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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
DOE OSTI2024

Validation Exercise of a Coarse Finite Element Model of Laser Welds

The objective of this project is to validate low-fidelity models of 304L to 304L stainless steel partial-penetration laser welds for thin sheets. Low-fidelity means that the weld is represented by coarsely meshed element blocks. Here, the hexahedral element size is approx imately half the weld penetration depth. The material behavior of the block is represented by a J2 plasticity model with a Voce hardening function. The source of the data used in this work is an extensive experimental study conducted by Sharlotte Kramer (1528) and published in 2015. Figure 1 shows a cross-section of the weld of interest. The nominal thickness of the sheets is 0.063 in. while the target penetration depth of the weld is in the range of 0.028 to 0.032 in., extending about half the sheet thickness. Uniaxial tension tests provided data for calibration of base material and weld models. Results of two validation geometries were also provided. The principal validation geometry is shown in Fig. 2. It consists of a plate specimen with in-plane dimensions 6 in × 2.875 in loaded in tension. A circular plug with a 1.5 in. diameter was cut from the center of the plate and then welded in place. The details of the welding schedule are given. An important assumption is that the welds in the calibration and validation specimens have similar geometric and material properties as those in the validation tests. The task was to first calibrate models for the base material and the welds and then simulate the validation tests until the point of weld first failure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

ADRIANO2 Calorimeter performance from 2022 Prototypes

A novel high-granularity dual-readout calorimetric technique was developed as part of the T1604 collaboration research program. The building block of ADRIANO2 Calorimeter consists of a pair of optically isolated, small sized tiles made of scintillating plastic and lead glass. The two components of the dual-readout energy compensation technique. Furthermore,Cˇerenkovlightfromtheleadglassareexploitedtoforhighresolutiontimingmeasurements,whilehigh granularity from scintillating plastic can be used to probe the spatial component of the particle shower. This setup works for excellent energy resolution and particle identification for REDTOP as it is crucial for a calorimeter to detect and identify the decay products of eta/eta-prime mesons. Measurements were collected on several ADRIANO2 prototypes between February to December 2022 to evaluate the detector performance. The key metrics extracted from the analyses are presented in this paper are the efficiencies and light-yi eld for various tile configurations. The measured values will be used as input parameters for improved REDTOP Montecarlo simulation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Polymer-Grafted Cellulose Nanofibrils with Enhanced Interfacial Compatibility for Stronger Poly(lactic acid) Composites

Cellulose nanofibrils (CNFs) are a promising reinforcement for biodegradable composite matrices such as poly(lactic acid) (PLA), but they require commercially scalable drying methods that preserve their fibrillar morphology along with improved interfacial interactions with polymer matrices. In this work, a water-based grafting-through polymerization scheme to modify CNFs improved spray drying behavior and reinforcement capacity in PLA composites. All polymer modifications yielded CNFs with a more fibrillar morphology after spray drying, increasing specific surface area by up to 490% compared to unmodified CNFs, values similar to conventional freeze drying. Polymer-grafted CNFs in PLA composites improved the tensile strength by 16% at 20 wt % loading and stiffness by 22% at a 10 wt % loading with two different graft-polymer chemistries compared to unmodified CNF composites. Surface energy heterogeneity measurements of the reinforcements and PLA matrix were employed to understand the improvements in composite properties. Polymer modifications lowered the total surface energy of the CNFs, and calculated ratios of work of adhesion to work of cohesion suggested improved interfacial compatibility for four of the modified CNFs with PLA. Rheological oscillatory shear studies of the composites correlated solid-like melt behavior, as demonstrated by storage moduli dominance, with higher tensile strength. Thermal analysis of the composites revealed that excessive plasticization by the poly(oligoethylene glycol methyl ether methacrylate)-grafted sample potentially offset mechanical property improvements imparted by the more fibrillar morphology. This work provides an opportunity for large-scale manufacturing of CNF/PLA composites via an entirely aqueous modification scheme and industrially relevant spray drying process.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electrically conductive carbon fiber layers as lightning strike protection for non-conductive epoxy-based CFRP substrate

