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DOE OSTI2025

The rigorous upscaling of advection-dominated transport in heterogeneous porous media via the Method of Finite Averages

Systems involving advection-dominated transport through heterogeneous porous and fractured media are ubiquitous in subsurface engineering applications. However, upscaling such systems continues to challenge rigorous modeling efforts, particularly when advection is stronger than diffusion at fine spatial scales (i.e., when the Péclet number is greater than one at length scales that characterize a system’s unit-cells, representative elementary volumes, or averaging regions). Here, in this work, we propose and validate a strategy for extending the Method of Finite Averages (MoFA), a rigorous upscaling methodology for heterogeneous porous media, to upscale transport systems experiencing stronger advection than diffusion at fine scales (i.e., fine-scale Péclet numbers greater than one). We detail the strategy, the physical conditions under which it can be applied while retaining a priori modeling error guarantees, and implement the strategy to obtain a MoFA model for advective-diffusive transport that accommodates advective physics at fine spatial scales. We then perform two numerical experiments considering systems with system-scale Péclet numbers of 300 and 1000 — which correspond to fine-scale Péclet numbers of 30 and 100, respectively — to verify that the error guarantees are met under the strategy. After, we conduct a numerical study to demonstrate the strategy’s advantages over the original MoFA methodology. The results suggest that rigorously-upscaled transport models for heterogeneous porous media experiencing advective physics at finer spatial scales can be derived through MoFA and resolved orders of magnitude faster than their pore-scale counterparts. The results also suggest that the presented strategy is limited to modeling shallow concentration gradients when there are large differences between the time scales related to advection and a system’s temporally-varying boundary conditions. This limitation hinders the strategy’s practicality in modeling more advective systems, and as such, opportunity exists for developing additional strategies that accommodate rapidly-varying boundary conditions — and consequentially, steeper concentration gradients — while modeling advective systems with MoFA.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Numerical modeling and performance analysis of a membrane-based air dehumidifier using ionic liquid desiccant

Membrane-based Liquid Desiccant Air Dehumidifier (MLDAD) has the potential to overcome the shortcomings of the conventional open-tower liquid desiccant air dehumidifier. The MLDAD uses membranes with high water vapor permeability to separate air stream from the liquid desiccant and thus eliminates carry-over and the resulting corrosion issues. Recently, the ionic liquid desiccant becomes a promising alternative to conventional liquid desiccant. The ionic liquid desiccant has a large potential of dehumidification, which is also non-corrosive to metals and non-crystallizable. A two-dimensional numerical heat and mass transfer model of the MLDAD using a recently identified ionic liquid desiccant, [EMIM]OAc, is presented in this paper. We report this model can simulate the performance of the MLDAD with various designs, including different selections of liquid desiccant and membrane materials, dimensions of the MLDAD, and flow patterns. For porous membranes, this model accounts for several micro-scale mass transfer mechanisms of vapor transportation across the membrane. It can also model the mass transfer performance of dehumidifiers using non-porous membranes based on the experimentally measured membrane permeance. The numerical model was validated against the performance data available from literature and experimental tests. The maximum discrepancy of the latent effectiveness between the measured and the model-predicted results was about 6% when porous membranes were used. A parametric study was conducted with the numerical model. The results indicated that the membrane permeability, air path height, and solution to air mass ratio were the most critical parameters, determining the dehumidification performance of the MLDAD.

42 ENGINEERING↗

DOE OSTI2020

Numerical modeling and performance analysis of a membrane-based air dehumidifier using ionic liquid desiccant

Membrane-based Liquid Desiccant Air Dehumidifier (MLDAD) has the potential to overcome the shortcomings of the conventional open-tower liquid desiccant air dehumidifier. The MLDAD uses membranes with high water vapor permeability to separate air stream from the liquid desiccant and thus eliminates carry-over and the resulting corrosion issues. Recently, the ionic liquid desiccant becomes a promising alternative to conventional liquid desiccant. The ionic liquid desiccant has a large potential of dehumidification, which is also non-corrosive to metals and non-crystallizable. A two-dimensional numerical heat and mass transfer model of the MLDAD using a recently identified ionic liquid desiccant, [EMIM]OAc, is presented here. This model can simulate the performance of the MLDAD with various designs, including different selections of liquid desiccant and membrane materials, dimensions of the MLDAD, and flow patterns. For porous membranes, this model accounts for several micro-scale mass transfer mechanisms of vapor transportation across the membrane. It can also model the mass transfer performance of dehumidifiers using non-porous membranes based on the experimentally measured membrane permeance. The numerical model was validated against the performance data available from literature and experimental tests. The maximum discrepancy of the latent effectiveness between the measured and the model-predicted results was about 6% when porous membranes were used. A parametric study was conducted with the numerical model. Finally, the results indicated that the membrane permeability, air path height, and solution to air mass ratio were the most critical parameters, determining the dehumidification performance of the MLDAD.

