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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A stochastic solver based on the residence time algorithm for crystal plasticity models

Abstract The deformation of crystalline materials by dislocation motion takes place in discrete amounts determined by the Burgers vector. Dislocations may move individually or in bundles, potentially giving rise to intermittent slip. This confers plastic deformation with a certain degree of variability that can be interpreted as being caused by stochastic fluctuations in dislocation behavior. However, crystal plasticity (CP) models are almost always formulated in a continuum sense, assuming that fluctuations average out over large material volumes and/or cancel out due to multi-slip contributions. Nevertheless, plastic fluctuations are known to be important in confined volumes at or below the micron scale, at high temperatures, and under low strain rate/stress deformation conditions. Here, we develop a stochastic solver for CP models based on the residence-time algorithm that naturally captures plastic fluctuations by sampling among the set of active slip systems in the crystal. The method solves the evolution equations of explicit CP formulations, which are recast as stochastic ordinary differential equations and integrated discretely in time. The stochastic CP model is numerically stable by design and naturally breaks the symmetry of plastic slip by sampling among the active plastic shear rates with the correct probability. This can lead to phenomena such as intermittent slip or plastic localization without adding external symmetry-breaking operations to the model. The method is applied to body-centered cubic tungsten single crystals under a variety of temperatures, loading orientations, and imposed strain rates.

42 ENGINEERING↗
DOE OSTI2022

Bio‐based glycerol plasticizers for flexible poly(vinyl chloride) blends

Abstract A series of glycerol‐based compounds were investigated for their application as plasticizers for flexible poly(vinyl chloride) (PVC) blends. The effect of plasticizer chemical structure on the performance, migration behavior, and blend morphology were evaluated and compared to blends produced using the commercial plasticizer dioctyl terephthalate (DOTP). Blends containing 40 phr (parts per hundred rubber) of glycerol‐based plasticizer showed a considerable reduction (between 54 to 86°C) in glass transition temperature ( T g ) relative to neat PVC ( T g ~ 80°C). Tensile testing of samples prepared with the glycerol analogs demonstrated higher ductility (elongation at break values of up to 97%) than DOTP (elongation at break value of 75%) at identical plasticizer loadings. The surface morphologies showed excellent incorporation of the glycerol plasticizers functionalized with alkyl chains longer than four carbons in length into the PVC matrix, whereas droplet formation was observed in blends with shorter chain glycerol derivatives. Leaching behavior of the plasticized samples were evaluated into different media and showed that plasticizers comprised of branched, or longer alkyl chains produced 2‐ to 4‐fold lower migration rates compared to those with shorter alkyl chains into polar solutions.

Halloran, Matthew W.↗
DOE OSTI2021

Leaf Trait Plasticity Alters Competitive Ability and Functioning of Simulated Tropical Trees in Response to Elevated Carbon Dioxide

The response of tropical ecosystems to elevated carbon dioxide (CO 2 ) remains a critical uncertainty in projections of future climate. Here, we investigate how leaf trait plasticity in response to elevated CO 2 alters projections of tropical forest competitive dynamics and functioning. We use vegetation demographic model simulations to quantify how plasticity in leaf mass per area and leaf carbon to nitrogen ratio alter the responses of carbon uptake, evapotranspiration, and competitive ability to a doubling of CO 2 in a tropical forest. Observationally constrained leaf trait plasticity in response to CO 2 fertilization reduces the degree to which tropical tree carbon uptake is affected by a doubling of CO 2 (up to -14.7% as compared to a case with no plasticity; 95% confidence interval [CI95%] -14.4 to -15.0). It also diminishes evapotranspiration (up to -7.0%, CI95% -6.4 to -7.7), and lowers competitive ability in comparison to a tree with no plasticity. Consideration of leaf trait plasticity to elevated CO 2 lowers tropical ecosystem carbon uptake and evapotranspirative cooling in the absence of changes in plant-type abundance. However, “plastic” responses to high CO 2 which maintain higher levels of plant productivity, many of which fall outside of the observed range of response, are potentially more competitively advantageous, thus, including changes in plant type abundance may mitigate these decreases in ecosystem functioning. Models that explicitly represent competition between plants with alternative leaf trait plasticity in response to elevated CO 2 are needed to capture these influences on tropical forest functioning and large-scale climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Early Lab scientists had questions, Plastic Man gave them answers

