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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Challenges in the mechanical recycling and upcycling of mixed postconsumer recovered plastics (PCR): A review

The presence of chemically different and compositionally varying plastics in mixed postconsumer recovered plastic (PCR) presents daunting barriers to recycling and upcycling efforts. This review systematically outlines how different processing techniques and characterization methods can be implemented to improve PCR's mechanical recycling and upcycling processes. The review further addresses the recycling challenges in the processing of mixed plastics from PCR and how their mechanical properties can be enhanced by making use of different types of compatibilizers such as copolymers, Janus nanoparticles as well as different approaches such as solid-state pulverization and microfibrillarization. In addition, the state-of-the-art applications of recycled plastics usage in automotive and construction are reviewed.

Compatibilization↗
DOE OSTI2020

The roles of yield strength mismatch, interface strength, and plastic strain gradients in fatigue crack growth across interfaces

An irreversible cohesive zone model was used to understand how plastic strain gradients and yield strength mismatches affect fatigue crack growth across bi-material and multilayer interfaces for a range of interface strengths. Parametric studies identified regimes of penetration through the interface, deflection into the interface, and a transition where cracks extend on both paths. Plastic strain gradients strongly influence the transition regime, and a yield strength mismatch is necessary to cause deflection. For crack growth across an interlayer, interactions between the interfaces occur when the crack-tip plastic zone spans the interlayer. Plastic strain gradients promote penetration through the interlayer.

42 ENGINEERING↗
DOE OSTI2016

Quantifying deformation processes near grain boundaries in α titanium using nanoindentation and crystal plasticity modeling

In this work, the influence of grain boundaries on plastic deformation was studied by carrying out nanoindentation near grain boundaries (GBs). Surface topographies of indentations near grain boundaries were characterized using atomic force microscopy (AFM) and compared to corresponding single crystal indent topographies collected from indentations in grain interiors. Comparison of the single crystal indents to indents adjacent to low-angle boundaries shows that these boundaries have limited effect on the size and shape of the indent topography. Higher angle boundaries result in a decrease in the pile-up topography observed in the receiving grain, and in some cases increases in the topographic height in the indented grain, indicating deformation transfer across these boundaries is more difficult. A crystal plasticity finite element (CPFE) model of the indentation geometry was built to simulate both the single crystal and the near grain boundary indentation (bi-crystal indentation) deformation process. The accuracy of the model is evaluated by comparing the point-wise volumetric differences between simulated and experimentally measured topographies. Good agreement, in both single and bi-crystal cases, suggests that the crystal plasticity kinematics plays a dominant role in single crystal indentation deformation, and is also essential to bi-crystal indentation. Despite the good agreement, some differences between experimental and simulated topographies were observed. These discrepancies have been rationalized in terms of reverse plasticity and the inability of the model to capture the full resistance of the boundary to slip. Lastly, this is discussed in terms of dislocation nucleation versus glide in the model and in the physics of the slip transfer process.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A crystal plasticity finite element model embedding strain-rate sensitivities inherent to deformation mechanisms: Application to alloy AZ31

We report the fundamental power-law relationship representing the flow rule in crystal visco-plasticity ensures uniqueness in the selection of slip systems accommodating imposed plastic strain-rates. The power-law relationship also introduces an artificially high strain-rate sensitivity in crystal plasticity simulations, unless a high value of the power-law exponent is used. However, the use of high values for the exponent is limited by numerical tractability. This paper presents a numerical method implemented in a crystal plasticity finite element (CPFE) model for embedding any value of the power-law exponent reflecting the true material strain-rate sensitivity. Importantly, the method does not increase computation time involved in the simulations. The enhanced CPFE model is used to interpret and predict a complex strain-rate sensitive response and microstructural evolution of AZ31 Mg alloy. Measured values of strain-rate sensitivity for slip and twinning modes are used in the simulations. Calculations show that the model successfully captures the phenomena pertaining to the effect of changing applied strain-rate on the mechanical response including flow stress and evolution of texture and twinning for a broad range of strain-rates ranging from 10 -3 s -1 to 10 3 s -1 and loading orientations in tension and compression. It is shown that such predictions are a consequence of not only relative amounts of slip and twinning activities driven by a set of accurately characterized hardening law parameters but also values of the strain-rate sensitivities inherent to individual deformation mechanisms. Besides, the model validates the measured strain-rate dependency of deformation mechanisms while accurately reproducing the mechanical data. Hence, the model can be used to verify and further refine or infer measured strain-rate sensitivity per deformation mechanism by reproducing experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Bridging microscale to macroscale mechanical property measurements of FeCrAl alloys by crystal plasticity modeling