A large amount of electrically conductive fillers is needed to enhance a Carbon Fiber Reinforced Plastics (CFRP) electrical conductivity enough to withstand lightning strikes of peak currents. However, such large alien constituents hamper the inherent good mechanical properties of CFRP structures. In this work, a solution has been proposed to retain both desired properties in a CFRP laminate. Layer-wise hybrid laminate has been demonstrated as a solution for lightning strike protection of Carbon Fiber Reinforced Plastics (CFRP). Top few layers of a hybrid laminate are prepared using electrically conductive polymer-based resin (CF/C-POLY) to provide effective dissipation of lightning current while epoxy-based CFRP substrate (CF/Epoxy) provides the main structural strength. An insulating adhesive layer is used to bond CF/C-POLY and CF/Epoxy to prepare the laminate. The hybrid laminates were tested for their effectiveness against lightning strikes. Laminates were struck by modified lightning waveform of component A with peak current of -14 kA and -40 kA. The performance of the laminates against lightning strike were evaluated using high speed camera, high-speed and thermal camera. It is found that CF/C-POLY layer successfully defended the main structural component i.e. CF/Epoxy from lightning direct damage.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Gel composite electrolyte – an effective way to utilize ceramic fillers in lithium batteries

Achieving synergy between ion-conducting polymers and ceramics in a composite electrolyte has been proven to be difficult as the complicated ceramic/polymer interface presents challenges to understand and control. In this work, we report a strategy to utilize discrete ceramic fillers to form a gel composite electrolyte with enhanced transport properties for lithium metal batteries. The matrix of the composite membrane is crosslinked poly(ethylene oxide) with bis(trifluoromethane)sulfonimide lithium salt (LiTFSI). The membrane is plasticized with tetraethylene glycol dimethyl ether (TEGDME). The incorporation of doped-lithium aluminum titanium phosphate particles (LICGC™) into the membrane greatly improves the membrane's cycling characteristics against the lithium electrode, exhibiting lower interfacial impedance, lower overpotential and higher rate capability. The underpinnings of the superior performance of the gel composite electrolyte are discussed in depth. LICGC™ can immobilize the TFSI - anions in the polymer matrix and simultaneously promote Li+ transport by increasing the plasticizer to Li + ratio. Further, the transport enhancement is achieved without sacrificing mechanical properties. The composite membrane shows significantly improved handleability and processability. This work sheds light on the design strategy for a safe electrolyte towards stable Li metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Synergistic effect of microstructure and defects on the initiation of fatigue cracks in additively manufactured Inconel 718

Fatigue cracks in additively manufactured (AMed) Inconel 718 (IN-718) in machined surface condition often initiate from persistent slip bands (PSBs) unlike other popular AM alloys such as 17-4 PH stainless steel or Ti-6Al-4V, where fatigue crack initiation is exclusively from volumetric defects; therefore, a competition between PSB- vs. defect- mediated crack initiation clearly exists. To shed light on the factors governing the competition, this study investigates the characteristics of cyclic strain localization, PSB formation, and crack initiation via crystal plasticity (CP) modeling of cyclic loading on polycrystalline aggregates which are then validated by experiments. In this work, a physics-based, free slip distance (FSD) dependent slip strength evolution law is proposed, which is shown to enable the CP model to simulate the heterogeneous strain distribution in IN-718. Implementing a crack initiation criterion based on strain contrast, the locations and lives for crack initiation can also be calculated. It is shown that both FSD and resolve shear stress influence the strain localization and crack initiation behaviors. The distribution of a localization parameter calculated based on the multiplication of FSD and Schmid factor within a grain is found to correlate well with the locations of PSBs. The maximum values of the localization parameters within a microstructure are shown to correlate well with the experimentally obtained crack initiation lives. The presence of volumetric defects in IN-718 generally do not impact strain localization behavior unless their size is large compared to the grain size.

42 ENGINEERING↗
DOE OSTI2020

Plastic deformation of single crystals of the equiatomic Cr-Mn-Fe-Co-Ni high-entropy alloy in tension and compression from 10 K to 1273 K

In this report the plastic deformation behavior of single crystals of the quinary, equiatomic Cr-Mn-Fe-Co-Ni high-entropy alloy (HEA) with the face-centered cubic structure has been investigated in tension and compression as a function of crystal orientation and temperature from 10 K to 1373 K. The critical resolved shear stress (CRSS) for {111}<110> slip at room temperature is 42-45 MPa. It does not depend much on crystal orientation (i.e., the Schmid law holds true) and the sense (tension vs. compression) of the applied load. The CRSS for {111}<110> slip increases with the decrease in temperature, without showing any significant inertia effects at cryogenic temperatures below 77 K. Extrapolation from the measured yield stresses down to 10 K yields a CRSS value at 0 K of 168 MPa. At cryogenic temperatures, the measured strain-rate sensitivity of flow stress is consistent with a very small activation volume. The concept of stress equivalence holds true both for the temperature dependence of CRSS and the stress dependence of activation volume, indicating that solid-solution hardening is the major strengthening mechanism. Deformation twinning occurs at 77 K but not at room temperature, resulting in higher tensile elongation to failure at 77 K than at room temperature. Deformation twinning at 77 K occurs at a shear stress of 378 MPa on conjugate ($\bar1\bar11$) planes in the form of Lüders deformation after large plastic strain (about 85%) achieved by the stage I (easy glide) and stage II (linear work-hardening) deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

