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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The Role of Local Inhomogeneities on Dendrite Growth in LLZO-Based Solid Electrolytes

The majority of the ceramic solid electrolytes (LLZO, LATP) demonstrate polycrystalline grain/grain-boundary (G/GB) microstructure. Higher lithium (Li) concentration and lower mechanical stiffness result in current focusing at the GBs. Growth of Li dendrites through local inhomogeneities and subsequent short circuit of the cell is a major concern. Recent studies have revealed that bulk Li metal is a viscoplastic material that has low (~0.3 MPa) and high (~1.0 MPa) yield strength during deformation at smaller and larger rates of strain, respectively. It has been argued that during deposition at smaller current densities, due to its lower yield strength, Li metal should demonstrate plastic flow against stiff ceramic electrolytes, and Li dendrites will be prevented from penetrating through solid electrolytes. In this manuscript, a multiscale modeling framework has been developed for predicting properties of GBs and the bulk of ceramic electrolytes using atomistic calculations for input to mesoscale models. Using the parameters obtained from the atomistic simulations, the mesoscale model reveals that, given enough time, even at low charge rates, lithium dendrites can grow through the GBs of LLZO. The present multiscale model results also provide information regarding the dendrite growth velocity through LLZO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Small-scale yielding analysis of mixed mode plane-strain crack problems

The small-scale yielding analysis of an elastic-plastic body with a line crack under plane-strain conditions subject to combinations of Mode I and II loadings is examined. The analysis of the near-tip field follows the works of Hutchinson and Rice and Rosengren. Dominant singularity solutions governing the asymptotic behavior of the stresses and strains at the crack tip are obtained for the complete range of loadings between Mode I and II. The results of an accurate finite element technique, which imbeds the dominant singularity solutions, directly relates the near-tip behavior to the elastic stress intensity factors K(I) and K(II). Implications of this study to mixed mode fracture mechanics is also discussed, particularly with respect to the direction of crack initiation and the relation of fracture toughness under mixed modes to that in Mode I. Details of the mixed mode plastic zone sizes and shapes are also given.

Shih, C. F.↗
NASA NTRS1993

The origin of Venusian channels: Modelling of thermal erosion by lava

Magellan imagery has revealed that channels, apparently volcanic in origin, are abundant on the surface of Venus. There has been much debate about the origin of these channels. Are they the result of erosional (either thermal or mechanical) or constructional processes? A common characteristic of the simple sinuous channels is that they show evidence of erosion near their source and then become purely constructional, forming levees and in some cases roofing over completely. One method of showing that thermal erosion is capable of producing the type of channels seen is to use computer modeling incorporating the physical conditions on Venus and the physical characteristics of the different types of lava that may have been erupted. It is possible to calculate, relatively easily, two channel parameters. The first is the erosion rate, which combined with eruption duration, gives depth. The second is for how long after leaving the source the erupted lava will continue to be capable of thermal erosion before constructional processes dominate. Making assumptions about the rheology of the lava (e.g., assume it behaves as a Bingham plastic) along with the slope angle yields a flow velocity and therefore a distance over which thermal erosion will take place. Due to the resolution (both vertical and horizontal) of the Magellan altimetric data, the distance from the source that the channel is erosional can be much more accurately measured than the depth of the channel. This will remain the case until stereo imagery becomes available for large areas of the planet.

Bussey, D. B. J.↗
NASA NTRS1999

Residual Strength Prediction of Fuselage Structures with Multiple Site Damage

This paper summarizes recent results on simulating full-scale pressure tests of wide body, lap-jointed fuselage panels with multiple site damage (MSD). The crack tip opening angle (CTOA) fracture criterion and the FRANC3D/STAGS software program were used to analyze stable crack growth under conditions of general yielding. The link-up of multiple cracks and residual strength of damaged structures were predicted. Elastic-plastic finite element analysis based on the von Mises yield criterion and incremental flow theory with small strain assumption was used. A global-local modeling procedure was employed in the numerical analyses. Stress distributions from the numerical simulations are compared with strain gage measurements. Analysis results show that accurate representation of the load transfer through the rivets is crucial for the model to predict the stress distribution accurately. Predicted crack growth and residual strength are compared with test data. Observed and predicted results both indicate that the occurrence of small MSD cracks substantially reduces the residual strength. Modeling fatigue closure is essential to capture the fracture behavior during the early stable crack growth. Breakage of a tear strap can have a major influence on residual strength prediction.

