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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Engineering scale demonstration of a prospective cast Stone process - 15584

A cementitious waste form is one of the alternatives being evaluated for Supplemental Immobilization of Hanford Low Activity Waste (LAW). Washington River Protection Solutions (WRPS) is collecting data on cementitious or pozzolanic waste forms such as Cast Stone. The goal of this project for WRPS is to obtain data on the performance of the Cast Stone waste form for immobilizing LAW. As part of the data package being assembled, an engineering-scale demonstration with non-radioactive simulants was performed at the Savannah River National Laboratory (SRNL) using the Scaled Continuous Processing Facility (SCPF) to fill a container with simulated Cast Stone grout. Legacy salt solution from previous Hanford salt waste testing was trimmed to resemble the average composition generated from the Hanford Tank Waste Operation Simulator (HTWOS) used in the screening tests. The dry blend materials, ordinary portland cement (OPC), Class F fly ash, and ground granulated blast furnace slag (GGBFS or BFS) were obtained from Lafarge North America in Pasco, WA. Over three days, the SCPF was used to fill a 6,056 liter (1600 gallon) container with simulated Cast Stone grout. The tank was instrumented with x-, y-, and z-axis thermocouples to monitor curing temperature and two formed core sampling vials. The target production rate was 5.7 L/min (1.5 gpm). This required a salt solution flow rate of approximately 3.78 L/min (1 gpm) and a premix feed rate of approximately 263 kh/h (580 lb/h). The final surface slope at a fill height of 100 cm was 2.5-3.8 cm across the 260 cm (8.5 ft) diameter tank. During processing, grout was collected from both the mixer discharge and the discharge into the tank. These samples were stored in a humid environment either in a closed box proximal to the tank or inside the laboratory. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Segregation of liquid crystal mixtures in topological defects

The structure and physical properties of liquid crystal (LC) mixtures are a function of composition, and small changes can have pronounced effects on observables, such as phase-transition temperatures. Traditionally, LC mixtures have been assumed to be compositionally homogenous. The results of chemically detailed simulations presented here show that this is not the case; pronounced deviations of the local order from that observed in the bulk at defects and interfaces lead to significant compositional segregation effects. More specifically, two disclination lines are stabilized in this work by introducing into a nematic liquid crystal mixture a cylindrical body that exhibits perpendicular anchoring. Here, it is found that the local composition deviates considerably from that of the bulk at the interface with the cylinder and in the defects, thereby suggesting new assembly and synthetic strategies that may capitalize on the unusual molecular environment provided by liquid crystal mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Generation of quasi-monoenergetic protons from a double-species target driven by the radiation pressure of an ultraintense laser pulse

In laser-driven proton acceleration, generation of quasi-monoenergetic proton beams has been considered a crucial feature of the radiation pressure acceleration (RPA) scheme, but the required difficult physical conditions have hampered its experimental realization. As a method to generate quasi-monoenergetic protons under experimentally viable conditions, we investigated using double-species targets of controlled composition ratio in order to make protons bunched in the phase space in the RPA scheme. From a modified optimum condition and three-dimensional particle-in-cell simulations, we showed by varying the ion composition ratio of proton and carbon that quasi-monoenergetic protons could be generated from ultrathin plane targets irradiated with a circularly polarized Gaussian laser pulse. The proposed scheme should facilitate the experimental realization of ultrashort quasi-monoenergetic proton beams for unique applications in high field science.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

TH-CD-207A-08: Simulated Real-Time Image Guidance for Lung SBRT Patients Using Scatter Imaging

