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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Numerical implementation of non-local polycrystal plasticity using fast Fourier transforms

Here, we present the numerical implementation of a non-local polycrystal plasticity theory using the FFT-based formulation of Suquet and co-workers. Gurtin (2002) non-local formulation, with geometry changes neglected, has been incorporated in the EVP-FFT algorithm of Lebensohn et al. (2012). Numerical procedures for the accurate estimation of higher order derivatives of micromechanical fields, required for feedback into single crystal constitutive relations, are identified and applied. A simple case of a periodic laminate made of two fcc crystals with different plastic properties is first used to assess the soundness and numerical stability of the proposed algorithm and to study the influence of different model parameters on the predictions of the non-local model. Different behaviors at grain boundaries are explored, and the one consistent with the micro-clamped condition gives the most pronounced size effect. The formulation is applied next to 3-D fcc polycrystals, illustrating the possibilities offered by the proposed numerical scheme to analyze the mechanical response of polycrystalline aggregates in three dimensions accounting for size dependence arising from plastic strain gradients with reasonable computing times.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Study of the interplay between lower-order and higher-order energetic strain-gradient effects in polycrystal plasticity

in this report strain-gradient (SG) plasticity refers to a class of non-local theories in which gradients of plastic slip determine the storage of geometrically necessary dislocations, introducing a length-scale dependence in the mechanical behavior of crystalline materials, which is otherwise lacking in local theories. In this work, we incorporate lower-order (LO) and higher-order energetic (HOE) strain-gradient effects into a crystal plasticity fast Fourier transform (FFT)-based formulation to investigate the interplay of the length scale that each strain-gradient term introduces at the microscale, and the mechanical properties that result at the macroscale. For an applicable range of length scales, we consider two systems: a 1-D two-phase face centered cubic (FCC) laminate and a 3-D FCC polycrystal, and two uniaxial deformation modes: monotonic tension and cyclic tension–compression. We show that increases in the individual LO and HOE length scales increase the hardening rate and strength of the material, respectively. When combined, the strong LO hardening is less pronounced than the effect alone due to the lowering of the gradients due to the HOE microstress. We demonstrate that the LO and HOE hardening manifest as “isotropic” (yield surface expansion) and “kinematic” (yield surface shift) effects, respectively, consistent with their theoretical origins. We show that in cyclic loading, the Bauschinger effect emerges in both local and non-local calculations and link its origins and severity to the behavior in the strain field, slip-system rates, and the HOE microforce.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Plasticity of irradiated materials at the nano and micro-scales

Here, we review here our recent work on plastic deformation in irradiated materials at the nano- and micro-scales, as revealed by Discrete Dislocation Dynamics (DDD) simulations. Two methods of including irradiation effects in the DDD framework are presented. The first directly captures the atomistic interaction mechanisms, while the second can effectively study high-dose irradiation. Computer simulations lead to new understanding of the dynamics of collective dislocation-irradiation defect interactions, as well as the quantitative analysis of the temporal and spatial characteristics associated with plastic instabilities. Based on these insights, theoretical models are developed to predict the critical conditions for dislocation channel formation. A simple probability model is proposed and demonstrated to predict the width of dislocation channels in bulk irradiated materials with good agreement with experimental data. The fundamental understanding of the origins of plastic flow localization in irradiated materials sheds light on the design of future generations of radiation-resistant materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Economic and environmental feasibility of recycling flexible plastic packaging from single stream collection

As demand for plastic increases, there is an urgent need to ramp up its collection and recycling rate. This study reports results of a pilot study in the United States to recycle flexible plastic packaging (FPP) from single stream curbside collection focusing on both the economic feasibility and carbon footprint. To explore the marketability of recycled FPP, four down-stream market pathways were studied, including roof coverboard, plastic pellets, pallets, and film. In this work, results indicated that (1) the cleaning and pelletizing process at reclaimers contributed the most to the total greenhouse gas (GHG) emissions of recycled FPP products, and (2) the GHG emissions of recycled FPP products in all four pathways are lower than the comparator products. Therefore, using a higher percentage of recycled FPP substituted in a product can result in greater GHG emission reductions. All the recycled FPP products also showed favorable economics compared to their direct competitors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Upcycling plastic waste into polyhydroxyalkanoates with high carbon conversion via CO 2 plasma-enabled deconstruction