He was a willing subject in countless scientific experiments, a superstar of health physics, as well as a favorite photo prop -- and not just around Halloween time. He was Plastic Man. Beginning in the mid-1950s, the Lab (then called Los Alamos Scientific Laboratory) often relied on several life-sized synthetic test subjects to avoid experimenting on people. In the early days of the Laboratory, not much was known about how different radioisotopes interacted with the human body and how much it absorbed from different radiation sources. Answering queries like these is where Plastic Man came in. For example, during the 1950s and 1960s, the Lab was tasked with developing nuclear rockets for space exploration under the Rover Program. One of the concerns was how astronauts might be affected when exposed to radiation from these rocket engines. So, the Lab’s health group set up an experiment in which Plastic Man was placed in close proximity to an experimental Rover nuclear rocket engine. Running experiments like this using Plastic Man kept humans safer. How life-like was he? There were actually two variations of Plastic Man. Both had hard plastic exteriors, but one of the models encased a real human skeleton. They also had movable joints and simulated organs, such as a liver, a spleen, kidneys, lungs and a thyroid. Although Plastic Man in its entirety was used in experiments, much of the data collected were from research conducted inside on these replicated organs. In time, technology advanced and Plastic Man was able to retire from the Lab. He found a new home in 1964 as a display at the Laboratory’s science museum, and is sometimes displayed today in the Bradbury Science Museum in downtown Los Alamos.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2023

Enabling Entrained-Flow Gasification of Blends of Coal, Biomass and Plastics (Final Report)

This project demonstrated the technical feasibility of gasifying blends of coal, biomass and mixed waste plastics in a high pressure entrained-flow gasifier for production of hydrogen. This was achieved by creating slurries of coal, biomass pyrolysis liquids and liquefied plastic oil. Specific objectives of the project included (1) determining compositions of coal-biomass-plastic mixtures that produce a stable slurry suitable for pumping to high pressure, (2) designing and testing a novel burner to effectively atomize the mixed feedstock slurry in a pressurized gasifier, and (3) acquiring first-of-a-kind performance data for pressurized, oxygen-blown entrained-flow gasification of slurried blends of coal, biomass and plastic. A key focus of the project was preparation of mixtures of coal, biomass and plastic. To facilitate easy pumping to high pressure, slurries were created using (i) bioliquid resulting from a well-established rapid thermal treatment pyrolysis process, (ii) oil produced from waste plastic via an available thermal conversion process, and (iii) ground coal. Lab-scale tests were conducted to evaluate viscosity and stability/propensity for the mixtures to separate over time. Larger batches of the most promising slurry compositions were prepared and subjected to pumping studies. It was found that mixtures containing less than about 40% coal and less than about 30% plastic oil were stable and of low enough viscosity to facilitate pumping to high pressure. A high-performance hot oxygen burner (HOB) was designed and fabricated for use in an existing 1 ton/day pressurized entrained-flow gasifier. Ex-situ testing demonstrated that the HOB provides excellent atomization of the slurries and creates a very uniform and robust flame. Performance of the HOB in the gasifier was exceptional and resulted in better conversion to syngas than any previous generation of burner. Fabricating the HOB for this project was challenging due to the relatively small scale of the gasifier. Performance in larger-scale systems is expected to be even better. Gasification of mixtures of coal, bioliquid and plastic oil proved to be relatively easy. The gasifier was able to be started up, pressurized and transitioned to the blended slurry feedstock with no technical difficulty. Syngas rich in CO and H 2 , with relatively low concentrations of CO 2 , was produced. During startup and at low gasification temperatures, soot formation was observed, as is typical for gasification of petroleum-based feedstocks. No slag buildup was observed under the conditions tested. The project was successful in demonstrating the technical feasibility of the concept. Future development should broaden the range of feedstocks under consideration, more deeply explore performance of the gasifier, and evaluate scale-up and implementation strategies.