Purpose: To develop a comprehensive Monte Carlo-based model for the acquisition of scatter images of patient anatomy in real-time, during lung SBRT treatment. Methods: During SBRT treatment, images of patient anatomy can be acquired from scattered radiation. To rigorously examine the utility of scatter images for image guidance, a model is developed using MCNP code to simulate scatter images of phantoms and lung cancer patients. The model is validated by comparing experimental and simulated images of phantoms of different complexity. The differentiation between tissue types is investigated by imaging objects of known compositions (water, lung, and bone equivalent). A lung tumor phantom, simulating materials and geometry encountered during lung SBRT treatments, is used to investigate image noise properties for various quantities of delivered radiation (monitor units(MU)). Patient scatter images are simulated using the validated simulation model. 4DCT patient data is converted to an MCNP input geometry accounting for different tissue composition and densities. Lung tumor phantom images acquired with decreasing imaging time (decreasing MU) are used to model the expected noise amplitude in patient scatter images, producing realistic simulated patient scatter images with varying temporal resolution. Results: Image intensity in simulated and experimental scatter images of tissue equivalent objects (water, lung, bone) match within the uncertainty (∼3%). Lung tumor phantom images agree as well. Specifically, tumor-to-lung contrast matches within the uncertainty. The addition of random noise approximating quantum noise in experimental images to simulated patient images shows that scatter images of lung tumors can provide images in as fast as 0.5 seconds with CNR∼2.7. Conclusions: A scatter imaging simulation model is developed and validated using experimental phantom scatter images. Following validation, lung cancer patient scatter images are simulated. These simulated patient images demonstrate the clinical utility of scatter imaging for real-time tumor tracking during lung SBRT.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1979

Mechanical and thermophysical properties of graphite/polyimide composite materials

An on-going program to characterize advanced composites for up to 50,000 hours of exposure to simulated supersonic cruise environments is summarized. Results are presented for up to 25,000 hours of thermal exposure and 10,000 hours of flight simulation at temperatures up to 560K (550 F) with emphasis on HTS/710 graphite/polyimide composite material. Results to date indicate that the maximum use temperature for HTS/710 may be reduced to 505K (450 F) for long-time (1000 hours) application such as the supersonic transport. Preliminary thermophysical properties data for HTS/PMR15 graphite/polyimide were generated. These data include thermal conductivity, thermal expansion, and specific heat from 115K (-252 F) to 590K (600 F) and emittance at room temperature and 590K (600 F). The purpose in generating these data was to validate use of state-of-the-art property measurement methods for advanced graphite fiber reinforced resin matrix composites. Based on results to this point, thermal expansion measurements for composites are most difficult to perform. A high degree of caution in conducting thermal expansion tests and analyzing results is required to produce reliable data.

Rummler, D. R.↗
NASA NTRS1989

Finite element modeling of frictionally restrained composite interfaces

The use of special interface finite elements to model frictional restraint in composite interfaces is described. These elements simulate Coulomb friction at the interface, and are incorporated into a standard finite element analysis of a two-dimensional isolated fiber pullout test. Various interfacial characteristics, such as the distribution of stresses at the interface, the extent of slip and delamination, load diffusion from fiber to matrix, and the amount of fiber extraction or depression are studied for different friction coefficients. The results are compared to those obtained analytically using a singular integral equation approach, and those obtained by assuming a constant interface shear strength. The usefulness of these elements in micromechanical modeling of fiber-reinforced composite materials is highlighted.

Ballarini, Roberto↗
DOE OSTI2017

From aggregative adsorption to surface depletion: Aqueous systems of C n E m amphiphiles at hydrophilic surfaces

Adsorption of a short-chain nonionic amphiphile (C 6 E 3 ) at the surface of mesoporous silica glass (CPG-10) was studied by a combination of adsorption measurements and mesoscale simulations. Adsorption measurements covering a wide composition range of the C 6 E 3 + water system show that no adsorption occurs up to the critical micelle concentration (cmc), at which a sharp increase of adsorption is observed that is attributed to ad-micelle formation at the pore walls. Intriguingly, as the concentration is increased further, the surface excess of the amphiphile begins to decrease and eventually becomes negative, which corresponds to preferential adsorption of water rather than amphiphile at high amphiphile concentrations. The existence of such a surface-azeotropic point has not previously been reported in the surfactant adsorption field. Dissipative particle dynamics (DPD) simulations were performed to reveal the structural origin of this transition from aggregative adsorption to surface depletion. Finally, the simulations indicate that this transition can be attributed to the repulsive interaction between head groups, causing amphiphilic depletion in the region around the corona of the surface micelles.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Review: mechanical behavior of metal/ceramic interfaces in nanolayered composites—experiments and modeling

