristorcelli, J. R.↗
DOE OSTI2019

Particle Strain Analysis of Epoxy-Based Composites Following Quasi-Static and Dynamic Compression

We investigate localized strains in polymer-based composites subjected to varying strain-rates and strains. Research on composites is often focused on their bulk mechanical behavior. However, many material phenomena are influenced by their microstructure, such as the mixing and reaction mechanisms of constituents in structural energetic materials. Therefore, the response of composites at the mesoscale is of clear interest; especially as insight into the micro-deformation and damage, and interaction effects between the constituents at the local level will better inform our understanding of the bulk composite constitutive behavior. To more fully understand the composite mechanical behavior at the mesoscale, uniaxial compression experiments were conducted on epoxy reinforced with aluminum (20 or 40 vol%) and nickel (0 or 10 vol%) particles. Additionally, the particle size of aluminum was either 5 or 50 μm in diameter. Experiments were carried out at quasi-static and dynamic strain rates. Resulting microstructures were analyzed to measure the degree of particle strain and compared to the global material strains for different degrees of strain-rate, strain, and particle size and volume fraction. The aluminum particle strain increased with global strain and had a strong dependency on strain rate. Introducing stiffer nickel particles resulted in larger aluminum particle strains. The nickel particle strain was minimal (< 3%) and showed no dependency with strain rate. This research gives insight into the interactions of particle reinforced composite constituents and their deformation at the mesoscale which is important for understanding phenomena such as preignition mechanisms in structural energetic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Large-scale atomistic studies of sliding friction in polycrystalline aluminum interfaces

In this work, we discuss large-scale non-equilibrium molecular dynamics (NEMD) simulations of ductile metal sliding comprising up to 1.8 × 10 9 atoms over time scales of 100 ns. The results of these simulations have identified a variety of physical mechanisms that are important in determining the steady-state frictional force for a wide range of velocities at compressed metal–metal interfaces. These include grain growth and refinement, the evolution of large plastic strains and strain rates, material mixing, and melting. These phenomena can be included in a strain, strain rate, and grain size model that gives good agreement with the NEMD simulations and can be applied to macroscopic continua.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Development and Characterization of Cementitious Waste Forms for Immobilization of Granular Activated Carbon, Silver Mordenite, and HEPA Filter Media Solid Secondary Waste

Solid secondary waste materials expected to be generated during Hanford Waste Treatment and Immobilization Plant (WTP) operations were characterized (using representative materials) with respect to their ability to retain technetium-99 (Tc), iodine-129 (I), and mercury (Hg) as input to future updates to the Integrated Disposal Facility (IDF) performance assessments (PAs). The waste materials included granular activated carbon (GAC), silver mordenite (AgM), and high-efficiency particulate air (HEPA) filter media; all are used for removal of contaminants and radionuclides from the gaseous effluent treatment systems within the WTP. It is expected that the GAC and AgM will be mixed into a cementitious waste form in which the GAC and AgM particles will be blended/stabilized into the cementitious material. It is also expected that the HEPA filter media will be compacted and placed in a container that is then backfilled with a grout to macroencapsulate the medium. Here we report Kds for all waste materials of interest, examine the physical properties of grout specimens containing the waste materials, and provide solid-state characterization information to further understand the interaction of the waste materials with the encapsulating grout. The Kds are used in PA calculations that estimate contaminant release from the disposal site. Monolithic test specimens were prepared with the GAC and AgM mixed in either a Cast Stone grout formulation (8 weight percent [wt%] ordinary Portland cement [OPC], 45 wt% fly ash [FA], 47 wt% blast furnace slag [BFS]) or a Hanford grout mix 5 (HGM-5) formulation (25 wt% OPC, 75 wt% FA). As the specimens were being prepared, the fluid grout mixes were characterized for processing properties including flowability, set time, and the presence of free liquids during curing. After curing, compressive strengths of the waste forms were measured; the compressive strengths were above 2000 psi, easily exceeding the 500 psi minimum requirement. The cured waste forms were also characterized for their density, porosity, hydraulic conductivity, and water characteristic curve—all properties needed in PA calculations of radionuclide release from the waste forms in the IDF. Finally, EPA Method 1315 leach tests were conducted on the GAC and AgM waste materials encapsulated in the Cast Stone and HGM-5 grouts to determine the rate of release of contaminants from the waste forms. Effective diffusivities are provided, which can be used in future PA analyses of the disposal of these solid secondary waste materials.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1988

