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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Micromechanical analysis of filamentary metal matrix composites under longitudinal loading

A two-material composite cylinder model (CCM) was considered for the study of the mechanical behavior at different temperatures of a fiber-reinforced silicon carbide/aluminum (SiC/Al) composite. An elastoplastic analysis of the model was performed in which the fiber was assumed to be linear elastic and the matrix elastoplastic with work-hardening. The analysis was based on the deformation theory of plasticity in conjunction with the von-Mises yield criterion. Experimental stress-strain curves of an SiC/Al composite were obtained at 24 and 288 C (75 and 550 F). The complete three-dimensional stress distribution in the composite using the CCM was determined. It was found that, in addition to longitudinal stresses, transverse stresses in both the fiber and the matrix were developed as a result of the different Poisson's ratios of the two materials. The transverse stresses, although much smaller than the longitudinal stresses, contributed to the plastic deformation of the matrix. The experimental stress-strain curves were favorably compared with the theoretical predictions.

Gdoutos, Emmanuel E.↗
NASA NTRS2017

Creep, Fatigue and Environmental Interactions and Their Effect on Crack Growth in Superalloys

Complex interactions of creep/fatigue/environment control dwell fatigue crack growth (DFCG) in superalloys. Crack tip stress relaxation during dwells significantly changes the crack driving force and influence DFCG. Linear Elastic Fracture Mechanics, Kmax, parameter unsuitable for correlating DFCG behavior due to extensive visco-plastic deformation. Magnitude of remaining crack tip axial stresses controls DFCG resistance due to the brittle-intergranular nature of the crack growth process. Proposed a new empirical parameter, Ksrf, which incorporates visco-plastic evolution of the magnitude of remaining crack tip stresses. Previous work performed at 704C, extend the work to 760C.

environmental interactions↗
DOE OSTI2023

Efficient and selective dual-pathway polyolefin hydro-conversion over unexpectedly bifunctional M/TiO 2 -anatase catalysts

The huge scale of plastic waste generation and its environmental consequences drive the demands for catalytic plastic upcycling processes. Here, we report efficient polypropylene (PP) hydro-conversion over Ru and Ni supported on a sol-gel anatase TiO 2 (TiO 2 -A-SG). A small number of Brønsted acid sites on TiO 2 -A-SG enables hydrocracking, improving efficiency, steering the selectivity towards high-valued C 4-20 , and allowing more isomerization, compared to Ru-based monofunctional hydrogenolysis catalysts. The relative contribution of hydrocracking increases with lower hydrogen partial pressure, more branched substrates, and lower Ru loading. Ni/TiO 2 -A-SG exhibits superior hydrocracking activity and selectivity to Ni on conventional Brønsted-acidic supports, particularly zeolites. Further, mechanistic studies shows fast isomerization and sequential ß-scissions caused by strong polymer-catalyst interaction and fast cracking with abundant 3 C. This favors C 4-12 formation and prevents secondary reactions. This work demonstrated a novel, highly efficient noble-metal-free catalyst for plastic waste upcycling, while advancing the mechanistic understanding of polyolefin hydro-conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Effect of heat treatment on the tensile behavior of selective laser melted Ti-6Al-4V by in situ X-ray characterization

Selective Laser Melted Ti-6Al-4V (as-SLMed) exhibits decreased yield strength, increased work hardening, and increased ductility after heat treatment at 730 degrees C (HT-730) or 900 degrees C (HT-900) for 2 h. To understand the change of mechanical properties, in situ high energy X-ray diffraction (HEXRD) is used to examine the phase composition, load partitioning, slip system activity, and dislocation density evolution in all three specimens. The as-SLMed specimen is dominated by martensitic α'. After heat treatment, α' partly or fully decomposes into α+β, reducing the yield strength. In HT-730, beta precipitates with confined size show much higher lattice strain than the α'/α matrix during deformation; in HT-900, the lattice strain difference is mostly eliminated. This is a key reason for the increased ductility in HT-900. From the anisotropic lattice strain development, basal slip is identified as the easiest slip system in α'/α. Using an elasto-plastic self-consistent (EPSC) model, the critical resolved shear stress ratio between prismatic slip and basal slip (CRSS prism /CRSS basal ) is estimated to be 1.31 and 1.16 in the as -SLMed and the HT-900 specimens, respectively. Further, the alpha phase in HT-900 is able to activate multiple slip systems and accumulate more dislocations during plastic deformation. This explains why HT-900 has better ductility and higher work hardening rate than the other two specimens.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Shock compression of molybdenum single crystals to 110 GPa: Elastic–plastic deformation and crystal anisotropy