In this study, recent experimental and modeling studies in nanolayered metal/ceramic composites are reviewed, with focus on the mechanical behaviors of metal/nitrides interfaces. The experimental and modeling studies of the slip systems in bulk TiN are reviewed first. Then, the experimental studies of interfaces, including co-deformation mechanism by micropillar compression tests, in situ TEM straining tests for the dynamic process of the co-deformation, thickness-dependent fracture behavior, and interrelationship among the interfacial bonding, microstructure, and mechanical response, are reviewed for the specific material systems of Al/TiN and Cu/TiN multilayers at nanoscale. The modeling studies reviewed cover first-principles density functional theory-based modeling, atomistic molecular dynamics simulations, and mesoscale modeling of nanolayered composites using discrete dislocation dynamics. The phase transformation between zinc-blende and wurtzite AlN phases in Al/AlN multilayers at nanoscale is also reviewed. Finally, a summary and perspective of possible research directions and challenges are given.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Guided Wave Propagation Study on Laminated Composites by Frequency-Wavenumber Technique

Toward the goal of delamination detection and quantification in laminated composites, this paper examines guided wave propagation and wave interaction with delamination damage in laminated carbon fiber reinforced polymer (CFRP) composites using frequency-wavenumber (f-kappa) analysis. Three-dimensional elastodynamic finite integration technique (EFIT) is used to acquire simulated time-space wavefields for a CFRP composite. The time-space wavefields show trapped waves in the delamination region. To unveil the wave propagation physics, the time-space wavefields are further analyzed by using two-dimensional (2D) Fourier transforms (FT). In the analysis results, new f-k components are observed when the incident guided waves interact with the delamination damage. These new f-kappa components in the simulations are experimentally verified through data obtained from scanning laser Doppler vibrometer (SLDV) tests. By filtering the new f-kappa components, delamination damage is detected and quantified.

Tian, Zhenhua↗
NASA NTRS2004

Penalty-Based Interface Technology for Prediction of Delamination Growth in Laminated Structures

An effective interface element technology has been developed for connecting and simulating crack growth between independently modeled finite element subdomains (e.g., composite plies). This method has been developed using penalty constraints and allows coupling of finite element models whose nodes do not necessarily coincide along their common interface. Additionally, the present formulation leads to a computational approach that is very efficient and completely compatible with existing commercial software. The present interface element has been implemented in the commercial finite element code ABAQUS as a User Element Subroutine (UEL), making it easy to test the approach for a wide range of problems. The interface element technology has been formulated to simulate delamination growth in composite laminates. Thanks to its special features, the interface element approach makes it possible to release portions of the interface surface whose length is smaller than that of the finite elements. In addition, the penalty parameter can vary within the interface element, allowing the damage model to be applied to a desired fraction of the interface between the two meshes. Results for double cantilever beam DCB, end-loaded split (ELS) and fixed-ratio mixed mode (FRMM) specimens are presented. These results are compared to measured data to assess the ability of the present damage model to simulate crack growth.

Averill, Ronald C.↗
NASA NTRS2010

Simulations of Aerosol Microphysics in the NASA GEOS-5 Model

Aerosol-cloud-chemistry interactions have potentially large but uncertain impacts on Earth's climate. One path to addressing these uncertainties is to construct models that incorporate various components of the Earth system and to test these models against data. To that end, we have previously incorporated the Goddard Chemistry, Aerosol, Radiation, and Transport (GOCART) module online in the NASA Goddard Earth Observing System model (GEOS-5). GEOS-5 provides a platform for Earth system modeling, incorporating atmospheric and ocean general circulation models, a land surface model, a data assimilation system, and treatments of atmospheric chemistry and hydrologic cycle. Including GOCART online in this framework has provided a path for interactive aerosol-climate studies; however, GOCART only tracks the mass of aerosols as external mixtures and does not include the detailed treatments of aerosol size distribution and composition (internal mixtures) needed for aerosol-cloud-chemistry-climate studies. To address that need we have incorporated the Community Aerosol and Radiation Model for Atmospheres (CARMA) online in GEOS-5. CARMA is a sectional aerosol-cloud microphysical model, capable of treating both aerosol size and composition explicitly be resolving the aerosol distribution into a variable number of size and composition groupings. Here we present first simulations of dust, sea salt, and smoke aerosols in GEOS-5 as treated by CARMA. These simulations are compared to available aerosol satellite, ground, and aircraft data and as well compared to the simulated distributions in our current GOCART based system.