Heat pipe dynamic behavior

The vapor flow in a heat pipe was mathematically modeled and the equations governing the transient behavior of the core were solved numerically. The modeled vapor flow is transient, axisymmetric (or two-dimensional) compressible viscous flow in a closed chamber. The two methods of solution are described. The more promising method failed (a mixed Galerkin finite difference method) whereas a more common finite difference method was successful. Preliminary results are presented showing that multi-dimensional flows need to be treated. A model of the liquid phase of a high temperature heat pipe was developed. The model is intended to be coupled to a vapor phase model for the complete solution of the heat pipe problem. The mathematical equations are formulated consistent with physical processes while allowing a computationally efficient solution. The model simulates time dependent characteristics of concern to the liquid phase including input phase change, output heat fluxes, liquid temperatures, container temperatures, liquid velocities, and liquid pressure. Preliminary results were obtained for two heat pipe startup cases. The heat pipe studied used lithium as the working fluid and an annular wick configuration. Recommendations for implementation based on the results obtained are presented. Experimental studies were initiated using a rectangular heat pipe. Both twin beam laser holography and laser Doppler anemometry were investigated. Preliminary experiments were completed and results are reported.

Issacci, F.↗
NASA NTRS1992

The prediction of noise radiation from supersonic elliptic jets

This paper describes the prediction of noise radiation from supersonic elliptic jets. The noise is associated with the large scale structures in the jet mixing layer. These structures are described as instability waves. The local characteristics of the instability waves are determined from a compressible, linear, analysis. The jet mean velocity and density are described in elliptic cylindrical coordinates. The local eigensolution for the instability waves is determined from a finite difference solution of the non-separable boundary value problem. This inner solution which is formulated in terms of the method of multiple scales is matched with the radiated field using the method of matched asymptotic expansions. The form of the far-field directivity is derived. Predictions are presented for the noise radiation by the several modes of instability in the elliptic jet. The radiated field is not axisymmetric and certain modes radiate strongly in the directions of the major and minor axes of the jet. The extension of the present work to other geometries and flow fields is discussed.

Morris, Philip J.↗
NASA NTRS2003

Strength, Fracture Toughness, Fatigue, and Standardization Issues of Free-standing Thermal Barrier Coatings

Strength, fracture toughness and fatigue behavior of free-standing thick thermal barrier coatings of plasma-sprayed ZrO2-8wt % Y2O3 were determined at ambient and elevated temperatures in an attempt to establish a database for design. Strength, in conjunction with deformation (stress-strain behavior), was evaluated in tension (uniaxial and trans-thickness), compression, and uniaxial and biaxial flexure; fracture toughness was determined in various load conditions including mode I, mode II, and mixed modes I and II; fatigue or slow crack growth behavior was estimated in cyclic tension and dynamic flexure loading. Effect of sintering was quantified through approaches using strength, fracture toughness, and modulus (constitutive relations) measurements. Standardization issues on test methodology also was presented with a special regard to material's unique constitutive relations.

Choi, Sung R.↗
DOE OSTI2020

Experimental Study of the Fundamental Properties of Warm Dense Mixtures

The aim of the proposed research was to provide a multi-scale study of the properties of warm dense hydrocarbons, by studying the thermodynamic properties through the equation of state and the microscopic properties by x-ray scattering. Understanding the fundamental properties of warm dense mixtures is an intellectual challenge due to the complexity of the system. Unlike liquids or gases, where constituent particle interactions occur through collisions or bonding between valence electrons, in these strongly coupled systems the atoms will be partially ionized and compressed so tightly together that interactions between the inner core electrons can play a role in the systems chemistry. Advances in computational capabilities and development of new theoretical models have been used to predict the properties of mixtures but there is currently no experimental data of the fundamental interaction between the particles in mixtures to test these predictions against. The proposed research was to experimentally investigate the interaction of the different species in hydrocarbons by measuring the compressibility of substances with different carbon and hydrogen ratios and the complexity of the microscopic interactions through elastic and inelastic x-ray scattering. To study the bulk properties of warm dense hydrocarbons we established the Warm Dense Matter Research Laboratory (WDMRL) in the Institute for Shock Physics at Washington State University. The goal was for experiments in the WDMRL to determine shock loading conditions of interest in the hydrocarbon mixtures. We planned on using Hugoniot EOS measurements and a range of carbon and hydrogen concentrations to determine conditions when the EOS of the mixture varied significantly from that of the classical mixing model. Even though shock transit measurements through aluminum foils suggested pressures upto 400GPa, the experiments in the WDMRL were unsuccessful in getting usable shockwave compression data above 100GPa in polystyrene which was below the pressure of interest for hydrocarbon mixtures (>200GPa). To complete the project, we tested a technique using x-ray phase contrast imaging to map the location of tracer layers in a test sample of polycarbonate to record the material motion in dynamically compressed samples. A technique that will be useful for future warm dense matter experiments. These experiments used <200nm gold layers in polycarbonate samples to measure the material velocity and shock speed using x-ray phase contrast imaging. These results were compared to continuum surface measurements performed at ISP and show that the tracer layer technique can measure hydrodynamic properties accurately in dynamically compressed materials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Variable Precision Computing