To explore the role of crystal anisotropy on the elastic-plastic deformation of BCC single crystals at high shock stresses, molybdenum (Mo) single crystals were shock compressed along [100], [111], and [110] orientations at elastic impact stresses between 20 and 110 GPa. Laser interferometry was used to measure shock wave velocities and particle velocity histories. Along the [100] and [111] orientations, elastic-plastic waves (two wave structure) were observed up to 110 GPa. Along the [110] orientation, the two wave structure was observed only up to 90 GPa. The measured elastic wave amplitudes were analyzed to determine crystal anisotropy effects, impact stress dependence, and the activated slip systems on the Hugoniot elastic limit. The results from our work have provided insight into the role of crystal anisotropy on the elastic-plastic deformation under shock compression at high stresses.

42 ENGINEERING↗
DOE OSTI2021

Intrinsic synaptic plasticity of ferroelectric field effect transistors for online learning

Nanoelectronic devices emulating neuro-synaptic functionalities through their intrinsic physics at low operating energies is imperative toward the realization of brain-like neuromorphic computers. In this work, we leverage the non-linear voltage dependent partial polarization switching of a ferroelectric field effect transistor to mimic plasticity characteristics of biological synapses. Here, we provide experimental measurements of the synaptic characteristics for a 28nm high-k metal gate technology based device and develop an experimentally calibrated device model for large-scale system performance prediction. Decoupled read-write paths, ultra-low programming energies and the possibility of arranging such devices in a cross-point architecture demonstrate the synaptic efficacy of the device. Our hardware-algorithm co-design analysis reveals that the intrinsic plasticity of the ferroelectric devices has potential to enable unsupervised local learning in edge devices with limited training data

42 ENGINEERING↗
DOE OSTI2023

Evaluation of mixed #3–7 plastic waste from material recovery facilities (MRFs) in the United States

Plastic recycling rates are still low in the United States (U.S.), with less than 10% of municipal solid waste (MSW) plastic being recycled. Most unrecycled plastics are identified by Resin Identification Codes (RIC) from #3–7, which are commonly destined for landfill or waste-to-energy facilities (WTE). Therefore, the composition and quality of outbound bales containing #3–7 plastics were assessed to understand the potential to increase recycling rates. Three bales were sourced from three different Material Recovery Facilities (MRFs) located in the United States. Each bale was manually sorted and characterized for quality and performance via multiple plastic characterization techniques. Considerable differences in bale composition were observed between MRFs, which correlated with the technology used by each MRF in the sorting process. The differences were substantial in the residual levels of poly(ethylene terephthalate) (PET) and high-density polyethylene (HDPE), which are highly desired for mechanical recycling processes and not expected in #3–7 plastics bales. Traditional recycling processes including washing, extrusion, and injection molding of the sorted material were employed prior to the physical, thermal, and molecular characterization. Despite differences in bale composition by plastic type, some polymer properties were similar across MRFs. Here, this research suggests that landfill-diverted mixed plastic waste can be utilized in the mechanical recycling of currently unrecycled materials, as processes can be designed to work with consistent polymer properties. It also highlights the need to upgrade the sorting systems to prevent waste feedstocks, which can be recycled with current technologies, from contaminating other plastic streams or reach landfills.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the computational solution of vector-density based continuum dislocation dynamics models: A comparison of two plastic distortion and stress update algorithms