Plastic deconstruction into fermentable intermediates is a key step for microbial bio-upcycling into value-added products. In this study, CO 2 plasma deconstruction was used as an electrified route to convert polyethylene into oxygenated intermediates and liquid (OIL). The resulting OIL was rich in fatty acids, fatty alcohols, and hydrocarbons, making it a suitable feedstock for medium-chain-length polyhydroxyalkanoate (mcl-PHA) production by Pseudomonas putida NRRL B-14688 and Pseudomonas resinovorans NRRL B-2649. Compared with batch fermentation and monocultures, fed-batch co-cultivation markedly improved biomass formation and PHA accumulation, likely due to complementary substrate utilization, particularly hydrocarbon conversion by P. resinovorans. Using virgin polyethylene-derived OIL (Vir-OIL), the co-culture achieved 40.11% mcl-PHA content and about 18% PHA yield based on total OIL fed. More importantly, OIL produced from post-consumer single-use plastic films (PCR-OIL) was directly fermented and well supported the cell growth and PHA accumulation, achieving 38.11% PHA content and about 14.7% PHA yield. Based on emulsified OIL fractions, PHA yields for Vir-OIL and PCR-OIL were comparable (∼28%). PHA granules were extracted from PCR-OIL-grown cells with high recovery (88.25%) and purity (94.8%). Five monomers were identified in the polymer, including 3-hydroxyhexanoate (3HHx), 3-hydroxyoctanoate (3HO), 3-hydroxydecanoate (3HD), 3-hydroxydodecanoate (3HDD), and 3-hydroxytetradecanoate (3HTD), with 3HO (44.28%) and 3HD (40.60%) as the dominant units. The polymer exhibited moderate molecular weight and narrow dispersity (M n = 65.4 kDa, M w = 92.1 kDa, Đ = 1.40) and low crystallinity (T m ≈ 76.6 °C, X c ≈ 15.5%). These characteristics indicate elastomer-like behavior, making the material suitable for flexible applications such as films, coatings, adhesives, and blend modifiers. Overall, this study establishes a CO 2 plasma-assisted route for generating fermentable polyethylene-derived intermediates and demonstrates that fed-batch co-culture fermentation can effectively funnel plastic-derived carbon into mcl-PHA.

42 ENGINEERING↗
DOE OSTI2019

Elastic-plastic deformation of molybdenum single crystals shocked to 12.5 GPa: Crystal anisotropy effects

Here, to understand crystal anisotropy effects on shock-induced elastic-plastic deformation of molybdenum (Mo), results from high-purity single crystals shocked along [110] and [111] orientations to an elastic impact stress of 12.5 GPa were obtained and compared with the [100] results previously reported [A. Mandal and Y. M Gupta, J. Appl. Phys. 121, 045903 (2017)]. Measured wave profiles showed a time-dependent response, and strong anisotropy was observed in the elastic wave attenuation with the propagation distance, elastic limits, shock speeds, and overall structure of the wave profiles. Resolved shear stresses on {110} $\langle$111$\rangle$ and {112} $\langle$111$\rangle$ slip systems provided insight into the observed anisotropy in elastic wave attenuation and elastic limits and showed that shear stresses, and not longitudinal stresses, are a better measure of strength in shocked single crystals. Under shock compression, resolved shear stresses at elastic limits were comparable to the Peierls stress of screw dislocations in Mo. Elastic wave attenuation was rapid when shear stresses were larger than the Peierls stress. Large differences in the elastic limits under shock and quasi-static loading are likely a consequence of the large Peierls stress value for Mo. Numerically simulated wave profiles, obtained using the dislocation-based plasticity model described in the [100] work, showed good agreement with all measured wave profiles but could not differentiate between the {110} $\langle$111$\rangle$ and {112} $\langle$111$\rangle$ slip systems. Overall, experimental results and corresponding numerical simulations for the three crystal orientations have provided a comprehensive insight into shock-induced elastic-plastic deformation of Mo single crystals, including the development of a continuum material model.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Utilizing integrated neutron diffraction and elastoplastic self-consistent crystal plasticity model to quantitatively assess the strengthening mechanism in Al–12.5Ce and Al–12.5Ce–0.4Mg alloys