FeCrAl alloys are candidates for accident tolerant fuel cladding of light water reactors. In this work, a microstructure- and temperature-dependent crystal plasticity model is employed to bridge microscale to macroscale mechanical property measurements of FeCrAl alloys. With the visco-plastic self-consistent (VPSC) polycrystal plasticity framework, a mechanism-based single crystal plasticity (MSCP) model adopts the Arrhenius type rate equation to describe the dependence of the critical resolved shear stress for dislocation slips on their temperature-dependent intrinsic frictional resistance and the microstructure-dependent irradiation hardening. The intrinsic frictional resistance associated with {110}<111> and {112}<111> slip systems were measured by in-situ micromechanical testing on unirradiated/irradiated samples at 25-500 °C. The irradiation hardening is estimated by the Bacon-Kocks-Scattergood (BKS) model with density and size of radiation-induced defects measured from microstructural characterization. Several features associated with thermo-mechanical behavior of unirradiated/irradiated polycrystalline FeCrAl alloys are captured. High density of deformation-induced dislocations and radiation-induced defects results in obvious hardening at room temperature, which is weakened at high temperature, and facilitates damage evolution during deformation. Moreover, both high temperature and radiation-induced defects, which facilitate dislocation multiplication, trigger large hardening rate. Finally, the proposed method together with application of accelerator-based ion irradiation technique is a surrogate approach to simulate neutron damage, improving the efficiency associated with evaluation of mechanical properties of FeCrAl alloys exposed to temperature, stress and radiation conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Image Distortions on a Plastic Interstitial Computed Tomography/Magnetic Resonance Brachytherapy Applicator at 3 Tesla Magnetic Resonance Imaging and Their Dosimetric Impact

Purpose: To quantify magnetic resonance imaging (MRI) distortions on a plastic intracavitary/interstitial applicator with plastic needles at a field strength of 3 T and to determine the dosimetric impact, using patient data. Methods and Materials: For 11 cervical cancer patients, our clinical MRI protocol was extended with 3 scans. From the first scan, a multi-echo acquisition, a map of the magnetic field (B{sub 0}) was calculated and used to quantify the field inhomogeneity. The expected displacements of the applicator were quantified for the clinical sequence using the measured field inhomogeneity and the clinical sequence's bandwidth. The second and third scan were our routine clinical sequence (duration: <5 minutes each), acquired consecutively using opposing readout directions. The displacement of the applicator between these scans is approximately twice the displacement due to B{sub 0} inhomogeneity. The impact of the displacement on the dose was determined by reconstructing the applicator on both scans. The applicator was then shifted and rotated the same distance as the observed displacement to create a worst-case scenario (ie, twice the actual displacement due to B{sub 0} inhomogeneity). Next, the dose to 98%/90% (D{sub 98}/D{sub 90}) of the clinical target volume at high risk, as well as the dose to the most irradiated 2 cm{sup 3} for bladder and rectum, were calculated for the original plan as well as the shifted plan. Results: For a volume of interest containing the intrauterine device and the ovoids the 95th percentile of the absolute displacement ranged between 0.2 and 0.75 mm, over all patients. For all patients, the difference in D{sub 98}/D{sub 90} in the opposing readout scans with the original plan was at most 4.7%/4.3%. For the dose to the most irradiated 2 cm{sup 3} of bladder/rectum, the difference was at most 6.0%/6.3%. Conclusions: The dosimetric impact of distortions on this plastic applicator with plastic needles is limited. Applicator reconstruction for brachytherapy planning purposes is feasible at 3 T MRI.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Coupled nonlinear elasticity, plastic slip, twinning, and phase transformation in single crystal titanium for plate impact loading