Continuum dislocation dynamics models of mesoscale plasticity consist of dislocation transport-reaction equations coupled with crystal mechanics equations. The coupling between these two sets of equations is such that dislocation transport gives rise to the evolution of plastic distortion (strain), while the evolution of the latter fixes the stress from which the dislocation velocity field is found via a mobility law. Earlier solutions of these equations employed a staggered solution scheme for the two sets of equations in which the plastic distortion was updated via time integration of its rate, as found from Orowan's law. In this work, we show that such a direct time integration scheme can suffer from accumulation of numerical errors. We introduce an alternative scheme based on field dislocation mechanics that ensures consistency between the plastic distortion and the dislocation content in the crystal. The new scheme is based on calculating the compatible and incompatible parts of the plastic distortion separately, and the incompatible part is calculated from the current dislocation density field. Stress field and dislocation transport calculations were implemented within a finite element based discretization of the governing equations, with the crystal mechanics part solved by a conventional Galerkin method and the dislocation transport equations by the least squares method. A simple test was first performed to show the accuracy of the two schemes for updating the plastic distortion, which shows that the solution method based on field dislocation mechanics is more accurate. This method then was used to simulate an austenitic steel crystal under uniaxial loading and multiple slip conditions. By considering dislocation interactions caused by junctions, a hardening rate similar to discrete dislocation dynamics simulation results was obtained. Finally, the simulations show that dislocations exhibit some self-organized structures as the strain is increased.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A predictive discrete-continuum multiscale model of plasticity with quantified uncertainty

Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of uncertainty in the computational predictions delivered by them. In this work, a sequential multiscale model has been developed, incorporating discrete dislocation dynamics (DDD) simulations and a strain gradient plasticity (SGP) model to predict the size effect in plastic deformations of metallic micro-pillars. The DDD simulations include uniaxial compression of micro-pillars with different sizes and over a wide range of initial dislocation densities and spatial distributions of dislocations. An SGP model is employed at the continuum level that accounts for the size-dependency of flow stress and hardening rate. Sequences of uncertainty analyses have been performed to assess the predictive capability of the multiscale model. The variance-based global sensitivity analysis determines the effect of parameter uncertainty on the SGP model prediction. The multiscale model is then constructed by calibrating the continuum model using the data furnished by the DDD simulations. A Bayesian calibration method is implemented to quantify the uncertainty due to microstructural randomness in discrete dislocation simulations (density and spatial distribution of dislocations) on the macroscopic continuum model prediction (size effect in plastic deformation). Here, the outcomes of this study indicate that the discrete-continuum multiscale model can accurately simulate the plastic deformation of micro-pillars, despite the significant uncertainty in the DDD results. Additionally, depending on the macroscopic features represented by the DDD simulations, the SGP model can reliably predict the size effect in plasticity responses of the micropillars with below 10% of error.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Hybrid biological-chemical strategy for converting polyethylene into a recyclable plastic monomer using engineered Corynebacterium glutamicum

Converting polyethylene (PE) into valuable materials, particularly ones that are better for the environment than the incumbent plastics, not only helps mitigate environmental issues caused by plastic waste but also alleviates the long-standing problem of microbial fermentation competing with food supplies. However, the inherent robustness of PE due to its strong carbon-carbon bonds and high molecular weight necessitates harsh decomposition conditions, resulting in diverse decomposition outcomes that present significant challenges for downstream applications, especially for bioconversion. In this study, we demonstrate a hybrid biological-chemical conversion process for PE, converting its decomposition products, namely short-chain diacids, into a monomer, β-keto-δ-lactone (BKDL), for highly recyclable polydiketoenimine plastics using engineered Corynebacterium glutamicum. Since BKDL synthesis requires a substantial supply of malonyl-CoA, we employed an alternative biosynthesis pathway that leverages C. glutamicum's natural proficiency in amino acid production. We optimized this pathway in vivo by minimizing carbon loss to CO2 and byproducts, improving the transporter system, and maximizing co-factor regeneration. Furthermore, we co-optimized the PE deconstruction process to produce predominantly C4 to C6 diacids and integrated three catabolic pathways into the engineered strain to enhance diacid utilization, maximizing the carbon conversion from PE. Finally, an engineered polyketide synthase was introduced into C. glutamicum to enable BKDL synthesis. This work demonstrates the potential of a chemo-biological hybrid strategy for recycling plastic waste, highlighting its promise in addressing environmental challenges and promoting sustainable materials.

