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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Simulating Damage Due to a Lightning Strike Event: Effects of Temperature Dependent Properties on Interlaminar Damage

A multidirectional, carbon fiber-epoxy, composite panel is subjected to a simulated lightning strike, within a finite element method framework, and the effect of material properties on the failure (delamination) response is investigated through a detailed numerical study. The numerical model of the composite panel consists of individual homogenized plies with user-defined, cohesive interface elements between them. Lightning strikes are simulated as an assumed combination of excessive heat and high pressure loadings. It is observed that the initiation and propagation of lightning-induced delamination is a significant function of the temperature dependency of interfacial fracture toughness. This dependency must be defined properly in order to achieve reliable predictions of the present lightning-induced delamination in the composite panel.

computational mechanics↗
NASA NTRS2014

Theoretical Development of an Orthotropic Elasto-Plastic Generalized Composite Material Model

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites is becoming critical as these materials are gaining increased usage in the aerospace and automotive industries. While there are several composite material models currently available within LSDYNA (Livermore Software Technology Corporation), there are several features that have been identified that could improve the predictive capability of a composite model. To address these needs, a combined plasticity and damage model suitable for use with both solid and shell elements is being developed and is being implemented into LS-DYNA as MAT_213. A key feature of the improved material model is the use of tabulated stress-strain data in a variety of coordinate directions to fully define the stress-strain response of the material. To date, the model development efforts have focused on creating the plasticity portion of the model. The Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic yield function with a nonassociative flow rule. The coefficients of the yield function, and the stresses to be used in both the yield function and the flow rule, are computed based on the input stress-strain curves using the effective plastic strain as the tracking variable. The coefficients in the flow rule are computed based on the obtained stress-strain data. The developed material model is suitable for implementation within LS-DYNA for use in analyzing the nonlinear response of polymer composites.

Polymer Matrix Composites↗
NASA NTRS2014

Theoretical Development of an Orthotropic Elasto-Plastic Generalized Composite Material Model

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites is becoming critical as these materials are gaining increased usage in the aerospace and automotive industries. While there are several composite material models currently available within LS-DYNA (Registered), there are several features that have been identified that could improve the predictive capability of a composite model. To address these needs, a combined plasticity and damage model suitable for use with both solid and shell elements is being developed and is being implemented into LS-DYNA as MAT_213. A key feature of the improved material model is the use of tabulated stress-strain data in a variety of coordinate directions to fully define the stress-strain response of the material. To date, the model development efforts have focused on creating the plasticity portion of the model. The Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic material model with a non-associative flow rule. The coefficients of the yield function, and the stresses to be used in both the yield function and the flow rule, are computed based on the input stress-strain curves using the effective plastic strain as the tracking variable. The coefficients in the flow rule are computed based on the obtained stress-strain data. The developed material model is suitable for implementation within LS-DYNA for use in analyzing the nonlinear response of polymer composites.

Plasticity↗
NASA NTRSDate not supplied

Dynamic Analysis of Reynolds Number Effects on Trailing Edge Transonic Vortex Shedding and Its Impact on Turbine Blade Aerodynamic Performance

In this work, we will discuss observations from images acquired from a time-resolved, high-speed self-aligned focusing Schlieren campaign that was performed at the CW-22 facility at NASA Glenn Research Center to understand the dynamic behavior of thick trailing-edge high-pressure turbine blades simulating a ceramic matrix composite (CMC) construction at high inlet turbulence conditions. For the CMC-9 blade, which has a trailing edge thickness of 9% of the axial chord, we identified a regime where an excessive total pressure loss (loss anomaly) is observed only for a narrow range of Reynolds numbers at a fixed exit Mach number of 0.74. The loss anomaly is qualitatively explained by our images, which were taken at 10 distinct blade Reynolds numbers spanning a factor of 6. The images show a significant increase in energy related to the oscillations due to transonic vortex shedding at the Reynolds numbers related to the high loss conditions. This increased energy leads to the formation of strong acoustic waves that turn into shock waves at the highest loss conditions. From our observations stemming from Spectral POD analysis of the high-speed images, we see the acoustic waves produced by the trailing edge vortex shedding exist in all conditions tested; but the shedding frequency has a very slight trend upwards as the Reynolds number is increased, varying about 6% in the range tested. Considering this variation of shedding frequency as a function of Reynolds number, which is well-established for other bluff-body flows, we stipulate there may be a potential feedback mechanism involving an acoustic information transfer path across neighboring blades that may explain why only a narrow range of Reynolds numbers displays strong, shock-forming vortex shedding. We consider a few feedback paths and examine the timing based on the mean flow field from a high-resolution LES simulation. It appears that all feedback mechanisms are viable, presenting an integer number of delay cycles with respect to disturbances generated at the trailing edge. Most noteworthy, however, is the acoustic/shock-boundary layer interaction mechanism at the blade geometric throat. Based on our analysis, this mechanism likely plays an important role in realistic, curved turbine blade passages.