This report summarizes the activities and major accomplishments of the Variable Precision Computing Strategic Initiative project. The overarching goal of this project was to initiate and promote a new paradigm in High Performance Computing (HPC) that would fundamentally change how we represent and make use of representations of real numbers in finite precision and that would establish Lawrence Livermore National Laboratory (LLNL) as a leader in precision-related research for HPC. We pursued three integrated and concurrent research thrusts: new, more dynamic data representations to address data motion and capacity limitations; improved mixed precision algorithms to accelerate computation and to leverage new hardware; and new tools to help developers reason about precision and to automate code transformations. Within these thrust areas, we made significant advances in the use of compressed array data types in numerical calculations, in the theoretical justification, in improved performance, and in the prospects of hardware implementation; in the development of metrics to significantly reduce the storage needs of molecular dynamics simulations; in the development and analysis of efficient mixed-precision algorithms for time-dependent partial differential equations and for orthogonal factorization; and in the capability of tools that can analyze sensitivity of computed results to choices in precision and that can make automated code transformations based on such analysis. We established that there are definite opportunities to realize significant improvements in HPC above and beyond the 2x limits of traditional mixed precision using the technologies we have developed. The project produced numerous papers, presentations, and posters in important venues as well as open-source software contributions to the community, and many of the new capabilities have initiated or are being leveraged in ongoing projects.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1953

A comparison of the experimental subsonic pressure distributions about several bodies of revolution with pressure distributions computed by means of the linearized theory

An analysis is made of the effects of compressibility on the pressure coefficients about several bodies of revolution by comparing experimentally determined pressure coefficients with corresponding pressure coefficients calculated by the use of the linearized equations of compressible flow. The results show that the theoretical methods predict the subsonic pressure-coefficient changes over the central part of the body but do not predict the pressure-coefficient changes near the nose. Extrapolation of the linearized subsonic theory into the mixed subsonic-supersonic flow region fails to predict a rearward movement of the negative pressure-coefficient peak which occurs after the critical stream Mach number has been attained. Two equations developed from a consideration of the subsonic compressible flow about a prolate spheroid are shown to predict, approximately, the change with Mach number of the subsonic pressure coefficients for regular bodies of revolution of fineness ratio 6 or greater.

Matthews, Clarence W↗
NASA NTRS1961

Preliminary Investigation of an Underwater Ramjet Powered by Compressed Air

Part I contains the results of a preliminary experimental investigation of a particular design of an underwater ramjet or hydroduct powered by compressed air. The hydroduct is a propulsion device in which the energy of an expanding gas imparts additional momentum to a stream of water through mixing. The hydroduct model had a fineness ratio of 5.9, a maximum diameter of 3.2 inches, and a ratio of inlet area to frontal area of 0.32. The model was towed at a depth of 1 inch at forward speeds between 20 and 60 feet per second for airflow rates from 0.1 to 0.3 pound per second. Longitudinal force and pressures at the inlet and in the mixing chamber were determined. The hydroduct produced a positive thrust-minus-drag force at every test speed. The force and pressure coefficients were functions primarily of the ratio of weight airflow to free-stream velocity. The maximum propulsive efficiency based on the net internal thrust and an isothermal expansion of the air was approximately 53 percent at a thrust coefficient of 0.10. The performance of the test model may have been influenced by choking of the exit flow. Part II is a theoretical development of an underwater ramjet using air as "fuel." The basic assumption of the theoretical analysis is that a mixture of water and air can be treated as a compressible gas. More information on the properties of air-water mixtures is required to confirm this assumption or to suggest another approach. A method is suggested from which a more complete theoretical development, with the effects of choking included, may be obtained. An exploratory computation, in which this suggested method was used, indicated that the effect of choked flow on the thrust coefficient was minor.

Mottard, Elmo J.↗