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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electrolyte design for LiF-rich solid–electrolyte interfaces to enable high-performance microsized alloy anodes for batteries

Lithium batteries with Si, Al or Bi microsized (>10 µm) particle anodes promise a high capacity, ease of production, low cost and low environmental impact, yet they suffer from fast degradation and a low Coulombic efficiency. In this paper, we demonstrate that a rationally designed electrolyte (2.0 M LiPF 6 in 1:1 v/v mixture of tetrahydrofuran and 2-methyltetrahydrofuran) enables 100 cycles of full cells that contain microsized Si, Al and Bi anodes with commercial LiFePO 4 and LiNi 0.8 Co 0.15 Al 0.05 O 2 cathodes. Alloy anodes with areal capacities of more than 2.5 mAh cm -2 achieved >300 cycles with a high initial Coulombic efficiency of >90% and average Coulombic efficiency of >99.9%. These improvements are facilitated by the formation of a high-modulus LiF–organic bilayer interphase, in which LiF possesses a high interfacial energy with the alloy anode to accommodate plastic deformation of the lithiated alloy during cycling. Lastly, this work provides a simple yet practical solution to current battery technology without any binder modification or special fabrication methods.

25 ENERGY STORAGE↗
DOE OSTI2024

Rapid biodegradation of microplastics generated from bio-based thermoplastic polyurethane

The accumulation of microplastics in various ecosystems has now been well documented and recent evidence suggests detrimental effects on various biological processes due to this pollution. Accumulation of microplastics in the natural environment is ultimately due to the chemical nature of widely used petroleum-based plastic polymers, which typically are inaccessible to biological processing. One way to mitigate this crisis is adoption of plastics that biodegrade if released into natural environments. In this work, we generated microplastic particles from a bio-based, biodegradable thermoplastic polyurethane (TPU-FC1) and demonstrated their rapid biodegradation via direct visualization and respirometry. Furthermore, we isolated multiple bacterial strains capable of using TPU-FC1 as a sole carbon source and characterized their depolymerization products. Finally, to visualize biodegradation of TPU materials as real-world products, we generated TPU-coated cotton fabric and an injection molded phone case and documented biodegradation by direct visualization and scanning electron microscopy (SEM), both of which indicated clear structural degradation of these materials and significant biofilm formation.

09 BIOMASS FUELS↗
DOE OSTI2025

Linking structural and rheological memory in disordered soft materials

Linking the macroscopic flow properties and nanoscopic structure is a fundamental challenge to understanding, predicting, and designing disordered soft materials. Under small stresses, these materials are soft solids, while larger loads can lead to yielding and the acquisition of plastic strain, which adds complexity to the task. In this work, we connect the transient structure and rheological memory of a colloidal gel under cyclic shearing across a range of amplitudes via a generalized memory function using rheo-X-ray photon correlation spectroscopy (rheo-XPCS). Our rheo-XPCS data show that the nanometer scale aggregate-level structure recorrelates whenever the change in recoverable strain over some interval is zero. The macroscopic recoverable strain is therefore a measure of the nano-scale structural memory. We further show that yielding in disordered colloidal materials is strongly heterogeneous and that memories of prior deformation can exist even after the material has been subjected to flow.

Kamani, Krutarth M. [Univ. of Illinois at Urbana-C↗
DOE OSTI2023

ExactPack

A new version of the verification tool ExactPack, 1.7.0, includes three new solvers: A Radshocks solver, Riemann solver and an Elastic-Plastic Piston problem solver. The code has been refactored to work with Python 3. All Fortran code has been removed and solvers implemented in Fortran have been re-implemented in Python where necessary. All unit tests have been converted to use the Pytest format and all the GUI, CLI and verification analysis code has been removed.