08 HYDROGEN↗
DOE OSTI2024

Performance Testing of a Moving-Bed Gasifier Using Coal, Biomass, and Waste Plastic Blends with Washed and Unwashed Legacy Coals and Other Waste Fuels to Generate White Hydrogen

The objective of this effort, primarily funded by the United States Department of Energy (DOE), and led by the Electric Power Research Institute, Inc. (EPRI), with support by Hamilton Maurer International (HMI) and Sotacarbo S.p.A. (Sotacarbo), has been to qualify coal, biomass, and plastic waste blends based on performance testing of selected fuel pellet compositions in a pilot-scale updraft moving-bed (UDMB) gasifier. The testing provided relevant data to advance the commercial-scale design of the moving-bed gasifier to be able to successfully use these feedstocks to produce hydrogen. In particular, the effects of waste plastics on feedstock development (i.e., blending and pelletizing) and the resulting products (i.e., syngas compositions, organic condensate production, and ash characteristics) are the focus. The gasifier used for testing is HMI’s moving-bed gasifier, which has been proven capable of gasifying nearly all coal ranks. It has also shown the ability in prior testing work to gasify wood chips (biomass). However, mixtures of these fuels with plastic wastes have not been prepared and gasified together. The three feedstocks were densified and pelletized by California Pellet Mill (CPM) to meet the feedstock size required by Sotacarbo’s 30mm ID UDMB gasifier, under contract to HMI. The technical tasks and results from this two-year research project included: (1) Feed Procurement and Preparation: Nine different tri-fuel pellets were prepared from varying compositions of fresh mined PRB coal, corn stover biomass, and car fluff waste plastics. Tri-fuel pellets were produced by CPM and shipped to Sotacarbo’s test facility in Carbonia, Sardinia, Italy. (2) Test Plan Development: A test plan was created to define the test runs to be performed. The test plan detailed the different UDMB gasification tests to be performed in Sotacarbo’s 12-inch ID pilot scale gasifier, the process monitoring instrumentation used, and the extractive samples recovered for analysis of the total gasification process mass and energy balance. (3) Gasifier Testing: Nine different gasification runs were performed in the pilot-scale gasifier at Sotacarbo using nine different fuel feedstock compositions generated from varying mixtures of PRB coal, biomass, and plastic wastes. The testing generated performance data on gasification reaction efficiency and performance, yielding relevant data for models used to scale up the gasifier design. This task also included work to refurbish and reassemble the pilot gasifier at Sotacarbo and perform a baseline 100% PRB coal run. (4) Data Analysis and Reporting: Review of the data, determination of figures of merit, and interpretation of the results are reported in the project’s final report, published in March 2024. The results show that all tri-fuel pellets gasified well and maintained structural integrity throughout the gasification process. The syngas generated can be shifted to hydrogen by using commercial syngas shifting technologies. (5) High Fidelity computational fluid dynamics (CFD) Simulation: The National Energy Technology Laboratory (NETL) team performed CFD simulations of the UDMB gasifier for two of the tri-fuel pellets gasified in Sotacarbo’s pilot scale gasifier. The kinetic mechanisms for the pyrolysis of each constituent, PRB coal, corn stover biomass, and waste plastics are based on thermogravimetric analysis performed by Sotacarbo. The gasification model was validated by comparing the predicted syngas composition at the exit of the gasifier with the measured syngas composition. In addition, the reactor’s measured internal temperature profile agreed well with the predicted internal reactor temperature profile. These results validate that the model can be used to predict the performance of the updraft moving bed gasifier for different feedstocks and operating conditions. This paper summarizes the results of the completed work in which the pelletizing procedure was validated to ensure the viability of the tri-fuel pellets for the gasification runs performed at Sotacarbo’s 30 mm UDMB gasifier. The gasification performance data from this series of nine runs will enable modeling of a full-scale HMI industrial scale gasifier supporting both combined heat and power, and Hydrogen production from coal (both fresh mined and legacy) combined with various biomass and waste plastics. Additionally, plans and progress on a follow-up project, being executed by the same project team, will be presented. In this project, a total of twenty (20) different feedstocks are being prepared from varying compositions of biomass (both woody biomass and corn stover) with a mixture of legacy coal waste, plastic waste, and refuse-derived fuel (RDF). The testing will provide information on gasification reaction efficiency/performance, yielding relevant data for models used to scale up the gasifier design to 50 megawatt electric (MWe) (equivalent hydrogen production). Tests will also be performed on a bench-scale fluidized-bed gasifier for comparison purposes. The results of this testing will be used to specify the range of feedstock blends that can be successfully gasified as well as quantify gasifier outputs based on specific blends.