High purity single crystal titanium (Ti) under shockwave loading in plate impact experiment is modelled and simulated, with help of the finite element. A thermodynamically consistent system of equations is formulated in the frame of large deformation to consider material anisotropy, rate dependence, and multi-physics including nonlinear elasticity, dislocation based plastic slip, deformation twinning, and phase transformation. A novel kinematics is proposed to consider phase transformation in the α twin variants and also to consider the dislocation based slip in all of components of parent material, primary twins and the ω phase. The thermodynamically consistent driving forces for plastic slip, twinning, and phase transformation are developed based upon the second law of thermodynamics. For nonlinear elasticity, the stiffness matrix is dependent on the volume fractions of all components, and the volumetric part of Cauchy stress is obtained from the nonlinear equation of state. Dislocation based plastic slip in multi-variant and multiphase heterogeneous materials is developed and interactions of dislocations among all slip modes are taken into account. A mechanism for dislocation density evolution during twinning and phase transformation is proposed. The shock loading along the [0001] and [10$\bar{1}1$ directions of single crystal high purity Ti is investigated computationally. Very good correspondence between simulation and experiment is obtained, which includes pole figures, volume fractions of components, free surface velocity, peak pressure, and phase transformation pressure. Multiple experimental phenomena are interpreted based upon the progression of dislocation slip, deformation twinning, and phase transformation. In compression with the [10$\bar{1}1$ crystal, a higher volume fraction in the primary twins but a lower secondary twin volume fraction in the [0001] crystal in experiment was observed. Finally, the higher propensity for phase transformation occurs in the [0001] crystal is reproduced. In addition to material texture, distributions of temperature, stresses, and plastic strains dependent on the impact loading directions are revealed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermodynamic theory of crystal plasticity: Formulation and application to polycrystal fcc copper

We present a thermodynamic description of crystal plasticity. Our formulation is based on the Langer-Bouchbinder-Lookman thermodynamic dislocation theory (TDT), which asserts the fundamental importance of an effective temperature that describes the state of configurational disorder and therefore the dislocation density of the crystalline material. We extend the TDT description from isotropic plasticity to crystal plasticity with many slip systems. Finite-element simulations show favourable comparison with experiments on polycrystal fcc copper under uniaxial compression, tension, and simple shear. Here, the thermodynamic theory of crystal plasticity thus provides a thermodynamically consistent and physically rigorous description of dislocation motion in crystals. We also discuss new insights about the interaction of dislocations belonging to different slip systems.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Characterization of the microstructures and the shape memory properties of the Fe-Mn-Si-Cr-Ni-C shape memory alloy after severe plastic deformation by differential speed rolling and subsequent annealing

Highlights: • The Fe-SMA was subjected to severe plastic deformation and then annealed. • Recovery strain increased with increasing grain size. • An optimum grain size existed for the largest recovery stress. • Grain reduction is useful for having a high recovery stress. - Abstract: The Fe-13.51Mn-4.82Si-8.32Cr-3.49Ni-0.15C shape memory alloy was subjected to severe plastic deformation by high-ratio differential speed rolling and subsequent annealing (between 873 and 1373 K) to find the factors that affect recovery stress and recovery strain. As the annealing temperature increased (i. e., as grain size increased), the recovery strain increased. This was attributed to decrease in the density of grain boundaries and the density of twins with increasing grain size. The recovery stress, however, showed a different behavior. It increased with annealing temperature up to 973 K, at which an ultrafine grain size near 1.6 μm was obtained, and then decreased with further increase in the temperature. The difference between the recovery strain and the plastic strain induced by recovery stress under constrained displacement during cooling was proposed to determine the amount of recovery stress. There was an optimum grain size for the largest difference between the recovery strain and the plastic strain. The current study shows that grain-size reduction is not good for having a high recovery strain but it is beneficial for having a high recovery stress in the Fe-Mn-Si shape memory alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Plastic flow and microstructural instabilities during high-pressure torsion of Cu/ZnO composites