Thrussell, Jasper↗
DOE OSTI2021

Response of 304L stainless steel and 6061-T651 aluminum alloy at -40 °C

The objective of this work is to extend the thermal-mechanical, elastic-plastic calibrations for 304L stainless steel [1] and and 6061-T651 aluminum alloy [2] to the regime between room temperature and -40 °C. The basis to extend the calibration consisted of new uniaxial tension tests conducted at -40 °C using the same plate material stocks, circular cylindrical specimen geometries and testing apparatus as previously, followed by attempts to fit power-law hardening functions to replicate the response observed in the specimens and then extend the yield, hardening constant, hardening exponent and rate constant functions in the calibrations to cover the new temperature regime.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Parametric Study of Panel PCM–Air Heat Exchanger Designs

Heat exchangers, devices for the transfer of heat between two or more working fluids, are extensively used in cooling applications and heating applications. Heat exchangers in buildings are typically components of space-conditioning systems, as well as of water-heating applications. Heat exchangers are also sometimes used in applications that require storage and release of energy at specific times. Phase change materials (PCMs) enhance these heat-exchange processes, given their ability to melt and solidify at a fixed range of temperatures, absorbing or releasing significant amounts of latent heat. Five different configurations of PCM–air heat exchangers for thermal control in buildings are analyzed in this work. The heat exchangers were fitted with PCM encapsulated in plastic and composite pouches of various shapes, and packaged in stackable panel layers. Three-dimensional computational fluid dynamics (CFD) modeling of coupled incompressible fluid and conjugate heat transfer were performed on the designs. The phase change process was numerically modelled using the apparent heat capacity method. Steady-state CFD simulations provided quantification of pressure drop as a function of air flow velocity. Transient simulation results describe the thermal evolution of PCM in the pouches, helping to determine the best performing configuration with respect to total thermal charging time.

10 SYNTHETIC FUELS↗
NASA NTRS1997

Determination of Residual Stress in Composite Materials Using Ultrasonic Waves

The performance of high temperature composites can be significantly affected by the presence of residual stresses. These stresses arise during cooling processes from fabrication to room temperature due to mismatch of thermal expansion coefficients between matrix and fiber materials. This effect is especially pronounced in metal matrix and intermetallic composites. It can lead to plastic deformations, matrix cracking and fiber/matrix interface debonding. In this work the feasibility of ultrasonic techniques for residual stress assessment in composites is addressed. A novel technique for absolute stress determination in orthotropic materials from angular dependencies of ultrasonic velocities is described. The technique is applicable for determination of both applied and residual stresses and does not require calibration measurements on a reference sample. The important advantage of this method is that stress is determined simultaneously with stress-dependent elastic constants and is thus decoupled from the material texture. It is demonstrated that when the principal plane stress directions coincide with acoustical axes, the angular velocity data in the plane perpendicular to the stress plane may be used to determine both stress components. When the stress is off the acoustical axes, the shear and the difference of the normal stress components may be determined from the angular dependence of group velocities in the plane of stresses. Synthetic sets of experimental data corresponding to materials with different anisotropy and stress levels are used to check the applicability of the technique. The method is also verified experimentally. A high precision ultrasonic wave transmission technique is developed to measure angular dependence of ultrasonic velocities. Examples of stress determination from experimental velocity data are given. A method is presented for determination of velocities of ultrasonic waves propagating through the composite material with residual stresses. It is based on the generalized self-consistent multiple scattering model. Calculation results for longitudinal and shear ultrasonic wave velocities propagating perpendicular to the fibers direction in SCS-6/Ti composite with and without residual stresses are presented. They show that velocity changes due to presence of stresses are of order 1%.

Rokhlin, S. I.↗
DOE OSTI2024

Role of interfaces on the mechanical response of accumulative roll bonded nanometallic laminates investigated via dislocation dynamics simulations