Aerodynamics↗
DOE OSTI2014

Development of Computational Capabilities to Predict the Corrosion Wastage of Boiler Tubes in Advanced Combustion Systems

A comprehensive corrosion research project consisting of pilot-scale combustion testing and long-term laboratory corrosion study has been successfully performed. A pilot-scale combustion facility available at Brigham Young University was selected and modified to enable burning of pulverized coals under the operating conditions typical for advanced coal-fired utility boilers. Eight United States (U.S.) coals were selected for this investigation, with the test conditions for all coals set to have the same heat input to the combustor. In addition, the air/fuel stoichiometric ratio was controlled so that staged combustion was established, with the stoichiometric ratio maintained at 0.85 in the burner zone and 1.15 in the burnout zone. The burner zone represented the lower furnace of utility boilers, while the burnout zone mimicked the upper furnace areas adjacent to the superheaters and reheaters. From this staged combustion, approximately 3% excess oxygen was attained in the combustion gas at the furnace outlet. During each of the pilot-scale combustion tests, extensive online measurements of the flue gas compositions were performed. In addition, deposit samples were collected at the same location for chemical analyses. Such extensive gas and deposit analyses enabled detailed characterization of the actual combustion environments existing at the lower furnace walls under reducing conditions and those adjacent to the superheaters and reheaters under oxidizing conditions in advanced U.S. coal-fired utility boilers. The gas and deposit compositions were then carefully simulated in a series of 1000-hour laboratory corrosion tests, in which the corrosion performances of different commercial candidate alloys and weld overlays were evaluated at various temperatures for advanced boiler systems. Results of this laboratory study led to significant improvement in understanding of the corrosion mechanisms operating on the furnace walls as well as superheaters and reheaters in coal-fired boilers resulting from the coexistence of sulfur and chlorine in the fuel. A new corrosion mechanism, i.e., “Active Sulfidation Corrosion Mechanism,” has been proposed to account for the accelerated corrosion wastage observed on the furnace walls of utility boilers burning coals containing sulfur and chlorine. In addition, a second corrosion mechanism, i.e., “Active Sulfide-to-Oxide Corrosion Mechanism,” has been identified to account for the rapid corrosion attack on superheaters and reheaters. Both of the newly discovered corrosion mechanisms involve the formation of iron chloride (FeCl2) vapor from iron sulfide (FeS) and HCl, followed by the decomposition of FeCl2 via self-sustaining cycling reactions. For higher alloys containing sufficient chromium, the attack on superheaters and reheaters is dominated by Hot Corrosion in the presence of a fused salt. Furthermore, two stages of the hot corrosion mechanism have been identified and characterized in detail. The initiation of hot corrosion attack induced by molten sulfate leads to Stage 1 “acidic” fluxing and re-precipitation of the protective scale formed initially on the deposit-covered alloy surfaces. Once the protective scale is penetrated, Stage 2 Hot Corrosion is initiated, which is dominated by “basic” fluxing and re-precipitation of the scale in the fused salt. Based on the extensive corrosion information generated from this project, corrosion modeling was performed using non-linear regression analysis. As a result of the modeling efforts, two predictive equations have been formulated, one for furnace walls and the other for superheaters and reheaters. These first-of-the-kind equations can be used to estimate the corrosion rates of boiler tubes based on coal chemistry, alloy compositions, and boiler operating conditions for advanced boiler systems.

Coal-Environmental Processes↗
NASA NTRS2008

A Modeling Technique and Representation of Failure in the Analysis of Triaxial Braided Carbon Fiber Composites

Quasi-static tests have been performed on triaxially braided carbon fiber composite materials with large unit cell sizes. The effects of different fibers and matrix materials on the failure mode were investigated. Simulations of the tests have been performed using the transient dynamic finite element code, LS-DYNA. However, the wide range of failure modes observed for the triaxial braided carbon fiber composites during tests could not be simulated using composite material models currently available within LS-DYNA. A macroscopic approach has been developed that provides better simulation of the material response in these materials. This approach uses full-field optical measurement techniques to measure local failures during quasi-static testing. Information from these experiments is then used along with the current material models available in LS-DYNA to simulate the influence of the braided architecture on the failure process. This method uses two-dimensional shell elements with integration points through the thickness of the elements to represent the different layers of braid along with a new analytical method for the import of material stiffness and failure data directly. The present method is being used to examine the effect of material properties on the failure process. The experimental approaches used to obtain the required data will be described, and preliminary results of the numerical analysis will be presented.