Zhan, Chunjun↗
DOE OSTI2024

Progress on Photo‐, Electro‐, and Photoelectro‐Catalytic Conversion of Recalcitrant Polyethylene, Polypropylene, and Polystyrene ‐ A Review

Abstract Recalcitrant waste plastics such a polyethylene, polypropylene, and polystyrene are difficult to recycle and are mostly disposed of in landfills and eventually leached into the environmental as micro‐ and nano‐plastics. This review explores how photo‐, electro‐, and combined photoelectro‐catalytic processes can assist in the degradation and upcycling of waste plastic into different chemicals and mitigate their release to the environment. In this work, we discuss how the different reaction mechanisms proceed, explore the current relevant literature, and highlight the developments needed to advance the field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Working toward a three-dimensional fatigue closure model for surface cracks

The first reliable elastic fracture mechanics solutions for a surface crack in a plate were obtained by Newman and Raju. The authors, both from the Mechanics of Materials Branch at NASA-Langley, used a highly detailed finite element solution requiring substantial computational resources. Computers have since become more powerful and available; however, many important related problems remain computationally expensive. The problem of three-dimensional fatigue crack growth taking into account plasticity-induced crack closure is one such problem. It is the goal of this research to provide an efficient method to account for three-dimensional crack closure in fatigue. Newman developed a two-dimensional plasticity-induced crack closure model for center cracked specimens. This model requires iterations to determine both the contact solution at each growth step and the extent of the plastic zone at the crack tip. A three-dimensional version of this model would require obtaining these nonlinear variables all along the crack front. This model must be efficient so that repeated calculations can be performed during crack growth simulations. The highly versatile line spring model (LSM) with contact, fatigue, and plasticity will form the basis of the closure model. There are several required additions to past work to address the three-dimensional crack closure problem. Initially, these additions will include (1) an improved LSM to more accurately obtain the crack opening displacement, stress intensity factors, and elastic T-stress near the ends of the surface crack; (2) a method to determine the extent of the plastic zone all along the crack front; (3) a method to determine the contact zone given a perfectly plastic layer of material on the crack surfaces; (4) a method to determine the magnitude of the compressive contact stress; and (5) a way to implement the degree of constraint along the curved crack front. During the summer ASEE program an enhanced LSM was developed. A method similar to that of 'strip synthesis' first introduced by Fujimoto was used. Briefly, the crack opening displacements of 'slices' of the surface crack in a direction parallel to the plate surface are considered in addition to the standard LSM approach that makes use of springs obtained from slices perpendicular to the plate surface. This enhancement is necessary so that an accurate three-dimensional representation of quantities such as contact zone size, plastic zone size, stress intensity factors, T-stress, and crack opening displacement can be determined. By combining results of previous investigations with the LSM, the problem of three-dimensional crack closure will be addressed. In addition to a closure model, the enhanced LSM can be used for many other problems including interacting surface cracks and fatigue crack growth of a through crack with a curved crack front.

Joseph, Paul F.↗
DOE OSTI2025

Plastic-waste hydrogenolysis over two-dimensional MXene-supported ruthenium catalysts with tunable interlayer spacing

The hydrogenolysis of plastics is limited by active-site inaccessibility and inefficient mass transport of bulky polymer chains. To overcome these challenges, this work developed two-dimensional MXene-supported Ru (Ru@MXene) catalysts. Lyophilization of a solution containing dispersed MXene sheets and Ru precursors enabled the confinement of Ru species within the MXene interlayers, which act as pillars to expand the interlayer spacing. Building on this, a silica-pillared MXene-supported Ru (Ru@P-MXene) with even larger interlayer spacing exhibited a reaction rate of 914.9 g C5–C35 g Ru –1 h –1 for the hydrogenolysis of low-density polyethylene (LDPE) into valuable liquid chemicals (e.g., C 5 –C 35 ). A comparison of product yields between Ru@P-MXene and Ru@MXene suggests that elongated Ru particles confined within the MXene support expose their side facets for the reaction. In conclusion, this work demonstrates a new application of MXene in thermochemical catalysis, offering a solution to the challenges of active-site accessibility, mass transport, and reaction confinement in chemical plastic upcycling.