08 HYDROGEN↗
DOE OSTI2024

Microstructure and Chemical Composition of Al2O3-, Cr2O3- and MgO-rich Refractories Exposed to Plastic Ashes

Plastics are widely integrated with today’s lifestyle due to their low cost, durability, lightweight, water resistance, and flexibility. However, tremendous plastic waste cause severe threats to the environment. Thus, sustainable recycling of plastic waste is critical, where plastic waste gasification technology with carbon management becomes one of the most effective recycling methods. We simulate the gasification process by exposing the Al2O3-, Cr2O3- and MgO-rich refractories to synthetic plastic ashes at 1500 ℃ for 50 h. A comprehensive study on the microstructure and chemical composition change before/after exposure is conducted using scanning electron microscopy. Meanwhile, the differences among these three refractories after exposure are revealed for quantifying the performance in plastic ashes. Discussion of the results will establish an understanding of the influence of plastic ashes on the microstructure, composition, and phase of different types of refractories, providing insights into designing new refractory materials for future recycling of plastic waste.

Fang, Xiaotian↗
DOE OSTI2020

Performance of High Stopping Power Bismuth-Loaded Plastic Scintillators for Radiation Portal Monitors

Plastic scintillators are widely used in radiation portal monitors because of their low cost and availability in large sizes. However, due to their low density and low effective atomic number (Z), they offer low intrinsic efficiency and little spectroscopic information. The addition of high-Z constituents to these plastics can greatly increase both their total stopping power and the amount of photoelectric absorption, leading to full-energy deposition and thus useful gamma spectra. Herein, we present the performance of the latest formulation of Bi-loaded plastic scintillators showing their useful spectroscopic information up to relatively high energy (~1 MeV) due to their high stopping power compared to the current commercially available plastics. These Bi-loaded plastics use 20 weight percent (wt%) Bi-pivalate (8 wt% elemental Bi) dissolved in polyvinyltoluene (PVT) matrix and conventional fast fluors (~10 ns decay time). These Bi-loaded plastics achieve up to approximately 6000 photons/MeV and have been produced in sizes up to 17 in 3 . The performance of these Bi-loaded plastics is also demonstrated in the existing portal monitor hardware (Rapiscan Model TSA Trainer 770) showing the possibility to provide improved sensitivity as a drop-in replacement with continued scale-up.

42 ENGINEERING↗
DOE OSTI2022

Innovations Toward the Valorization of Plastics Waste

Plastics are an extremely important class of materials that are prevalent in all facets of society; however, their widespread use over time, combined with limited end-of-life strategies, has led to increasing levels of waste accumulation. Although currently considered a burden, plastics waste is potentially an untapped feedstock for numerous chemical and manufacturing processes. In this study, we discuss the state of the art of approaches for valorization of plastics waste from a materials research perspective, including previous efforts to utilize plastics waste and recent innovations that have opportunities to add significant value. Although additional progress is necessary, we present several diverse capabilities and strategies for valorization that, when brought together, address end-of-life challenges for plastics at every stage of design and product consumption. In short, a materials research–based framework offers a unique perspective to address the urgent issues posed by plastics, unlocking the potential of polymers and plastics waste.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Comparing Parallel Plastic‐to‐X Pathways and Their Role in a Circular Economy for PET Bottles