Unraveling the effects of continuous dislocation interactions with interfaces, particularly at the nanometer length scales, is key to a broader understanding of plasticity, to material design and to material certification. To this end, this work proposes a novel discrete dislocation dynamics-based model for dislocation interface interactions tracking the fate of residual dislocation on interfaces. This new approach is used to predict the impact of dislocation/interface reactions on the overall mechanical behavior of accumulative roll bonded nanometallic laminates. The framework considers the dynamic evolution of the interface concurrent with a large network of dislocations, thus, accounting for the local short and long range effects of the dislocations under the external boundary conditions. Specifically, this study focuses on two-phase Fe/Cu nanometallic laminates, and investigates the role of the underlying elastic and plastic contrast of the Fe and the Cu layers on the composite response of the material. Moreover, the role of initial microstructures, resulting from processing is also investigated. Subsequently, the model is used to examine the effect of layer thickness and interface orientation relationship on the residual stresses of the relaxed microstructure. The associated mechanical response of these laminates are compared when loaded under normal direction compression, as well as shear compression. Finally, this work predicts a dominant effect of the layer thickness, as compared to the interface orientation relationship, on the macroscopic response and on the residual stresses of these nanolaminates, while the local dislocation transmission propensity through the interface is significantly influenced by the corresponding orientation relationship.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Characterization of 6 Li-loaded pulse-shape-discriminating plastic scintillators

Lithium-loaded organic plastic scintillators combine sensitivity to γ rays with the ability to detect both fast and slow neutrons, making them valuable for applications in nuclear security and in basic nuclear and particle physics. The goal of this work is to characterize the neutron response of two custom lithium-loaded organic plastic scintillators developed at Lawrence Livermore National Laboratory. Both are ternary polystyrene-based formulations containing 1.5 wt.% 6 Li salts of isobutyric acid, but they differ in their primary and secondary dye compositions: one uses m-terphenyl as the primary fluor and with Exalite 404 as the wavelength shifter, whereas the other uses 2,5-diphenyloxazole (PPO) and 9,10-diphenyl-anthracene, respectively. The temporal response of the scintillators was measured via time-correlated single photon counting for γ-ray and neutron events. The proton light yield was measured using the double time-of-flight technique from 1.3 to 15 MeV at the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory. For the slow neutron response, an AmBe source moderated with polyethylene was used, and the light output from the 6 Li(n,α)t reaction was characterized. Differences in ionization quenching and temporal response were observed between the two materials with the PPO-containing scintillator exhibiting higher ionization quenching. These results provide performance benchmarks that can guide the design and optimization of future lithium-loaded plastic scintillators for use in basic science and applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Polysiloxane Scintillators for Efficient Neutron and Gamma-Ray Pulse Shape Discrimination

Plastic scintillators based on thermoplastics, such as polystyrene and poly(vinyl toluene) (PVT), are capable of neutron and γ radiation detection via pulse shape discrimination (PSD) when overdoped with select fluorescent molecules. This class of plastic scintillator has been extensively studied but is limited to applications suitable for thermoplastics. For applications requiring flexibility, scintillators composed of elastomers, such as polysiloxanes, offer an alternative to PVT scintillators. Polysiloxane scintillators are inherently flexible and have a short processing time on the order of 3 h in air and equivalent or better detection capability at reduced doping concentration (<5 wt %). This work presents polysiloxane-based scintillators, containing only 1–5 wt % of 2,5 diphenyl-oxazole (PPO) or 9,9-dimethyl-2-phenyl-9H-fluorene (PhF) as primary dopants and 9,9-dimethyl-2,7-distyryl-9H-fluorene (SFS) as a wavelength shifter. A 5 wt % PPO polysiloxane sample had improved neutron and gamma ray PSD and comparable light yield than EJ-299-33 tested under the same conditions, i.e., figure of merit (FoM) of 1.33 ± 0.03 at 450 keV ee and light yield of 94% relative to EJ-299-33. The 5 wt % PhF-polysiloxane sample had a higher light yield, 144% of EJ-299-33 but lower FoM under the same conditions (FoM of 1.09 ± 0.03). Furthermore, this work highlights the potential of polysiloxanes as a matrix for PSD capable plastic scintillators.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A crystal plasticity finite element method modeling of Zircaloy with hydride phases based on scanning electron micrographs