Chen, Chuin-Shan↗
NASA NTRS2006

The Equivalence of the Radial Return and Mendelson Methods for Integrating the Classical Plasticity Equations

The radial return and Mendelson methods for integrating the equations of classical plasticity, which appear independently in the literature, are shown to be identical. Both methods are presented in detail as are the specifics of their algorithmic implementation. Results illustrate the methods' equivalence across a range of conditions and address the question of when the methods require iteration in order for the plastic state to remain on the yield surface. FORTRAN code implementations of the radial return and Mendelson methods are provided in the appendix.

Bednarcyk, Brett A.↗
NASA NTRS2012

Two-Dimensional Nonlinear Finite Element Analysis of CMC Microstructures

A research program has been developed to quantify the effects of the microstructure of a woven ceramic matrix composite and its variability on the effective properties and response of the material. In order to characterize and quantify the variations in the microstructure of a five harness satin weave, chemical vapor infiltrated (CVI) SiC/SiC composite material, specimens were serially sectioned and polished to capture images that detailed the fiber tows, matrix, and porosity. Open source quantitative image analysis tools were then used to isolate the constituents, from which two dimensional finite element models were generated which approximated the actual specimen section geometry. A simplified elastic-plastic model, wherein all stress above yield is redistributed to lower stress regions, is used to approximate the progressive damage behavior for each of the composite constituents. Finite element analyses under in-plane tensile loading were performed to examine how the variability in the local microstructure affected the macroscopic stress-strain response of the material as well as the local initiation and progression of damage. The macroscopic stress-strain response appeared to be minimally affected by the variation in local microstructure, but the locations where damage initiated and propagated appeared to be linked to specific aspects of the local microstructure.

Mital, Subodh K.↗
DOE OSTI2026

Photooxidative Upcycling of Post-Consumer Polystyrene Plastics into Phenol Using Eosin Y

Phenol is a commodity chemical frequently used in the manufacturing of resins, pharmaceuticals, and polymers. Yet, its industrial production from cumene requires harsh oxidative conditions followed by the Hock rearrangement. Polystyrene (PS) is a widely manufactured commodity polymer; however, it is among the least recycled plastics. Intriguingly, it is composed of contiguous cumene repeats that could serve as a phenol source, enhancing its value as a waste material. In this work, we leverage the similarity between cumene and PS to drive phenol production via a mild photooxidative HAT mechanism. Using Eosin Y under blue light irradiation and atmospheric pressure of oxygen, commercial PS resin was converted into hydroperoxyl PS. Subsequent acid-catalyzed Hock rearrangement afforded up to 21% yield of phenol. The photooxidation system was successfully applied to 8 post-consumer PS plastics, achieving phenol yields up to 23%, comparable to those of the current industrial Hock process. Our method introduces a mild catalytic strategy for converting post-consumer PS into phenol, offering a potential pathway for PS waste valorization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Mechanical Behavior of Gamma-Met PX under Uniaxial Loading at Elevated Temperatures and High Strain Rates

Gamma titanium aluminides have received considerable attention over the last decade. These alloys are known to have low density, good high temperature strength retention and good oxidation and corrosion resistance. However, poor ductility and low fracture toughness have been the key limiting factors in the full utilization of these alloys. More recently, a new generation of gamma titanium aluminide alloys, commonly referred to as Gamma-met PX, has been developed by GKSS, Germany. These alloys have been observed to have superior strength and better oxidation resistance at elevated temperatures when compared with conventional gamma titanium aluminides. The present paper discusses results of a study to understand the uniaxial mechanical behavior in both compression and tension of Gamma-Met PX at elevated temperatures and high strain rates. The compression and tensile tests are conducted using a modified split-Hopkinson bar apparatus at test temperatures ranging from room temperature to 900 C and strain rates of up to 3500/s. Under uniaxial compression, in the temperature range from room to 600 C, the flow stress is observed to be nearly independent of test temperature. However, at temperatures higher than 600 C thermal softening is observed at all strain rates with the rate of thermal softening increasing dramatically between 800 C and 900 C. The room temperature tensile tests show negligible strain-rate dependence on both yield stress and flow stress. With an increase in test temperature from room to 900 C the material shows a drop in both yield and flow stress at all levels of plastic strain. However, the measured flow stress is still higher when compared to nickel based super-alloys and other gamma titanium aluminides under similar test conditions. Also, no anomaly in yield stress is observed up to 900 C.