Abstract The United States generates the most plastic waste of any country and is a top contributor to global plastic pollution. Multiple end‐of‐life strategies must be implemented to minimize environmental impacts and retain valuable plastic material, but it is challenging to compare options that generate products with different lifetimes and utilities. Herein, they present a material flow model equipped with consequential life cycle assessment, cost analysis, and a plastic circularity indicator that considers product quality and lifetime. The model is used to estimate the greenhouse gas (GHG) emissions, circularity, and cost of polyethylene terephthalate (PET) bottle mechanical downcycling to lower‐quality resin, closed‐loop glycolysis to food‐grade PET, upcycling to glass fiber‐reinforced plastic, and conversion to non‐plastic products (electricity, oil) on a United States economy‐wide basis for the year 2020. A brute force algorithm suggests that a combination of 68% glycolysis, 11% mechanical recycling, 6% upcycling, 9% landfilling, and 5% incineration can minimize the cost and GHG emissions and maximize the circularity of the current PET economy. However, uncertainty around transportation distances, materials recovery facility efficiencies, and recycling yields can result in different “optimal” pathway mixes. This flexible framework enables informed decision‐making to move toward a cost‐ and environment‐conscious circular economy for plastic.

09 BIOMASS FUELS↗
DOE OSTI2026

Biocatalyst discovery and design for plastics deconstruction: A multi‐scale perspective

Plastic waste accumulation poses significant environmental challenges due to a lack of economical solutions for the molecular deconstruction of diverse synthetic polymers. Biological‐based degradation offers promise but is hindered by the crystallinity, hydrophobicity, and additive complexity of plastics, which restrict biocatalyst access and activity. To address these problems, we propose a multi‐scale framework that combines detailed materials characterization, optimization of plastic‐biomolecular interfacial interactions, and enhancement of biocatalytic kinetics to develop effective plastic‐deconstructing enzymes. This approach leverages principles from reaction kinetics, transport and interfacial phenomena, and enzyme engineering to systematically address barriers across diverse plastic types. Our framework aims to accelerate the discovery and optimization of biocatalysts capable of scalable, selective, and efficient deconstruction of plastic waste. These advances hold potential to enable sustainable biological recycling and upcycling pathways, contributing to global efforts in mitigating plastic pollution and promoting circular material economies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A fast computational framework for the design of solvent-based plastic recycling processes

Multicomponent plastics cannot be processed using mechanical recycling technologies, hindering efforts to deal with plastic waste. Multicomponent plastics include multilayer plastic films, which are widely used for food and healthcare packaging. Multilayer films combine several layers (potentially dozens) of different polymers to protect products from external factors (e.g., oxygen, water, temperature, shock, and light). Solvent-based separation processes have emerged as a promising alternative to recycle these complex materials. For instance, the Solvent-Targeted Recovery and Precipitation (STRAP TM ) process uses sequential solvent washes to selectively dissolve and separate constituent polymers from multicomponent plastic waste, including films. STRAP TM process design (separation sequence, type of solvents, and operating conditions) changes significantly depending on the design of the multilayer plastic film (e.g., number, types, and proportions of polymers). The ability to quickly quantify the economic and environmental benefits of diverse STRAP TM process designs is essential to accelerate the development of sustainable recycling processes and more recyclable multilayer film products. In this work, we present a fast computational framework that integrates molecular-scale models, process modeling, and techno-economic and life cycle analysis to quickly evaluate STRAP TM designs. The computational framework is general and can be used to study the processing of complex multilayer plastic waste streams that contain many layers. Furthermore, we highlight the different uses of the framework via targeted case studies.