Colarco, Peter↗
DOE OSTI2015

pH-oscillations in the bromate–sulfite reaction in semibatch and in gel-fed batch reactors

The simplest bromate oxidation based pH-oscillator, the two component BrO{sub 3}{sup −}–SO{sub 3}{sup 2–} flow system was transformed to operate under semibatch and closed arrangements. The experimental preconditions of the pH-oscillations in semibatch configuration were predicted by model calculations. Using this information as guideline large amplitude (ΔpH∼3), long lasting (11–24 h) pH-oscillations accompanied with only a 20% increase of the volume in the reactor were measured when a mixture of Na{sub 2}SO{sub 3} and H{sub 2}SO{sub 4} was pumped into the solution of BrO{sub 3}{sup −} with a very low rate. Batch-like pH-oscillations, similar in amplitude and period time appeared when the sulfite supply was substituted by its dissolution from a gel layer prepared previously in the reactor in presence of high concentration of Na{sub 2}SO{sub 3}. The dissolution vs time curve and the pH-oscillations in the semibatch and closed systems were successfully simulated. Due to the simplicity in composition and in experimental technique, the semibatch and batch-like BrO{sub 3}{sup −}–SO{sub 3}{sup 2–} pH-oscillators may become superior to their CSTR (continuous flow stirred tank reactor) version in some present and future applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

GPTMS-Modified Bredigite/PHBV Nanofibrous Bone Scaffolds with Enhanced Mechanical and Biological Properties

Bioceramic nanoparticles with high specific surface area often tend to agglomerate in the polymer matrix, which results in undesirable mechanical properties of the composites and poor cell spreading and attachment. In the present work, bredigite (BR) nanoparticles were modified with an organosilane coupling agent, 3-glycidoxypropyltrimethoxysilane (GPTMS), to enhance its dispersibility in the polymer matrix. The polyhydroxybutyrate-co-hydroxyvaletare (PHBV) nanofibrous scaffolds containing either bredigite or GPTMS-modified bredigite (G-BR) nanoparticles were fabricated using electrospinning technique and characterized using scanning electron microscopy, transmission electron microscopy, and tensile strength. Results demonstrated that modification of bredigite was effective in enhancing nanoparticle dispersion in the PHBV matrix. PHBV/G-BR scaffold showed improved mechanical properties compared to PHBV and PHBV/BR, especially at the higher concentration of nanoparticles. In vitro bioactivity assay performed in the simulated body fluid (SBF) indicated that composite PHBV scaffolds were able to induce the formation of apatite deposits after incubation in SBF. From the results of in vitro biological assay, it is concluded that the synergetic effect of BR and GPTMS provided an enhanced hFob cells attachment and proliferation. The developed PHBV/G-BR nanofibrous scaffolds may be considered for application in bone tissue engineering.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2005

JSC-1: Lunar Simulant of Choice for Geotechnical Applications and Oxygen Production

Lunar simulant JSC-1 was produced as the result of a workshop held in 1991 to evaluate the status of simulated lunar material and to make recommendations on future requirements and production of such material (McKay et al., 1991). JSC-1 was prepared from a welded tuff that was mined, crushed, and sized from the Pleistocene San Francisco volcanic field, northern Arizona. As the initial production of approxiamtely 12,300kgs is nearly depleted, new production has commenced. The mineralogy and chemical properties of JSC-1 are described in McKay et al. (1994) and Hill et al. (this volume); description of its geotechnical properties appears in Klosky et al. (1996). Although other lunar-soil simulants have been produced (e.g., MLS-1: Weiblen et al., 1990; Desai et al., 1992; Chua et al., 1994), they have not been as well standardized as JSC-I; this makes it difficult to standardize results from tests performed on these simulants. Here, we provide an overview of the composition, mineralogy, strength and deformation properties, and potential uses of JSC-1 and outline why it is presently the 'lunar simulant of choice' for geotechnical applications and as a proxy for lunar-oxygen production.