Littell, Justin D.↗
NASA NTRS2008

A Modeling Technique and Representation of Failure in the Analysis of Triaxial Braided Carbon Fiber Composites

Quasi-static tests have been performed on triaxially braided carbon fiber composite materials with large unit cell sizes. The effects of different fibers and matrix materials on the failure mode were investigated. Simulations of the tests have been performed using the transient dynamic finite element code, LS-DYNA. However, the wide range of failure modes observed for the triaxial braided carbon fiber composites during tests could not be simulated using composite material models currently available within LS-DYNA. A macroscopic approach has been developed that provides better simulation of the material response in these materials. This approach uses full-field optical measurement techniques to measure local failures during quasi-static testing. Information from these experiments is then used along with the current material models available in LS-DYNA to simulate the influence of the braided architecture on the failure process. This method uses two-dimensional shell elements with integration points through the thickness of the elements to represent the different layers of braid along with a new analytical method for the import of material stiffness and failure data directly. The present method is being used to examine the effect of material properties on the failure process. The experimental approaches used to obtain the required data will be described, and preliminary results of the numerical analysis will be presented.

Littell, Justin D.↗
DOE OSTI2016

MC{sup 2}-3/DIF3D Analysis of the ZPPR-15 Axial Expansion Experiments

The Zero Power Physics Reactor (ZPPR) fast critical facility at the Argonne National Laboratory-West (ANLW) site in Idaho was built in 1969 to obtain neutron physics information necessary for the design of fast breeder reactors. The ZPPR-15 phases A through D were part of a series of cores intended to model a 330 MWt Integral Fast Reactor (IFR) concept. The ZPPR-15 assembly consisted of an inner core zone, an outer core zone of higher fissile content, a thin radial blanket and a thick steel reflector. The inner and outer core zones were of approximately equal volumes. The core zones simulated a sodium-cooled, metal-fueled fast reactor with approximately 10 wt.% zirconium in the target fuel composition. Phases A and B simulated an equilibrium cycle UPu-Zr fuel core where plutonium created in the blankets was sufficient to negate the need for enriched {sup 235}U feedstock. Phase D simulated a beginning of life U-Zr fuel core with enriched uranium fuel although approximately 10% of the fuel in the outer zone of the Phase D core was plutonium because {sup 240}Pu was required to provide a neutron source for the modified source multiplication technique used for many reactivity worth measurements such as sodium void worth in ZPPR. Phase C simulated the intermediate state between beginning of life and equilibrium cycle conditions with 50% enriched uranium fuel and 50% plutonium fuel in the inner and outer core zones. These configurations represent the various stages of reactor operating conditions. Phase A did not contain zirconium (metal fuel is typically alloyed with Zr) while Phases B, C and D did contain zirconium although the limited plate inventory restricted the zirconium zone to the inner core zone. This set of experiments was performed between April 1985 and July 1986 and focused on validation of both the concept and modeling. In each phase, there were multiple loadings for sub-critical, critical, and with regard to this manuscript, axial expansion worth measurements. Combined, these cores can be used to assess the accuracy of physics codes and evaluated cross section data for IFR concept reactors. This paper presents a recent effort that was made on retrieving validation data from the ZPPR-15 experiments and on deterministic modeling and analysis using MC{sup 2}-3/DIF3D for code validation. Axial expansion experiments and ZPPR-15D loading 206 were selected for this analysis. An explicit modeling of the axial expansion (introduction of gaps between sections of drawer) of ZPPR-15D loading 206 yielded a 32% over-prediction in the worth of the axial expansion with the MC2-3/DIF3D models. This indicates a consistent bias between ZPPR-15B and ZPPR-15D with regard to the deterministic modeling of the experiments. As part of future work, we intend on investigating whether the cross section processing or homogenization model is to blame, but we note with such small changes in k-effective in a large model, it is rather difficult to obtain zero errors as is typical for other worth measurements. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2003

Oxidation of Carbon Fibers in a Cracked Ceramic Matrix Composite Modeled as a Function of Temperature

The oxidation model simulates the oxidation of the reinforcing carbon fibers within a ceramic matrix composite material containing as-fabricated microcracks. The physics-based oxidation model uses theoretically and experimentally determined variables as input for the model. The model simulates the ingress of oxygen through microcracks into a two-dimensional plane within the composite material. Model input includes temperature, oxygen concentration, the reaction rate constant, the diffusion coefficient, and the crack opening width as a function of the mechanical and thermal loads. The model is run in an iterative process for a two-dimensional grid system in which oxygen diffuses through the porous and cracked regions of the material and reacts with carbon in short time steps. The model allows the local oxygen concentrations and carbon volumes from the edge to the interior of the composite to be determined over time. Oxidation damage predicted by the model was compared with that observed from microstructural analysis of experimentally tested composite material to validate the model for two temperatures of interest. When the model is run for low-temperature conditions, the kinetics are reaction controlled. Carbon and oxygen reactions occur relatively slowly. Therefore, oxygen can bypass the carbon near the outer edge and diffuse into the interior so that it saturates the entire composite at relatively high concentrations. The kinetics are limited by the reaction rate between carbon and oxygen. This results in an interior that has high local concentrations of oxygen and a similar amount of consumed carbon throughout the cross section. When the model is run for high-temperature conditions, the kinetics are diffusion controlled. Carbon and oxygen reactions occur very quickly. The carbon consumes oxygen as soon as it is supplied. The kinetics are limited by the relatively slow rate at which oxygen is supplied in comparison to the relatively fast rate at which carbon and oxygen reactions occur. This results in a sharp gradient in oxygen concentration from the edge where it is supplied to the nearest source of carbon, which is where the oxygen is quickly consumed. A moving reaction front is seen in which the outlaying carbon is consumed before the next inner layer of carbon begins to react.