This work developed a microstructure-based finite element model to predict the stress state of alloys with second phase inclusions. Quantitative microstructural details extracted from scanning electron microscopy (SEM) images were used to generate heterogeneous microstructures including the morphology and spatial distribution of hydrides. Generation of digital microstructure was achieved through two steps of tessellations using software Neper and Matlab. The process is demonstrated using an example of Zircaloy material with secondary phases of hydrides dispersed within and stress-strain response of Zircaloy containing hydrides was predicted. The constitutive material model for Zircaloy in this study was based on crystal plasticity theory which considers the hexagonal close-packed (HCP) atomic structure of Zircaloy material. The hydrides were modeled as isotropic elasto-plastic material. A parametric study had been conducted to understand the effect of volume fraction, and lamellae thickness of the hydride phase on the mechanical properties of the overall material. Results can help designers to alter the manufacturing process to obtain the enhanced mechanical properties for components used in nuclear applications made by Zircaloy material.

Kulkarni, Shank S.↗
DOE OSTI2022

Antioxidant-induced transformations of a metal-acid hydrocracking catalyst in the deconstruction of polyethylene waste

Plastics are ideal for numerous applications, as driven by the development of complex formulations containing various additives to improve performance and processability. Unfortunately, chemical valorization strategies (e.g., catalytic deconstruction) often can be challenged by the presence of small-molecule additives, and quantification of the impact of these molecular constituents on upcycling processes remains elusive. Here, this dearth of information restricts catalyst design efforts to combine the robustness and performance necessary to improve plastics circularity. In this communication, we describe a systematic study of common plastics additives—phenolic antioxidants, and we quantify the relationship between additive content and deconstruction yields of high-density polyethylene (HDPE) over a platinum on tungstated zirconium (Pt/WO 3 /ZrO 2 ) hydrocracking catalyst. In the simplest case of a base (antioxidant- and slip agent-containing) HDPE resin versus a pure (additive-stripped) HDPE polymer, a two-fold decrease in the yield of gas and liquid products is noted for base HDPE resin. Furthermore, both antioxidant chemistry and concentration strongly impact conversion and individual product selectivities. Using infrared spectroscopy, we determine that antioxidants change the effective ratio of metal to acid sites (i.e., metal-acid balance) through reactions of phenols and/or other functional groups (e.g., acids, esters) with catalyst active sites. Overall, this work demonstrates the impact of one common set of additives on plastics deconstruction, and the analysis herein provides a blueprint for quantitatively assessing the effects of additives on plastics deconstruction processes and for evaluating the development of more robust catalytic strategies or more tolerable additive formulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Origins of high ductility exhibited by an extruded magnesium alloy Mg-1.8Zn-0.2Ca: Experiments and crystal plasticity modeling

Low ductility and strength are major bottlenecks against Mg alloys' wide applications. In this work, we systematically design the composition and fabrication process for a low-alloyed Mg-Zn-Ca alloy, showing that it can be extruded at low temperatures (~ 250 degrees C) and high speeds (~2 mm/s). After the extrusion, this alloy exhibits a substantially weakened basal texture, relatively small grain size, very high tensile elongation (~ 30%), and good strength. The origin of the considerably improved ductility was studied using a combination of three-dimensional atom probe tomography (3D-APT), transmission electron microscopy (TEM), electron backscattered diffraction (EBSD) in conjunction with surface slip trace analysis, in-situ synchrotron X-ray diffraction, and elasto-plastic self-consistent (EPSC) modeling. Co-segregation of Zn and Ca atoms at a grain boundary is observed and associated with texture weakening and grain boundary mediated plasticity, both improving the ductility. While basal slip and prismatic slip are identified as the dominant deformation systems in the alloy, the ratio between their slip resistances is substantially reduced relative to pure Mg and most other Mg alloys, significantly contributing to the improved ductility of the alloy. This Mg-Zn-Ca alloy exhibiting excellent mechanical properties and low fabrication cost is a promising candidate for industrial productions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Depolymerization of polyesters by a binuclear catalyst for plastic recycling