Shazly, Mostafa↗
NASA NTRS1976

Ductile fracture of cylindrical vessels containing a large flaw

The fracture process in pressurized cylindrical vessels containing a relatively large flaw is considered. The flaw is assumed to be a part-through or through meridional crack. The flaw geometry, the yield behavior of the material, and the internal pressure are assumed to be such that in the neighborhood of the flaw the cylinder wall undergoes large-scale plastic deformations. Thus, the problem falls outside the range of applicability of conventional brittle fracture theories. To study the problem, plasticity considerations are introduced into the shell theory through the assumptions of fully-yielded net ligaments using a plastic strip model. Then a ductile fracture criterion is developed which is based on the concept of net ligament plastic instability. A limited verification is attempted by comparing the theoretical predictions with some existing experimental results.

Erdogan, F.↗
NASA NTRS1976

Finite element solutions for crack-tip behavior in small-scale yielding

The subject considered is the stress and deformation fields in a cracked elastic-plastic power law hardening material under plane strain tensile loading. An incremental plasticity finite element formulation is developed for accurate analysis of the complete field problem including the extensively deformed near tip region, the elastic-plastic region, and the remote elastic region. The formulation has general applicability and was used to solve the small scale yielding problem for a set of material hardening exponents. Distributions of stress, strain, and crack opening displacement at the crack tip and through the elastic-plastic zone are presented as a function of the elastic stress intensity factor and material properties.

Tracey, D. M.↗
DOE OSTI2021

Chemically recyclable thermoplastics from reversible-deactivation polymerization of cyclic acetals

Identifying plastics capable of chemical recycling to monomer (CRM) is the foremost challenge in creating a sustainable circular plastic economy. Polyacetals are promising candidates for CRM but lack useful tensile strengths owing to the low molecular weights produced using current uncontrolled cationic ring-opening polymerization (CROP) methods. Here, we present reversible-deactivation CROP of cyclic acetals using a commercial halomethyl ether initiator and an indium(III) bromide catalyst. Using this method, we synthesize poly(1,3-dioxolane) (PDXL), which demonstrates tensile strength comparable to some commodity polyolefins. Depolymerization of PDXL using strong acid catalysts returns monomer in near-quantitative yield and even proceeds from a commodity plastic waste mixture. Our efficient polymerization method affords a tough thermoplastic that can undergo selective depolymerization to monomer.

Abel, Brooks A.↗
DOE OSTI2021

Using distributions to understand neutron and x-ray production in ICF ignition capsules and other high energy density plasmas

Here this paper describes how x-ray and neutron distribution functions can be useful tools to visualize the conditions measured in many types of plasma physics experiments. In particular, we model a standard inertial confinement fusion ignition capsule that consists of a Si doped plastic ablator surrounding a layer of deuterium–tritium (DT) ice as the yield varies from 18 kJ to 16.7 MJ and use the distribution functions to show that neutrons and high energy x rays (15 keV) are produced under similar conditions when the yield is low. However, as the capsule starts to support a propagating burn due to alpha heating, the x rays and neutrons are produced under somewhat different conditions in different parts of the plasma. In particular, the x-ray production takes place mainly in the hot plastic ablator for the full yield ignition capsule under quite different plasma conditions from the DT region producing the 14 MeV neutrons, which results in x-ray images with larger radii than the corresponding neutron images. These same distribution functions can be applied to many other plasma physics experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Response tailoring of elasto-plastic trusses

Abstract In this work we tailor the response of trusses loaded beyond their yield limit. The truss structures are modeled using finite strain theory and rate-independent elasto-plasticity. We design trusses with a tailored mechanical response that is between “elastic” and “elastic-ideal-plastic” subject to the volume constraint. The design updates are generated by the gradient-based Method of Moving Asymptotes (MMA) solver and the sensitivities of the response functions are computed using a path-dependent adjoint sensitivity analysis. The computations are performed in Matlab.