2D materials↗
DOE OSTI2024

Unified cohesive zone model (UCZM) for fracturing and fragmenting solids

Here, a Unified Cohesive Zone Model (UCZM), which inherits most of the advantages while overcoming the shortcomings of existing Cohesive Zone Models (CZMs), is proposed. Similar to the traditional extrinsic CZM approach, UCZM dynamically inserts the cohesive elements into the system based on local material states (e.g., stress, strain). However, the transition from continua to discontinua is smoothly achieved, thereby eliminating the “time-discontinuous” issue seen in the extrinsic CZM. Moreover, within the novel UCZM framework, the point of transition from continua to discontinua is controllable through the introduction of crack initialization criteria. As a result, the UCZM allows any material models (e.g., elastic, plastic, damage models) for continuum solids and for discrete fracture behavior to work together. In essence, both an enhanced extrinsic cohesive zone model and an intrinsic cohesive zone model can be represented by the proposed unified model. The proposed UCZM has been verified through different numerical examples. The work demonstrates that the UCZM is a highly effective approach for modeling fracture and fragmentation processes in solids.

42 ENGINEERING↗
DOE OSTI2021

Pseudoelasticity of SrNi2P2 Micropillar via Double Lattice Collapse and Expansion

The maximum recoverable strain of most crystalline solids is less than 1% because plastic deformation or fracture usually occurs at a small strain. In this work, we show that a SrNi 2 P 2 micropillar exhibits pseudoelasticity with a large maximum recoverable strain of ~14% under uniaxial compression via unique reversible structural transformation, double lattice collapse–expansion that is repeatable under cyclic loading. Its high yield strength (~3.8 ± 0.5 GPa) and large maximum recoverable strain bring out the ultrahigh modulus of resilience (~146 ± 19 MJ/m 3 ), a few orders of magnitude higher than that of most engineering materials. The double lattice collapse–expansion mechanism shows stress–strain behaviors similar to that of conventional shape-memory alloys, such as hysteresis and thermo-mechanical actuation, even though the structural changes involved are completely different. Our work suggests that the discovery of a new class of high-performance ThCr 2 Si 2 -structured materials will open new research opportunities in the field of pseudoelasticity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Mechanically flexible mid-wave infrared imagers using black phosphorus ink films

The mid-wave infrared (MWIR) spectral range (λ = 3–8 μm) enables important sensing and imaging applications, including non-invasive bioimaging, night vision, and autonomous navigation. Commercial MWIR photodetectors are limited to rigid imagers based on heteroepitaxial materials. There is an emerging need for mechanically flexible MWIR imagers to broaden their functionality and practicality. Recently, photodetectors using van der Waals (vdW) black phosphorus (BP) flakes have demonstrated highly sensitive room-temperature photodetection. Additionally, vdW materials are solution-processable, facilitating scalable processing and flexible device fabrication. In this work, we present flexible MWIR imagers consisting of photodiodes fabricated on thin plastic substrates using BP ink films. We demonstrate mechanically robust responsivity up to 2.5-mm bending radii and after 5000 bending cycles. Leveraging this flexibility, we achieve full-azimuthal imaging, detecting directional light sources with precision. These results establish a scalable approach for large-area, conformable MWIR imaging and pave the way for integration with flexible electronics.

Wijaya, Theodorus Jonathan↗
DOE OSTI2022

Streaming readout for next generation electron scattering experiments

Current and future experiments at the high-intensity frontier are expected to produce an enormous amount of data that needs to be collected and stored for offline analysis. Thanks to the continuous progress in computing and networking technology, it is now possible to replace the standard ‘triggered’ data acquisition systems with a new, simplified and outperforming scheme. ‘Streaming readout’ (SRO) DAQ aims to replace the hardware-based trigger with a much more powerful and flexible software-based one, that considers the whole detector information for efficient real-time data tagging and selection. Considering the crucial role of DAQ in an experiment, validation with on-field tests is required to demonstrate SRO performance. In this paper, we report results of the on-beam validation of the Jefferson Lab SRO framework. In this work, we exposed different detectors (PbWO-based electromagnetic calorimeters and a plastic scintillator hodoscope) to the Hall-D electron-positron secondary beam and to the Hall-B production electron beam, with increasingly complex experimental conditions. By comparing the data collected with the SRO system against the traditional DAQ, we demonstrate that the SRO performs as expected. Furthermore, we provide evidence of its superiority in implementing sophisticated AI-supported algorithms for real-time data analysis and reconstruction.

47 OTHER INSTRUMENTATION↗