Plastics play an essential role in modern society, however, the relentless growth of their production is threatening both human health and ecosystems. As a result, there are intensive efforts in developing recycling technologies to repurpose waste plastics into the building blocks for valuable materials. Here we show a binuclear complex that can catalyze the degradation of polyethylene terephthalate (PET)-the most widely used polyester globally-and a wide spectrum of other plastics including polylactic acid (PLA), polybutylene adipate terephthalate (PBAT), polycaprolactone (PCL), polyurethane (PU) and Nylon 66. Inspired by hydrolases, the group of enzymes that catalyze bond cleavages with water, the present catalyst design features biomimetic Zn-Zn sites which activate the plastic, stabilize the key intermediate, and enable intramolecular hydrolysis. This synthetic catalyst delivers activities of 36 mg PET d -1 g catal -1 toward PET depolymerization at pH 8 and 40 oC, and of 577 g PET d -1 g catal -1 at pH 13 and 90 oC for scalable PET recycling. We further demonstrate the closed-loop production of a bottle-grade PET. This work presents a practical and viable solution to the sustainable management of plastics waste.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Low-temperature failure mechanism of [001] niobium micropillars under uniaxial tension

The plasticity of body-centered cubic (bcc) metals is dependent of temperature as well as sample dimension at the micrometer scale, but the effects of cryogenic temperature on the plasticity and the related failure process in micron-sized bcc metals have not been studied under uniaxial tension. In this work, we utilized in situ cryogenic micro-tensile tests, transmission electron microscopy, and dislocation dynamic simulations to examine the plasticity and failure processes of [001]-oriented bcc niobium micropillars. Our study reveals that a strong suppression of cross-slip at low temperatures prevents dislocation multiplication and leads to a dislocation starvation state, at which no mobile dislocation exists due to the rapid annihilation of dislocations at free surfaces. New dislocations are then nucleated until stress concentration at a slip step creates a micro-crack, the propagation of which leads to catastrophic failure. As a result, this unique failure process results from the combined effects of sample dimension and temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

(U) Blast Tube Rehabilitation (Final Design Review) [Slides]

Saddle design is being proposed to improve overall response of facility. No plasticity predicted in tube sections buying down risk of a catastrophic failure. Plasticity is predicted in the support for loadings representing 190# C4. The design has been iterated to decrease localized plasticity and buy down risk. It is recommended that no amount of explosive driver be placed in A36 sections. Previous work suggests yielding can develop in the tube section causing rupture. J2 colleagues have reviewed analysis results. Outstanding question of additional plastic strain is developing from subsequent uses.

42 ENGINEERING↗
DOE OSTI2025

Plastic Additive, Sorbent-Coated, Thermally Integrated Contactor for CO 2 Capture (PLASTIC4CO2) (Final Report)

Final report for Plastic Additive, Sorbent-Coated, Thermally Integrated Contactor for CO2 Capture (PLASTIC4CO2) DE-FE-0032132. The goal of the work was to investigate at a technology readiness level of 3 (TRL 3), the proof of concept of an additively printed plastic 2-channel heat exchanger/sorbent contactor system to achieve a 15% lower levelized cost of electricity (LCOE) than a baseline liquid phase amine adsorber system for 90% and 95% capture of CO 2 from both a 7F02 2x1CC and 7HA02 2x1CC natural gas turbines.

03 NATURAL GAS↗
DOE OSTI2020

Combining Reclaimed PET with Bio-Based Monomers Enables Plastics Upcycling

Less than 30% of PET plastic is recycled in the United States. The low reclamation rate may be due to mechanical recycling accounting for the majority of commercial PET recycling. Mechanical recycling yields a lower-quality recycled plastic than the process of chemically recycling back to the monomer phase, which can be energetically and economically expensive. In this work, recently published in Joule, reclaimed PET bottles are chemically recycled and converted into higher-value fiberglass-reinforced plastics (FRPs).This presentation will focus on the supply-chain level energy and greenhouse gas emissions intensities associated with this novel upcycling route. The Materials Flows through Industry supply chain analysis tool, developed at NREL, is used to estimate these impacts. Depending on the extent and speed of adoption, this strategy for plastic upcycling could lead to significant energy usage and emissions reductions over the traditional FRP supply chain. Overall, this approach may provide an economic incentive for plastics recycling and renewable feedstock use through the creation of higher-value FRPs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