Highlights: • Hybrid bulk metal - ceramic nanoparticle material was processed by HPT. • ZnO nanoparticles exhibited significant plasticity of up to 86%. • Hydrodynamic instability determined the flow mode of ZnO particle clusters. • Microstructural stability of Cu decreased due to the co-deformation with ZnO. - Abstract: We conducted high-pressure torsion (HPT) of hybrid materials composed of two copper disks with a layer of ZnO ceramic nanoparticles sandwiched in-between. A detailed microstructural analysis of the processed samples revealed a surprisingly high level of plastic deformation introduced in individual ZnO particles, even though they possess a much high hardness than the surrounding Cu. Moreover, we demonstrated that by tailoring the initial geometry of the system (i.e. introducing holes in the cladding Cu disks), we can effectively change the flow mode of ZnO particle clusters from laminar to turbulent one and facilitate their deagglomeration process. Finally, the presence of ZnO particles decreased the microstructural stability of the Cu matrix. We discussed the obtained results in terms of hydrodynamic and microstructural instabilities during plastic deformation. This work expands our understandings of the cooperative severe plastic deformation of two dissimilar materials and sheds new light on the design of hybrid materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Sensitivity of polycrystal plasticity to slip system kinematic hardening laws for Al 7075-T6

The prediction of formation and early growth of microstructurally small fatigue cracks requires use of constitutive models that accurately estimate local states of stress, strain, and cyclic plastic strain. However, few research efforts have attempted to systematically consider the sensitivity of overall cyclic stress-strain hysteresis and higher order mean stress relaxation and plastic strain ratcheting responses introduced by the slip system back-stress formulation in crystal plasticity, even for face centered cubic (FCC) crystal systems. This paper explores the performance of two slip system level kinematic hardening models using a finite element crystal plasticity implementation as a User Material Subroutine (UMAT) within ABAQUS, with fully implicit numerical integration. The two kinematic hardening formulations aim to reproduce the cyclic deformation of polycrystalline Al 7075-T6 in terms of both macroscopic cyclic stress-strain hysteresis loop shape, as well as ratcheting and mean stress relaxation under strain- or stress-controlled loading with mean strain or stress, respectively. The first formulation is an Armstrong-Frederick type hardening-dynamic recovery law for evolution of the back stress. This approach is capable of reproducing observed deformation under completely reversed uniaxial loading conditions, but overpredicts the rate of cyclic ratcheting and associated mean stress relaxation. The second formulation corresponds to a multiple back stress Ohno-Wang type hardening law with nonlinear dynamic recovery. The adoption of this back stress evolution law greatly improves the capability to model experimental results for polycrystalline specimens subjected to cycling with mean stress or strain. As a result, the relation of such nonlinear dynamic recovery effects are related to slip system interactions with dislocation substructures.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Influence of plastic properties on the grain size effect on twinning in Ti and Mg

Deformation twinning is an inevitable mode of plastic deformation in hexagonal close packed (HCP) crystals and has been considered a hinderance to achieving formability and ductility. It has long been recognized that reductions in grain size can lower the propensity for twinning. In prior work, EBSD statistical analyses on big data sets of twins in pure Ti and Mg were carried out for the same twin type, loading conditions, initial texture, and range of grain sizes. Here, we revisit these data sets to investigate the role of material plastic properties on grain size effects on deformation twinning. We show that while reductions in grain size dramatically lower the number of twins per grain and the twin thickness in both metals, these effects are several times stronger in Ti than that for Mg. To rationalize this difference, full-field, 3D crystal plasticity calculations are performed. The analysis indicates that the stronger grain size effect in Ti arises due to the larger critical resolved shear stress (CRSS) of its easiest slip system, making Ti less accommodating of the twin shear than Mg. Overall, this result points to plastic properties as additional variables that can be tuned towards developing HCP materials for structural applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