An integrated in-situ neutron diffraction and elastic plastic self-consistent crystal plasticity (EPSC-CP) modeling scheme is performed on a binary Al–12Ce alloy and a ternary Al–12Ce–0.4Mg alloys. Using this scheme, the constitutive parameters, i.e. elastic constants and slip system parameters of individual phases can be calibrated which can be used in microstructure-based CP models to predict materials performance. From this study, it is shown that the elastic constants of Al 11 Ce 3 intermetallics calculated from density function theory calculation in the literature are rather accurate. When applied to the EPSC-CP model, the lattice strains of both the binary and ternary alloys are correctly predicted as compared with experiments, and large lattice strain differences between Al (100) plane and Al 11 Ce 3 (010) plane are demonstrated. The slip system parameters calibrated by the scheme shows that the addition of 0.4 wt% Mg in the alloy has little influence on the critical resolved shear stress of initial dislocation glide in the Al matrix which caused plastic yield in the material. This can be explained by the very dilute Mg solute content in the Al solid solution, causing large spacing of Al–Mg lattice misfit sites and little impact on resistance of dislocation glide at initial yield. The 0.4 wt% Mg addition, on the other hand, has a large influence on the hardening term in the slip system parameters, indicating those Al–Mg misfit sites do help dislocation accumulation during the deformation. The impact of dilute Mg addition on the Al slip system parameters is also reflected in the flow behavior of the ternary alloy: little impact on the yield stress, but a large impact on working hardening and tensile strength of the materials which is consistent with the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Unraveling the discontinuous plastic flow of a Co-Cr-Fe-Ni-Mo multiprincipal-element alloy at deep cryogenic temperatures

We report an analysis of the discontinuous plastic flow of a multiprincipal-element alloy, Co 17.5 Cr 12.5 Fe 55 Ni 10 Mo 5 (atomic percent, at. %), in the temperature range of 0.5–4.2 K showing serrated deformation curves. Using the analytical techniques, we studied the statistics of the stress drops associated with the unstable plastic flow. The analysis showed that the complexity and heterogeneity of a discontinuous plastic flow were reduced when the temperature was lowered. This behavior was associated with the effects of dynamic recovery and adiabatic heating on the dislocation-density evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2015

SU-E-T-486: In Vivo Skin Dosimetry Using the Exradin W1 Plastic Scintillation Detector for Passively Scattered Proton Beam Therapy

Purpose: To evaluate the accuracy and usefulness of plastic scintillation detectors used for skin dosimetry of patients undergoing passive scatter proton therapy. Methods: Following an IRB approved protocol, six patients undergoing passively scattered proton beam therapy for prostate cancer were selected for in vivo skin dosimetry using the Exradin W1 plastic scintillator. The detector was calibrated on a Cobalt-60 unit, and phantom measurements in the proton beam with the W1 and a calibrated parallel plate ion chamber were used to account for the under-response due to high LET at energies used for treatment. Measurements made in a heated water tank were used to account for temperature dependence. For in vivo measurements, the W1 is fixed to the patient’s skin with medical tape in the center of each of two laterally opposed treatment fields. Measurements will be performed once per week for each patient for the duration of treatment, for a total of thirty six measurements. The measured dose will be compared to the expected dose, extracted from the Eclipse treatment planning system. The average difference over all measurements and per-patient will be computed, as well as standard deviations. Results: The calibrated detector exhibited a 7% under-response in 225 and 250 MeV beams, and a 4% under-response when used at 37 °C (relative to the response at the calibration temperature of 20 °C). Patient measurements are ongoing. Conclusion: The Exradin W1 plastic scintillator detector is a strong candidate for in vivo skin dosimetry in passively scattered proton beams as PSDs are water equivalent and very small (2mm in diameter), permitting accurate measurements that do not perturb the delivered dose. This project was supported in part by award number CA182450 from the National Cancer Institute.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Energy dependent response of plastic scintillation detectors to photon radiation of low to medium energy

Purpose: Plastic scintillation detectors are promising candidates for the dosimetry of low- to medium-energy photons but quantitative knowledge of their energy response is a prerequisite for their correct use. The purpose of this study was to characterize the energy dependent response of small scintillation detectors (active volume <1 mm{sup 3}) made from the commonly used plastic scintillator BC400. Methods: Different detectors made from BC400 were calibrated at a number of radiation qualities ranging from 10 to 280 kV and at a {sup 60}Co beam. All calibrations were performed at the Physikalisch-Technische Bundesanstalt, the National Metrology Institute of Germany. The energy response in terms of air kerma, dose to water, and dose to the scintillator was determined. Conversion factors from air kerma to dose to water and to dose to the scintillator were derived from Monte Carlo simulations. In order to quantitatively describe the energy dependence, a semiempirical model known as unimolecular quenching or Birks’ formula was fitted to the data and from this the response to secondary electrons generated within the scintillator material BC400 was derived. Results: The detector energy response in terms of air kerma differs for different scintillator sizes and different detector casings. It is therefore necessary to take attenuation within the scintillator and in the casing into account when deriving the response in terms of dose to water from a calibration in terms of air kerma. The measured energy response in terms of dose to water for BC400 cannot be reproduced by the ratio of mean mass energy-absorption coefficients for polyvinyl toluene to water but shows evidence of quenching. The quenching parameter kB in Birks’ formula was determined to be kB = (12.3 ± 0.9) mg MeV{sup −1} cm{sup −2}. Conclusions: The energy response was quantified relative to the response to {sup 60}Co which is the common radiation quality for the calibration of therapy dosemeters. The observed energy dependence could be well explained with the assumption of ionization quenching as described by Birks’ formula. Plastic scintillation detectors should be calibrated at the same radiation quality that they will be used at and changes of the spectrum within the application need to be considered. The authors results can be used to evaluate the range of validity of a given calibration.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