Computational framework↗
DOE OSTI2024

A macro-micro approach for identifying crystal plasticity parameters for necking and failure in nickel-based alloy haynes 282

Here, this work develops a two-scales macro-micro approach to address the challenge in calibrating crystal plasticity microstructural models when samples undergo necking prior to fracture. The crystal plasticity models are crucial for predicting the materials’ plastic deformation and failure at the microstructure level, identifying the materials’ intrinsic properties as well as investigating the microstructure-properties relationships. However, after necking occurs, the experimentally measured stress-strain curves fail to reflect the materials ‘true’ stress-strain behavior and cannot be directly fitted into crystal plasticity models. The proposed macro-micro approach employs a top-down strategy to address this challenge, which has been studied with experimental tests on precipitation-strengthened Ni-based superalloy Haynes® 282®. In this approach, a macro rate-dependent anisotropic plasticity model with Voce-type hardening and Rice-Tracey damage law is first utilized to model the deformation and failure of the tensile bar, and calibrated by matching the stress-strain curves, necking strain, and reduction of area. Especially, to match the testing results under different applied strain rates, the rate-sensitivity parameter m and saturation stress in the elasticity model are modified to incorporate dependence on the local strain rate. Then, the ‘true’ stress-strain behaviors are extracted from the necking zone of the macro-model, which are used to calibrate a micro-model with explicit microstructures and governed by an extended crystal plasticity law. The consistency between the micro-model and macro-model are enforced during calibration. The calibration outcomes from the crystal plasticity model elucidate the materials intrinsic properties for slip, hardening, and failure, which is vital for further investigations into the microstructure-properties relationship and for accurate prediction of the material behavior under various test and service conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A high-order, localized-artificial-diffusivity method for Eulerian simulation of multi-material elastic-plastic deformation with strain hardening

A high-order method for Eulerian simulation of material undergoing large elastic–plastic deformation is developed. Thermodynamically consistent hyperelastic constitutive relations are assumed, facilitating the treatment of solids, liquids, and gases in a unified manner. Here, the method enables the simulation of multi-material interactions using a diffuse interface approach. Numerical capturing of material interfaces, shock waves, contact surfaces, and elastic-plastic strain discontinuities using high-order compact-difference schemes is assisted by Localized Artificial Diffusivity (LAD). In the new setting involving elastic–plastic deformation, the previously established terms for the artificial properties are verified to effectively regularize normal shocks. Additional LAD terms are introduced to the elastic and plastic kinematic equations to regularize shear shocks and other strain discontinuities, improving solution stability. Other important features of the method that improve robustness include the numerical treatment of compatibility terms in the kinematic equations, and the treatment of rotation. Particular emphasis is focused toward new advancements of the methods for plastic-deformation integration and the associated strain hardening of the material, including rate-dependent plasticity. The method is demonstrated on a variety of test problems, including 1-D impacts, a variant of the Shu-Osher problem, a Taylor impact, and a Richtmyer-Meshkov instability between two elastic–plastic solids with strain hardening.

42 ENGINEERING↗
DOE OSTI2024

Strength, plasticity, and spin transition of Fe-N compounds in planetary cores

Elastic and plastic properties of Fe-light element alloys and compounds are needed to determine the compositions and dynamics of planetary cores. Elastic strength and plastic deformation mechanisms and their relationship to electronic properties of ε-Fe 7 N 3 and γ’-Fe 4 N mixture were investigated by x-ray diffraction and x-ray emission spectroscopy in the diamond anvil cell from 1 bar up to 60 GPa. X-ray diffraction shows that ε-Fe 7 N 3 reaches a pressure of 15–20 GPa before undergoing bulk plasticity at a differential stress of 4.4–10.4 GPa. ε-Fe 7 N 3 is stronger than γ’-Fe 4 N and hcp-Fe which achieve a flow stress of 1.5–3.6 GPa at 10–15 GPa and 2–3 GPa at ~20 GPa, respectively. X-ray emission spectroscopy shows that a decrease in electronic spin moment begins before and completes after plastic flow onset for each nitride, suggesting that pressure-driven changes in electronic arrangement do not trigger a plastic response although they may modify the strength and plastic behavior of Fe-N compounds. Plastic deformation in ε-Fe 7 N 3 and hcp-Fe results in a preferred orientation of (0001) normal to maximum compression, while γ’-Fe 4 N develops a maximum in the (110). Furthermore, these observations may be combined with measurements of elasticity to model seismic properties of cores of small planetary bodies such as Mars, Mercury, and the Moon.