Halbig, Michael C.↗
DOE OSTI2021

Programmable Site-Specific Functionalization of DNA Origami with Polynucleotide Brushes

Combining surface-initiated, TdT (terminal deoxynucleotidyl transferase) catalyzed enzymatic polymerization (SI-TcEP) with precisely engineered DNA origami nanostructures (DONs) presents an innovative pathway for the generation of stable, polynucleotide brush-functionalized DNA nanostructures. Here we demonstrate that SI-TcEP can site-specifically pattern DONs with brushes containing both natural and non-natural nucleotides. The brush functionalization can be precisely controlled in terms of the location of initiation sites on the origami core and the brush height and composition. Coarse-grained simulations predict the conformation of the brush-functionalized DONs that agree well with the experimentally observed morphologies. We find that polynucleotide brush-functionalization increases the nuclease resistance of DONs significantly, and that this stability can be spatially programmed through the site-specific growth of polynucleotide brushes. The ability to site-specifically decorate DONs with brushes of natural and non-natural nucleotides provides access to a large range of functionalized DON architectures that would allow for further supramolecular assembly, and for potential applications in smart nanoscale delivery systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Nuclear reaction analysis for H, Li, Be, B, C, N, O and F with an RBS check

In this paper, 15 N nuclear reaction analysis (NRA) for H is combined with 1.2 MeV deuteron (D) NRA which provides a simultaneous analysis for Li, Be, B, C, N, O and F. The energy dependence of the D NRA has been measured and used to correct for the D energy loss in film being analyzed. A 2 MeV He RBS measurement is made. Film composition is determined by a self-consistent analysis of the light element NRA data combined with an RBS analysis for heavy elements. This composition is used to simulate, with no adjustable parameters, the complete RBS spectrum. Finally, comparison of this simulated RBS spectrum with the measured spectrum provides a powerful check of the analysis.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Tracking of Marangoni driven motion during laser powder bed fusion

Laser Powder Bed Fusion (LPBF) can be used to create Functionally Graded Materials (FGMs) by selectively distributing property augmenting particles throughout the build matrix. With this method parts can be created with nonhomogeneous properties tuned to spatially varied, pre-determined design constraints. To unlock this capability, the fluid motion that occurs in the molten liquid phase must be thoroughly understood. More importantly, the actual tracking of motion during the LPBF process is needed. Further, a numerical model of heat transfer and fluid flow in LPBF process was created. Using results from the model the motion of particles starting at many different locations was tracked. The average change in position for these particles based on starting location was calculated. The effects of non-dimensional parameters on melt pool size were examined. These results were validated experimentally and compared to what is available in the literature.

42 ENGINEERING↗
DOE OSTI2019

Effect of Functional and Electron Correlation on the Structure and Spectroscopy of the Al 2 O 3 (001)–H 2 O Interface

Oxide–water interfaces are ubiquitous, with many applications in industry and the environment, yet there is a great deal of controversy over their properties and microscopic structure. This controversy stems, in part, from the unique H-bond networks formed at different surface terminations and mineral compositions. Density functional theory simulations of these interfaces require an accurate description of both the oxide mineral and water in diverse H-bond environments. Thus, herein we simulate the Al 2 O 3 (001)–H 2 O interface using the PBE, PBE-TS, RPBE, SCAN, and HSE06-TS functionals to determine how calculated interfacial properties depend on the choice of functional. We find that the structure of the first few layers of water at the surface is determined by electron correlation in a way that cannot be approximated using semiemipirical van der Waals corrections. Of the functionals investigated, we find that SCAN yields the most accurate interfacial structure, dynamics, and sum frequency generation spectrum. Furthermore, SCAN leads to a reduction in the order of the 2D H-bond network of water at the alumina surface predicted by GGA functionals, leading to a significant decrease in the anisotropy of the diffusion coefficient at the surface. We emphasize the importance of using a functional which accurately describes electron correlation for more complex oxides, such as transition-metal oxides, where electron correlation may play an even greater role in determining the structure and dynamics of the oxide–water interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