3D printable polyvinyltoluene-based plastic scintillators with pulse shape discrimination

A feasibility of preparing bulk photopolymerized plastics scintillators that contain vinyltoluene with multifunctional monomers, pentaerythritol tetraacrylate is shown. This formulation offers a simple and fast way to prepare polyvinyltoluene-based plastics with efficient fast neutron/gamma pulse shape discrimination (PSD) within minutes. 30 wt% of 2,5-diphenyloxazole (PPO) was added in the mixtures of vinyltoluene and pentaerythritol tetraacrylate with different secondary dyes to understand the effect of dyes on the scintillation. Prepared resins were photopolymerized under different conditions, and the scintillation performance was compared to a commercially available standard, EJ-276. Additional functionality for thermal neutron sensitivity was introduced by the incorporation of 6 Li and 6 B nuclei. With optimized conditions, prepared plastics showed light output up to 90% relative to the same size of EJ-276. Here, the best plastic scintillators had PSD figures of merit (FoMs) up to 2.77 compared to 3.25 of EJ-276. The 3D-printability of the tested formulations was demonstrated.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Paths to circularity for plastics in the United States

In 2019, the United States consumed over 57 million metric tons (MMT) of plastic with less than 7% recovered for reuse. This study provides an updated material flow analysis at national and regional scales for all durable and single-use plastics in the United States. From this material flow analysis, we develop a series of alternative future national plastic flow scenarios that envision a scale-up of recycling technologies, incorporating technical limitations and sorting infrastructure constraints. The results suggest that a maximum of 68% (24 MMT) of plastic waste could be diverted from landfills by scaling up existing commercial recycling technologies. Based on the current technological landscape, reaching near-zero waste is only possible if processes that are operating at pilot and laboratory scales can be effectively scaled and coupled with improved sorting infrastructure. Through these scenarios with increased recycling, the availability of postconsumer resin stocks could increase by 22–43 MMT.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mixed polyester recycling can enable a circular plastic economy with environmental benefits

The mixed and varied nature of fossil-based and bio-based plastic waste requires complex and costly separations to enable compatibility with recycling technologies. A circular plastic economy based on mixed polyesters through cleaving ester bonds to produce monomers, while re-utilizing bio-based monomers to produce high-quality sustainable plastics, charts an exciting solution. However, the feasibility of such a circular economy solution remains underexplored. Here, in this study, we conducted a techno-economic analysis and life-cycle assessment of three polyester depolymerization recycling processes-methanolysis, glycolysis, and acid hydrolysis-for a mixed feedstock (polyethylene terephthalate [PET], polylactic acid [PLA], and polybutylene adipate terephthalate [PBAT]). Methanolysis outperforms glycolysis and hydrolysis economically and environmentally due to more efficient downstream separations, generating products with a 31% decrease in selling price and 21%-46% reduction in acidification, carcinogenic toxicity, fossil-fuel depletion, global warming potential, particulate formation, and smog formation compared to conventional polyester manufacturing. This study highlights the viability of a circular plastic economy for mixed polyesters via a single chemical recycling process.