MAGNETAR FIELD EVOLUTION AND CRUSTAL PLASTICITY

The activity of magnetars is believed to be powered by colossal magnetic energy reservoirs. We sketch an evolutionary picture in which internal field evolution in magnetars generates a twisted corona, from which energy may be released suddenly in a single giant flare, or more gradually through smaller outbursts and persistent emission. Given the ages of magnetars and the energy of their giant flares, we suggest that their evolution is driven by a novel mechanism: magnetic flux transport/decay due to persistent plastic flow in the crust, which would invalidate the common assumption that the crustal lattice is static and evolves only under Hall drift and Ohmic decay. We estimate the field strength required to induce plastic flow as a function of crustal depth, and the viscosity of the plastic phase. The star’s superconducting core may also play a role in magnetar field evolution, depending on the star’s spindown history and how rotational vortices and magnetic fluxtubes interact.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

A Plastic-Crystal Electrolyte Interphase for All-Solid-State Sodium Batteries

The development of all-solid-state rechargeable batteries is plagued by a large interfacial resistance between a solid cathode and a solid electrolyte that increases with each charge–discharge cycle. The introduction of a plastic–crystal electrolyte interphase between a solid electrolyte and solid cathode particles reduces the interfacial resistance, increases the cycle life, and allows a high rate performance. In this work, comparison of solid-state sodium cells with 1) solid electrolyte Na 3 Zr 2 (Si 2 PO 4 ) particles versus 2) plastic–crystal electrolyte in the cathode composites shows that the former suffers from a huge irreversible capacity loss on cycling whereas the latter exhibits a dramatically improved electrochemical performance with retention of capacity for over 100 cycles and cycling at 5 C rate. The application of a plastic–crystal electrolyte interphase between a solid electrolyte and a solid cathode may be extended to other all-solid-state battery cells.

25 ENERGY STORAGE↗
DOE OSTI2021

Synthetic Lubricants Derived from Plastic Waste and their Tribological Performance

The energy efficiency, mechanical durability, and environmental compatibility of all moving machine components rely heavily on advanced lubricants for smooth and safe operation. Herein an alternative family of high-quality liquid (HQL) lubricants was derived by the catalytic conversion of pre- and post-consumer polyolefin waste. The plastic-derived lubricants performed comparably to synthetic base oils such as polyalphaolefins (PAOs), both with a wear scar volume (WSV) of 7.5×10 -5 mm -3 . HQLs also performed superior to petroleum-based lubricants such as Group III mineral oil with a WSV of 1.7×10 -4 mm -3 , showcasing a 44% reduction in wear. Furthermore, a synergistic reduction in friction and wear was observed when combining the upcycled plastic lubricant with synthetic oils. Additionally, life cycle and techno-economic analyses also showed this process to be energetically efficient and economically feasible. This novel technology offers a cost-effective opportunity to reduce the harmful environmental impact of plastic waste on our planet and to save energy through reduction of friction and wear-related degradations in transportation applications akin to synthetic oils.

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

Thermoplasticity and strain localization in transversely isotropic materials based on anisotropic critical state plasticity

Geomaterials including soils and rocks are inherently anisotropic and sensitive to temperature changes caused by various internal and external processes. They are also susceptible to strain localization in the form of shear bands when subjected to critical loads. In this paper, we present a thermo-plastic framework for modeling coupled thermo-mechanical response and for predicting the inception of a shear band in a transversely isotropic material using the general framework of critical state plasticity and the specific framework of an anisotropic modified Cam-Clay model. The formulation incorporates anisotropy in both elastic and plastic responses under the assumption of infinitesimal deformation. The model is first calibrated using experimental data from triaxial tests to demonstrate its capability in capturing anisotropy in the mechanical response. Subsequently, stress-point simulations of strain localization are carried out under two different conditions, namely, isothermal localization and adiabatic localization. The adiabatic formulation investigates the effect of temperature on localization via thermo-mechanical coupling. Numerical simulations are presented to demonstrate the important role of anisotropy, hardening, and thermal softening on strain localization inception and orientation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Natural Glyceryl Tributyrate as Plasticizer and Compatibilizer on the Performance of Bio-Based Polylactic Acid/poly(3-hydroxybutyrate) Blends