42 ENGINEERING↗
DOE OSTI2025

Mapping the structural–mechanical landscape of amorphous carbon with ReaxFF molecular dynamics

We use ReaxFF molecular dynamics (MD) to investigate the relationship between structural and mechanical properties in bulk and nanostructured amorphous carbon (a-C). The liquid-quench MD method is used to generate isotropic bulk samples with mass densities ranging from 0.96 to 3.29 g/cm3. Structural analysis identifies two types of structures with distinct short- and medium-range order: lower-density sp2-dominated a-C, which is characterized by a bimodal ring-size distribution, and higher-density sp3-dominated tetrahedral amorphous carbon (ta-C), exhibiting a unimodal ring-size distribution. Stress–strain MD simulations and analysis reveal how an atomistic structure impacts elastic properties and post-yield atomic rearrangements. All stretched structures demonstrate elastic isotropy and plasticity driven by a ring-size expansion mechanism reflected in changes in ring statistics. The plastic region is substantially larger in ta-C than in a-C due to the post-yield shift from sp3 to sp2 C dominant bonding. In both a-C and ta-C, ultimate failure occurs when a reactive crack, traversed by long sp chains, forms and propagates predominantly perpendicular to the direction of the applied strain. Oxygen infiltration into the fractured region significantly reduces stress resistance, primarily through the early rupture of long sp chains. MD simulations and analysis are extended to a-C slabs, a-C nanotubes, and partially a-C nanotubes. The latter nanostructure highlights the differences between the elastically isotropic a-C walls, which develop circumferential cracking, and the crystalline walls, which tear along crystallographic directions. These results provide a strong foundation for further computational characterization of a-C materials.

Dernov, A. (ORCID:0009000004220973)↗
NASA NTRS2008

Elastic-Plastic Fracture Mechanics Analysis of Critical Flaw Size in ARES I-X Flange-to-Skin Welds

NASA's Ares 1 Upper Stage Simulator (USS) is being fabricated from welded A516 steel. In order to insure the structural integrity of these welds it is of interest to calculate the critical initial flaw size (CIFS) to establish rational inspection requirements. The CIFS is in turn dependent on the critical final flaw size (CFS), as well as fatigue flaw growth resulting from transportation, handling and service-induced loading. These calculations were made using linear elastic fracture mechanics (LEFM), which are thought to be conservative because they are based on a lower bound, so called elastic, fracture toughness determined from tests that displayed significant plasticity. Nevertheless, there was still concern that the yield magnitude stresses generated in the flange-to-skin weld by the combination of axial stresses due to axial forces, fit-up stresses, and weld residual stresses, could give rise to significant flaw-tip plasticity, which might render the LEFM results to be non-conservative. The objective of the present study was to employ Elastic Plastic Fracture Mechanics (EPFM) to determine CFS values, and then compare these values to CFS values evaluated using LEFM. CFS values were calculated for twelve cases involving surface and embedded flaws, EPFM analyses with and without plastic shakedown of the stresses, LEFM analyses, and various welding residual stress distributions. For the cases examined, the computed CFS values based on elastic analyses were the smallest in all instances where the failures were predicted to be controlled by the fracture toughness. However, in certain cases, the CFS values predicted by the elastic-plastic analyses were smaller than those predicted by the elastic analyses; in these cases the failure criteria were determined by a breakdown in stress intensity factor validity limits for deep flaws (a greater than 0.90t), rather than by the fracture toughness. Plastic relaxation of stresses accompanying shakedown always increases the calculated CFS values compared to the CFS values determined without shakedown. Thus, it is conservative to ignore shakedown effects.