09 BIOMASS FUELS↗
DOE OSTI2018

Departing from the mutual exclusiveness of strength and ductility in nanocrystalline metals with vacancy induced plasticity

We report that strength and ductility are mutually exclusive in metallic materials. To break this relationship, we start with nanocrystalline Zirconium with very high strength and low ductility. We then ion irradiate the specimens to introduce vacancies, which promote diffusional plasticity without reducing strength. Mechanical tests inside the Transmission Electron Microscope reveal about 300% increase in plastic strain after self ion-irradiation. Molecular dynamics simulation showed that 4.3% increase in vacancies near the grain boundaries can result in about 60% increase in plastic strain. Finally, both experimental and computational results support our hypothesis that vacancies may enhance plasticity through higher atomic diffusivity at the grain boundaries.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Surface treatment with Fenton for separation of acrylonitrile-butadiene-styrene and polyvinylchloride waste plastics by flotation

Highlights: • Surface treatment with Fenton was developed for flotation separation of waste plastics. • Surface treatment changes selectively the floatability of ABS surface. • Mechanism of surface treatment was studied by FT-IR and XPS analysis. • Plastic mixtures with different particle sizes and mass fractions were separated effectively. - Abstract: Surface treatment with Fenton was applied to flotation separation of acrylonitrile-butadienestyrene (ABS) and polyvinylchloride (PVC). After treatment, the floatability of ABS has a dramatic decrease, while the floatability of PVC is not affected. Fourier transform infrared spectroscopy (FT-IR) spectra and X-ray photoelectron spectroscopy (XPS) spectra were recorded to ascertain the mechanism of Fenton treatment. FT-IR and XPS analysis confirms that the introduction of oxygen-containing group occurs on the surface of ABS. The optimum conditions are molar ration (H{sub 2}O{sub 2}:Fe{sup 2+}) 10000, H{sub 2}O{sub 2} concentration 0.4 M/L, pH 5.8, treatment time 2 min and temperature 25 °C, frother concentration 15 mg/L and flotation time 3 min. Particle sizes and mixing ratios were also investigated. Plastic mixtures of ABS and PVC with different particle sizes and mixing ratios can be effectively separated. The purity of ABS and PVC are up to 100% and 99.78%, respectively; the recovery of ABS and PVC are up to 99.89% and 100%, respectively. A practical, environmentally friendly and effective reagent, namely Fenton, was originally applied to surface treatment of ABS and PVC waste plastics for flotation separation of their mixtures.

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

An experimental study on thermo-catalytic pyrolysis of plastic waste using a continuous pyrolyser

Highlights: • Thermo-catalytic pyrolysis of plastic waste in a bench scale continuous feed unit. • Utilizing RDC temperature profile to enhance oil product selectivity towards diesel. • Mesoporosity is a critical factor for coke deposition on catalyst. • Pelletised catalysts, not powder catalysts, provided higher selectivity towards diesel. - Abstract: A bench scale, two-stage, thermo-catalytic reactor equipped with a continuous feeding system was used to pyrolyse pure and waste plastics. Experiments using five zeolitic and clay-based catalysts of different forms (pellet and powders) and different plastic feedstocks – virgin HDPE, HDPE w1aste and mixed plastic waste (MPW) were compared to the control experiments – pyrolysis without catalyst. Results indicated that the two pelletized catalysts were the most promising for the conditions employed. Of these two, one with higher acidity and surface area was highly selective for the gasoline fraction (C{sub 5}–C{sub 11}) giving 80% from the total medium distillate conversion using virgin HDPE as feedstock. It also produced the least amount of olefins (17% for virgin HDPE, 4% for HDPE waste and 2% for MPW) and coke (<1% for virgin HDPE, 3% for HDPE waste and 5% for MPW), and the highest aromatics content (22% for virgin HDPE from un-distilled medium distillate, 5% for HDPE and 13% for MPW both from distilled medium distillate). The second pelletized catalyst exhibited high selectivity for the diesel fraction (C{sub 12}–C{sub 25}) giving 63% from the total medium distillate conversion using virgin HDPE as feedstock. The amount of coke deposited on the catalyst surface depended mainly on the mesopore volume, with less coke deposited as the mesopore volume increased. The variation in catalyst selectivity with acidity strength due to Lewis sites on the catalyst surface controls selectivity towards carbon chain length.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