SO(3)-invariance of informed-graph-based deep neural network for anisotropic elastoplastic materials

This work examines the frame-invariance (and the lack thereof) exhibited in simulated anisotropic elasto-plastic responses generated from supervised machine learning of classical multi-layer and informed-graph-based neural networks, and proposes different remedies to fix this drawback. The inherent hierarchical relations among physical quantities and state variables in an elasto-plasticity model are first represented as informed, directed graphs, where three variations of the graph are tested. While feed-forward neural networks are used to train path-independent constitutive relations (e.g., elasticity), recurrent neural networks are used to replicate responses that depends on the deformation history, i.e. or path dependent. In dealing with the objectivity deficiency, we use the spectral form to represent tensors and, subsequently, three metrics, the Euclidean distance between the Euler Angles, the distance from the identity matrix, and geodesic on the unit sphere in Lie algebra, can be employed to constitute objective functions for the supervised machine learning. In this, the aim is to minimize the measured distance between the true and the predicted 3D rotation entities. Following this, we conduct numerical experiments on how these metrics, which are theoretically equivalent, may lead to differences in the efficiency of the supervised machine learning as well as the accuracy and robustness of the resultant models. Neural network models trained with tensors represented in component form for a given Cartesian coordinate system are used as a benchmark. Our numerical tests show that, even given the same amount of information and data, the quality of the anisotropic elasto-plasticity model is highly sensitive to the way tensors are represented and measured. The results reveal that using a loss function based on geodesic on the unit sphere in Lie algebra together with an informed, directed graph yield significantly more accurate rotation prediction than the other tested approaches.

42 ENGINEERING↗
DOE OSTI2022

Nitrile-Containing Renewable Polymers Based on Lignin, (CRADA) No. NFE 1807437 (CRADA Final Report)

Lignin remains one of the world’s largest sources of renewable carbon, with significant potential to positively impact our carbon footprint by replacing fossil-fuel derived materials, including engineering thermoplastics and their composites. Efforts to incorporate significant quantity of lignin into engineering thermoplastics as anything other than an inert filler have to date been largely unsuccessful, however due to limitations imposed by the degradation temperature of the lignin (220 °C) and poor compatibility between the lignin and non-polar or slightly polar polymers. Recent work at Oak Ridge National Laboratory has however shown under the right conditions excellent compatibility between lignin and nitrile containing rubber compounds such as nitrile-butadiene rubber (NBR). The present work extends these findings to the incorporation of lignin into acrylonitrile-butadiene-styrene (ABS) engineering plastics. While simple binary mixing of lignin into commercial ABS resins leads to poor interfacial adhesion and resultant low toughness and ductility, appropriate matching of the lignin and ABS components, and as appropriate compatibilizing agents, leads to polymer blends incorporating 20-35% by weight lignin with a useful range of mechanical properties for many current ABS applications. By modifying the composition, the balance of properties can be readily tailored to meet the demands of specific end-user applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mesoscale simulations of pressure-shear loading of granular tungsten carbide

Numerical simulations of pressure-shear loading of a granular material are performed using the shock physics code CTH. A simple mesoscale model for the granular material is used that consists of a randomly packed arrangement of solid circular or spherical grains of uniform size separated by vacuum. The grain material is described by a simple shock equation of state, elastic perfectly plastic strength model, and fracture model with baseline parameters for WC taken from previous mesoscale modeling work. Simulations using the baseline material parameters are performed at the same initial conditions of pressure-shear experiments on dry WC powders. Except for some localized flow regions appearing in simulations with an approximate treatment of sliding interfaces among grains, the samples respond elastically during shear, which is in contrast to experimental observations. By extending the simulations to higher shear wave amplitudes, macroscopic shear failure of the simulated samples is observed with the shear strength increasing with increasing stress confinement. The shear strength is also found to be strongly dependent on the grain interface treatment and on the fracture stress of the grains, though the variation in shear strength due to fracture stress decreases with increasing stress confinement. At partial compactions, the transverse velocity histories show strain-hardening behavior followed by formation of a shear interface that extends through the transverse dimensions of the sample. Near full compaction, no strain hardening is observed and, instead, the sample transitions sharply from an elastic response to formation of an internal shear interface. Agreement with experiment is shown to worsen with increasing confinement stress with simulations overpredicting the shear strengths measured in experiment. The source of the disagreement can be ultimately attributed to the Eulerian nature of the simulations, which do not treat contact and fracture realistically.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Controlling the Plastic Anisotropy of Magnesium Alloy by Tailoring the Grain Size and Yttrium Content