Taylor, Lawrence A.↗
DOE OSTI2022

Predicting initial dissolution rates using structural features from molecular dynamics simulations

Predicting chemical durability of glass materials is important for various applications from daily life such as drink glass and kitchen ware to advanced technologies such as nuclear waste disposal and biomedicine. In this work, we explored prediction of initial dissolution rate through structural features from molecular dynamics (MD) simulations for a wide range of glass compositions (total 28) including borosilicate and aluminosilicate glasses, ZrO 2 -containing and V 2 O 5 -containing boroaluminosilicate glasses. The initial dissolution rates (r 0 ) measured experimentally at 90 °C with varying solution conditions were correlated with structural features (e.g., polyhedral linkages and non-bridging oxygen species) obtained from MD simulations, either from this study or from literature. Since hydrolysis of the glass network through breaking of the network former linkages (e.g., Si-O-Si, Si-O-Al, etc.) is a critical step of network glass dissolution, the statistics of these linkages obtained from MD were correlated to r0 through linear regression, where the coefficient of determination (R 2 ) and root mean square error are found to be 0.949 and 0.681, respectively. This model was compared and discussed with existing models developed by various approaches including machine learning, the kinetic rate equation, topological constraint theory, and other descriptors from MD simulations. The discussion provides insights on future model improvements to predict glass dissolution. In addition, the impact of V 2 O 5 on the glass dissolution was examined in detail, implicating that the impact is not the same across all glass compositions and test conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modeling of Chemical Slurry Rheology in DWPF Sludge Batch (SB) 10 Simulants

The Defense Waste Processing Facility (DWPF) treats high-activity radionuclides from sludge through a process called vitrification. This process converts radioactive liquid waste currently stored in tank farms into a solid glass form that is suitable for long-term storage and disposal. Due to the complexities involved in vitrifying this waste within each operation of the Chemical Processing Cell (CPC), waste rheology is studied to characterize the fluid-mechanical properties as it passes through the CPC and into the Melter. To better understand the waste and validate flow behavior, slurry rheology of simulants that represents the waste was studied at various acid stoichiometry percentages and solids concentrations to determine the simulant’s yield stress and viscosity. This research work has been supported by the DOE-FIU Science & Technology Workforce Development Initiative, an innovative program developed by the U.S. Department of Energy’s Office of Environmental Management (DOE-EM) and Florida International University’s Applied Research Center (FIU-ARC). During the spring of 2022, a DOE Fellow intern, Brendon Cintas, spent 10 weeks doing a summer internship at Savannah River National Laboratory (SRS) under the supervision and guidance of Dan Lambert, Chemical Flowsheet Development. The intern’s project was initiated on June 6, 2022, and continued through August 11, 2022 with the objective of assisting scientists at SRNL’s Rheology and Grout Laboratory at Aiken Country Technology Lab (ACTL) better understand the sludge composition on the rheology of a simulant slurry using a HAAKE RheoStress 6000 rheometer and extrapolate the results to the real-waste data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Irradiation resistance of nanostructured interfaces in Zr–Nb metallic multilayers

We report that irradiation resistance of metallic nanostructured multilayers is determined by the interactions between defects and phase boundaries. However, the dose-dependent interfacial morphology evolution can greatly change the nature of the defect–boundary interaction mechanisms over time. In the present study, we used atomistic models combined with a novel technique based on the accumulation of Frenkel pairs to simulate irradiation processes. We examined dose effects on defect evolutions near zirconium–niobium multilayer phase boundaries. Our simulations enabled us to categorize defect evolution mechanisms in bulk phases into progressing stages of dislocation accumulation, saturation, and coalescence. In the metallic multilayers, we observed a phase boundary absorption mechanism early on during irradiation, while at higher damage levels, the increased irradiation intermixing triggered a phase transformation in the Zr–Nb mixture. Lastly, this physical phenomenon resulted in the emission of a large quantity of small immobile dislocation loops from the phase boundaries.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Numerical simulation of three dimensional transonic flows

The three-dimensional flow over a projectile has been computed using an implicit, approximately factored, partially flux-split algorithm. A simple composite grid scheme has been developed in which a single grid is partitioned into a series of smaller grids for applications which require an external large memory device such as the SSD of the CRAY X-MP/48, or multitasking. The accuracy and stability of the composite grid scheme has been tested by numerically simulating the flow over an ellipsoid at angle of attack and comparing the solution with a single grid solution. The flowfield over a projectile at M = 0.96 and 4 deg angle-of-attack has been computed using a fine grid, and compared with experiment.

Sahu, Jubaraj↗