Bio-based poly(lactic acid)/poly(3-hydroxybutyrate) (PLA/PHB) films were melt-blended with a natural hydrophobic plasticizer (glyceryl tributyrate, TB) at three different concentrations (10, 15 and 20% by weight per 100 parts of the blends) to study the effect of TB on the final properties of the materials. The pursued aim was to obtain a material with potential use in the packaging industry. Two different PLA/PHB ratios were used, 70/30 and 60/40, respectively. A full characterization of the developed blends was carried out, including the morphological, thermal, mechanical and barrier properties. The thermal test revealed the immiscibility between PLA and PHB by showing two glass transition temperatures for the blends and biphasic melt. Mechanical tests showed the increased in the elongation at break as the plasticizer content in films increased. The incorporation of PHB crystals in the PLA matrix displayed an improvement in the water barrier properties of materials. Finally, formulations PLA/PHB-TB with 15 wt% of plasticizer presented the best combination of properties suitable for the intended use in films manufacturing, showing toughness and ductility, good water barrier properties and transparency with slightly amber color.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Plastic Deformation of Materials Under Loading Along Piecewise Smooth Trajectories with Areas of Unloading by the Elastic Law

Within the framework of a version of plasticity theory based on the concept of slip, we propose a method for the determination of plastic strains in materials with regard for the strain anisotropy in the case of loading applied along piecewise smooth trajectories (with areas of unloading according to the elastic law). The material function of plasticity Π used in this theory is determined, for a given function of hardening F , either from the tension–compression tests or from the tests with alternating torsion of thin-walled pipes.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mechanical Properties, Microstructural Evolution, and the Effect of Friction on the Plastic Flow of the AISI 321 Austenitic Stainless Steel Tube During Cold Pilgering: An Experimental and Simulation Analysis

The mechanical properties, microstructural evolution, and the effect of friction on the plastic flow of the AISI 321 austenitic stainless steel (ASS) tube were investigated during the cold pilger process. The elastic–plastic behavior of as-received tube was simulated by the Johnson-cook model. The model parameters were obtained by the compression and tensile tests. The mechanical properties of the material were examined by the tensile and microhardness tests. Based on the ring compression test results, three different situations for friction conditions were considered. The stress and strain states at these conditions were examined for the outer and inner surfaces of the tube. Numerical evaluation of plastic shearing due to the cold pilgering of the AISI321 tube was performed. The X-ray diffraction, ferrite scope tests, and optical microscope were also used for the microstructure evaluation and verification of the simulation results, respectively. The Latham-Cockcraft damage was calculated for different conditions by introducing the new subroutine, showing that it was strongly dependent on the friction conditions and the shear strain, ε{sub zr}, respectively. It was shown that the friction coefficient of 0.3 resulted in the minimum damage of the tube and the different friction conditions between the two surfaces of the tube enhanced the damage function. Also, the strain induced ά-martensite increased the work-hardening capacity and affected the ductility of the tube.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Analysis of Plastic Flow Instability During Superplastic Deformation of the Zn-Al Eutectoid Alloy Modified with 2 wt.% Cu

The aim of this work is to analyze the plastic flow instability in Zn-21Al-2Cu alloy deformed under 10{sup −3} s{sup −1} and 513 K, which are optimum conditions for inducing superplastic behavior in this alloy. An evaluation using the Hart and Wilkinson–Caceres criteria showed that the limited stability of plastic flow observed in this alloy is related to low values of the strain-rate sensitivity index (m) and the strain-hardening coefficient (γ), combined with the tendency of these parameters to decrease depending on true strain (ε). The reduction in m and γ values could be associated with the early onset of plastic instability and with microstructural changes observed as function of the strain. Grain growth induced by deformation seems to be important during the first stage of deformation of this alloy. However, when ε > 0.4 this growth is accompanied by other microstructural rearrangements. These results suggest that in this alloy, a grain boundary sliding mechanism acts to allow a steady superplastic flow only for ε < 0.4. For ε values between 0.4 and 0.7, observed occurrences of microstructural changes and severe neck formation lead to the supposition that there is a transition in the deformation mechanism. These changes are more evident when ε > 0.7 as another mechanism is thought to take over.

36 MATERIALS SCIENCE↗