Hexagonal close-packed (HCP) magnesium alloys are widely used in automotive and aerospace industries due to their low density and high specific-strength. Their applicability is mainly restricted due to poor formability and pronounced plastic anisotropy. The formability is usually improved by altering the chemistry (adding rare-earth elements like Y) or modulating the microstructure (e.g., grain refinement). However, grain refinement alone cannot yield the desired ductility, and the scarcity of rare-earth elements also limits the extent to which the alloying strategy can be used. To overcome these issues, in this work, it is proposed that the formability of Mg alloys can be improved by combining the grain refinement and alloying approaches. To quantitively explore this possibility, a crystal-plasticity-based constitutive model, which is sensitive to both alloying concentration and grain sizes, is developed. To demonstrate, the model is applied to study the combined effect of Y content and grain size on the mechanical responses of Mg alloy. The calculations are used to build maps of plastic anisotropy measures, such as tension–compression asymmetry ratio and Lankford coefficients, for a wide range of Y content and grain sizes. From these maps, the grain size that would yield the desired performance of Mg alloy for a fixed Y content can be identified. This work provides an accelerated pathway to optimize both the microstructure and chemistry simultaneously to achieve formability and to reduce the dependence on alloying.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Slip-free multiplication and complexity of dislocation networks in FCC metals

Abstract During plastic deformation of crystalline solids, intricate networks of dislocation lines form and evolve. To capture dislocation density evolution, prominent theories of crystal plasticity assume that 1) multiplication is driven by slip in active slip systems and 2) pair-wise slip system interactions dominate network evolution. In this work, we analyze a massive database of over 100 discrete dislocation dynamics simulations (with cross-slip suppressed), and our findings bring both of these assumptions into question. We demonstrate that dislocation multiplication is commonly observed on slip systems with no applied stress and no plastic strain rate, a phenomenon we refer to as slip-free multiplication. We show that while the formation of glissile junctions provides one mechanism for slip-free multiplication, additional mechanisms which account for the influence of coplanar interactions are needed to fully explain the observations. Unlike glissile junction formation which results from a binary reaction between a pair of slip systems, these new multiplication mechanisms require higher order reactions that lead to complex network configurations. While these complex configurations have not been given much attention previously, they account for about 50% of the line intersections in our database.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Investigation of pressure-controlled injection molding on the mechanical properties and embodied energy of recycled high-density polyethylene

Manufacturing with secondary feedstock has been identified as an effective strategy to improve plastic circularity. However, product quality inconsistencies arise due to variations in molecular weight, rheology, and mechanical properties. This work evaluates the processing of recycled high-density polyethylene using pressure-controlled injection molding with a focus on processing behavior and energy consumption. Further, the effects of injection velocity, packing pressure, and transfer position are benchmarked against a conventional velocity-controlled process. The experimental results show that the novel process control strategy significantly affects the mechanical properties, in-mold rheology, and energy consumption. Parts fabricated using pressure-controlled injection molding showed higher tensile properties due to increased macromolecular orientation. Additionally, reduced energy was used due to lower melt pressures required to completely replicate the cavity geometry. The results demonstrate the potential of the technology to support increased utilization of secondary feedstock and reduced carbon footprint.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Synthesis and Analysis of Performance-Advantaged Bioproducts

Performance-advantaged bioproducts (PABPs) are "novel products where the bio-based product does not resemble an existing petroleum-derived molecule but offers a performance advantage over existing products" (Fitzgerald, Bailey 2018). PABPs are an exciting area with near-term potential to accelerate the bioeconomy. We focus on synthesis, characterization, and economic and sustainability analyses for PABPs, aiming to leverage the inherent chemical functionality of molecules from carbohydrates and lignin via chemical and biological transformations. We collaborate with other BETO projects to source new molecules. Our work is integrated with the Inverse Design project, which provides computational predictions for PABPs and first principles-based results to explain observed properties. Primary outcomes include 1) a Nature Reviews Materials paper that establishes PABP design principles, 2) PA nylons from beta-ketoadipic acid, 3) new recyclable thermosets from bio-aromatic amines, 4) new PA plasticizers that are less toxic, and 5) the experimental validation of a machine learning tool, PolyML, from the Inverse Design project. Going forward, we are working towards an integrated framework to dramatically narrow PABP design space and a materials flow analysis of commodity chemicals as a benchmark for PABPs. Our main challenges are in the sourcing of new molecules that are not commercially available and the need for comprehensive characterizations and scale-up for technology transfer.