Chell, G. Graham↗
DOE OSTI2024

Boron-10 Doped Polysiloxanes as Matrix Materials for Application in the Simultaneous Detection and Discrimination of Gamma Rays and Fast and Thermal Neutrons

Three boron-10 enriched aromatic molecules have been synthesized and incorporated into two different commercial polysiloxane resins, Shin Etsu KER-6000 and Wacker SilRes H62-C. Scintillating fluorophores, 9,9-dimethyl-2-phenylfluorene (PhF) and 2,5-diphenyloxazole (PPO), were tested in combination with each resin and boron-10 molecule for the simultaneous detection of gamma rays, fast neutrons, and thermal neutrons. Here, the H62-C resin was able to solubilize a large amount of PhF, in excess of 20 wt%. Cure kinetics were controlled through the addition of divinylbenzene and phenyl tris(dimethylsiloxy)silane cross-linker solution to the H62-C resin, with rheology experiments demonstrating a large reduction in time to gelation when 20 wt% cross-linker solution was added, from more than 4 hours to less than 1 hour. These polysiloxane resins can be cured in 3 hours under air, while common poly(vinyltoluene) scintillators require at least 4 days of heating and oxygen-free conditions. PhF-doped KER-6000 with tolyl boronate pinacol ester exhibited the best overall performance with a light yield of 62% relative to EJ-200 and thermal neutron capture at energies up to 103 keVee (84 keVee for EJ254B-5). Additionally, four samples exhibited light yields surpassing an industry-standard boron-doped plastic scintillator, Eljen’s EJ254B-5. Over the course of ten months, the KER-6000 samples showed precipitation of dopant molecules, which reduced their light yield by 15% on average, while H62-C proved to be more stable with only a 6% reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Increasing pyrolysis oil yields and decreasing energy consumption via thermal oxo-degradation of polyolefins

Commercialization of pyrolysis of plastics in an inert atmosphere is challenging due to large thermal requirements. This study employs thermal oxo-degradation and demonstrates how oxygen supplied at modest equivalence ratios can both accelerate depolymerization and provide the enthalpy for pyrolysis without dramatically impacting desired product yields. The enthalpies for pyrolysis of high-density polyethylene (HDPE) and polypropylene (PP) are measured to be 2,300 ± 90 J g – -1 and 2,800 ± 60 J g –1 , respectively. Using air as an oxygen source in a fluidized bed reactor, HDPE and PP are rapidly deconstructed while using up to 84% less energy through the energy released by partial oxidation. Characterization of the thermal oxo-degradation product oil shows comparable composition to conventional pyrolysis oil. Thermal oxo-degradation proves to be a promising technology for upcycling of plastics by improving thermal depolymerization of waste plastics and reducing energy requirements while maintaining desirable yields.

42 ENGINEERING↗
DOE OSTI2024

Simulated signatures of ignition

Ignition on the National Ignition Facility (NIF) provides a novel opportunity to evaluate past data to identify signatures of capsule failure mechanisms. We have used new simulations of high-yield implosions as well as some from past studies in order to identify unique signatures of different ignition failure mechanisms: jetting due to the presence of voids or defects, jetting due to the capsule fill tube, interfacial mixing due to instabilities or due to plasma transport, radiative cooling due to the presence of contaminant in the hot spot, long-wavelength drive asymmetry, and preheat. Many of these failure mechanisms exhibit unique trajectories that can be distinguished through variations in experimental observables such as neutron yield, down-scattered ratio (DSR), and burn width. Our simulations include capsules using both plastic and high-density carbon ablators and span all high-yield designs considered since the beginning of the National Ignition Campaign in 2011. We observe that the variability in trajectories through the space of neutron yield, DSR, and burn width varies little across capsule design yet are unique to the failure mechanism. The experimental trajectories are most consistent with simulated preheat and jetting due to voids and defects, which are the only failure mechanisms that are indistinguishable in our analysis. This suggests that improvements to capsule compression due to improved capsule quality or reduced preheat have played a primary role in enabling high yields on NIF. Furthermore, our analysis suggests that further improvements have the potential to increase yields further.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