58 GEOSCIENCES↗
DOE OSTI2025

Analysis of Tar and Oil Derived from Pyrolysis and Copyrolysis of Waste Plastics and Biomass

Pyrolysis has been proposed as a potential technology for managing the growing volume of plastic waste generated worldwide. Co-pyrolysis of plastic waste with biomass is a promising technology for generating fuel and chemical products. However, this process generates tar as a waste product. The chemical properties of this tar have yet to be thoroughly analyzed. Further, this study presents the results of gas chromatography–mass spectrometry (GC–MS), Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA) of oil and tar obtained from the pyrolysis of pure plastics including high-density polyethylene (HDPE), low-density polyethylene (LDPE), polyethylene (PE), polystyrene (PS), and plastic-biomass mixtures. GC–MS analysis revealed the presence of C 7 –C 37 carbon-containing hydrocarbons, which include alkanes and alkenes as the dominant products. FTIR data revealed the presence of various functional groups, including alcohols, aldehydes, ketones, and carboxylic acids, indicating the complexity of the pyrolysis and copyrolysis oil obtained from waste plastics and biomass. TGA data show that tar from all four plastics has a higher decomposition rate, suggesting the presence of heavier hydrocarbons compared with their corresponding oils. This research will be of interest to researchers looking to advance the study of plastic and biomass waste management.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Modeling Sequences of Earthquakes and Aseismic Slip (SEAS) in Elasto-Plastic Fault Zones With a Hybrid Finite Element Spectral Boundary Integral Scheme

We present a coupled finite element spectral boundary integral framework for modeling sequences of earthquakes and aseismic slip on a 2-D planar rate-and-state fault with off-fault visco-plastic response in the plane strain approximation. The model resolves both slow aseismic deformation and inertia effects during rapid slip. As an application, we perform two sets of simulations with different choices of cohesion to explore the co-evolution of fault slip, bulk plasticity and local stress fields. The first set implements a relatively large value of the cohesion parameter, which results in limiting inelastic strain accumulation to dynamic rupture phases. The second set implements a smaller cohesion, allowing for plastic strain to accumulate in both seismic and aseismic phases. For the first model, our results indicate that the extent and distribution of plastic strain depend on the angle of maximum compressive principal stress. At larger angles, inelastic strain accumulates on the extensional side of a dynamically propagating rupture. At smaller angles, the extent of plasticity is limited to the compressional side of the domain. At smaller cohesion values, off-fault plasticity may occur during aseismic slip, which alters the nucleation characteristics and earthquake sequence pattern. Furthermore, our results at lower cohesion values indicate that plastic strain accumulation may occur in both the extensional and compressional sides of the off-fault bulk even at higher angles of maximum compression. In conclusion, this produces damage patterns that deviate from the traditional off-fault fan-like distribution observed in dynamic rupture simulations and emphasizes the significance of long-term deformation in interpreting observations.

58 GEOSCIENCES↗
DOE OSTI2021

Chemical and Biological Catalysis for Plastics Recycling and Upcycling

Plastics pollution is causing an environmental crisis, prompting the development of new approaches for recycling, and upcycling. Here, we review challenges and opportunities in chemical and biological catalysis for plastics deconstruction, recycling, and upcycling. We stress the need for rigorous characterization and use of widely available substrates, such that catalyst performance can be compared across studies. Where appropriate, we draw parallels between catalysis on biomass and plastics, as both substrates are low-value, solid, recalcitrant polymers. Innovations in catalyst design and reaction engineering are needed to overcome kinetic and thermodynamic limitations of plastics deconstruction. Either chemical and biological catalysts will need to act interfacially, where catalysts function at a solid surface, or polymers will need to be solubilized or processed to smaller intermediates to facilitate improved catalyst–substrate interaction. Overall, developing catalyst-driven technologies for plastics deconstruction and upcycling is critical to incentivize improved plastics reclamation and reduce the severe global burden of plastic waste.

28 EE - Advanced Manufacturing Office (EE-5A)↗