BIOMASS FUELS↗
DOE OSTI2021

Biomaterial–Based Solid–Electrolyte Organic Electrochemical Transistors for Electronic and Neuromorphic Applications

In this work a systematic study of biomaterial–based solid–state organic electrochemical transistors (OECTs) is presented in which biogels consisting of gelatin and glycerol, two food–grade materials, are chosen as the model solid electrolyte. Such gels are fundamentally attractive for bioelectronics and wearable applications due to their superior and tunable electrical and mechanical properties, which allow one to fabricate solid–state organic transistors with high ON/OFF ratio and transconductance, possible millisecond–switching speed, and 6–month stability in ambient air. Next, the authors show a good control of the state–retention property of biogel OECTs, demonstrated herein by employing them as artificial synapses with various synaptic functions, such as frequency–based short–term plasticity. This study herein paves the way for the development of biomaterial–based electronics by providing guiding principles for future works that employ biomaterials in OECTs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Development of coherent-precipitate-hardened high-entropy alloys with hierarchical NiAl/Ni 2 TiAl precipitates in CrMnFeCoNiAl x Ti y alloys

Coherent precipitates hardening is currently emerging strengthening mechanism of the various high entropy alloys (HEAs). Recently, CrMnFeCoNiAl x HEAs have been studied to show a phase transition from face-centered-cubic (FCC) to body-centered-cubic (BCC) and formation of coherent precipitates (B2-NiAl) within the BCC matrix. The coherent precipitates in the CrMnFeCoNiAl x alloys could contribute to increase the strength but lead to considerable reduction of the ductility. The present work systematically investigated a series of CrMnFeCoNiAl 0.5 Ti x alloys to further improve the strength and plasticity, as compared to the previously reported CrMnFeCoNiAl x HEAs. As a result, an increase of Ti addition leads to the phase transition from FCC to BCC and formation of lamellar structure and hierarchical precipitates reinforced by B2-NiAl and L2 1 -Ni 2 TiAl phases. Excellent mechanical properties were achieved from CrMnFeCoNiAl 0.5 Ti 0.1 and CrMnFeCoNiAl 0.5 Ti 0.2 alloys. Herein, the mechanical properties of the CrMnFeCoNiAl 0.5 Ti x alloys were discussed via theoretical strengthening mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Bifunctional nanoprecipitates strengthen and ductilize a medium-entropy alloy

Single-phase high- and medium-entropy alloys with face-centred cubic (fcc) structure can exhibit high tensile ductility and excellent toughness, but their room-temperature strengths are low. Dislocation obstacles such as grain boundaries, twin boundaries, solute atoms and precipitates can increase strength. However, with few exceptions, such obstacles tend to decrease ductility. Interestingly, precipitates can also hinder phase transformations. Here, using a model, precipitate-strengthened, Fe–Ni–Al–Ti medium-entropy alloy, we demonstrate a strategy that combines these dual functions in a single alloy. The nanoprecipitates in our alloy, in addition to providing conventional strengthening of the matrix, also modulate its transformation from fcc-austenite to body-centred cubic (bcc) martensite, constraining it to remain as metastable fcc after quenching through the transformation temperature. During subsequent tensile testing, the matrix progressively transforms to bcc-martensite, enabling substantial increases in strength, work hardening and ductility. This use of nanoprecipitates exploits synergies between precipitation strengthening and transformation-induced plasticity, resulting in simultaneous enhancement of tensile strength and uniform elongation. Further, our findings demonstrate how synergistic deformation mechanisms can be deliberately activated, exactly when needed, by altering precipitate characteristics (such as size, spacing, and so on), along with the chemical driving force for phase transformation, to optimize strength and ductility.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Polyolefin plastic waste hydroconversion to fuels, lubricants, and waxes: a comparative study

Hydroconversion technologies have surged to the forefront of deconstructing plastic waste. Recent studies have been performed over several catalysts with varying conditions and plastics that make comparisons difficult. We compile and compare data from the literature by introducing various metrics and perform a simple energy analysis. We draw mechanistic similarities to and differences from the past literature on small alkane hydroconversion and leverage the former to propose standard approaches to tune product selectivity. We exemplify the plastics materials gap and the challenges it creates. Lastly, we discuss the current limitations and suggest future work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