42 ENGINEERING↗

DOE OSTI2022

Laser-Assisted Synthesis of Monolayer 2D MoSe 2 Crystals with Tunable Vacancy Concentrations: Implications for Gas and Biosensing

We report tuning the structural and electronic properties of atomically thin two-dimensional (2D) materials via defect and vacancy engineering is the key to enabling their potential use in various applications, including electronics, energy, and sensing devices. Vacancies are, for instance, becoming highly promising for the enhanced interaction of gases and biomolecules with 2D materials in energy and sensing applications. However, the deterministic generation of desirable vacancies with tunable concentrations remains a challenge in 2D materials due to the limitations in the current growth methods, such as the complex reaction chemistries and gas flow dynamics. Therefore, engineering defects and vacancies in 2D materials have been mainly limited to destructive top-down processes such as heating, ion bombardments, and laser postprocessing. Here, we introduce a single-step bottom-up synthesis approach for the growth of monolayer MoSe 2 crystals with tunable vacancy concentrations. This method utilizes the spatiotemporal properties and adjustable power densities of the lasers to control the vaporization dynamics of the stoichiometric MoSe 2 powders. Such a mechanism in the vaporization allows us to grow tunable stoichiometry monolayer MoSe 2–x crystals on the substrates. The localized and time-controlled (250 ms to 2 s) vaporization of the MoSe 2 powder by a CO 2 laser enables the formation of monolayer crystals with controlled vacancy concentrations ranging from ~1 to 20%. The effects of laser power, laser irradiation time, and background pressure on the tuning range and subsequent properties of the crystals are investigated and quantified using Raman and photoluminescence spectroscopy, scanning transmission electron microscopy (STEM), and time-correlated single-photon counting (TCSPC). This bottom-up synthesis is a promising approach that allows the deterministic vacancy tuning for future electronics and, in particular, gas and biosensing applications without the need for further postprocessing and potential structural disruption of the crystals.

2D materials↗

DOE OSTI2023

Relevance of Tritium Breeder Irradiation Testing in a Fusion Prototypic Neutron Source

A fusion prototypic neutron source (FPNS) will play a fundamental role in testing and developing fusion materials that can withstand the harsh fusion environment. We conducted a thorough assessment to determine whether blanket materials would benefit from FPNS testing. Because of the cross sections for the various blanket materials, lithium-containing materials can generally be tested adequately using existing fission irradiation capabilities instead of waiting for or relying solely on future FPNS experiments. However, non-lithium blanket materials, such as beryllium multipliers and flow channel inserts, should be tested under a fusion neutron spectrum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Co-flow injection for serial crystallography at X-ray free-electron lasers

Serial femtosecond crystallography (SFX) is a powerful technique that exploits X-ray free-electron lasers to determine the structure of macromolecules at room temperature. Despite the impressive exposition of structural details with this novel crystallographic approach, the methods currently available to introduce crystals into the path of the X-ray beam sometimes exhibit serious drawbacks. Samples requiring liquid injection of crystal slurries consume large quantities of crystals (at times up to a gram of protein per data set), may not be compatible with vacuum configurations on beamlines or provide a high background due to additional sheathing liquids present during the injection. Proposed and characterized here is the use of an immiscible inert oil phase to supplement the flow of sample in a hybrid microfluidic 3D-printed co-flow device. Co-flow generation is reported with sample and oil phases flowing in parallel, resulting in stable injection conditions for two different resin materials experimentally. A numerical model is presented that adequately predicts these flow-rate conditions. The co-flow generating devices reduce crystal clogging effects, have the potential to conserve protein crystal samples up to 95% and will allow degradation-free light-induced time-resolved SFX.

3D printing↗

DOE OSTI2022

Comparison of animal and human blood for in vitro dynamic thrombogenicity testing of biomaterials

Abstract Background To determine suitable alternatives to human blood for in vitro dynamic thrombogenicity testing of biomaterials, four different animal blood sources (ovine, bovine, and porcine blood from live donors, and abattoir porcine blood) were compared to fresh human blood. Methods To account for blood coagulability differences between individual donors and species, each blood pool was heparinized to a donor‐specific concentration immediately before testing in a dynamic flow loop system. The target heparin level was established using a static thrombosis pre‐test. For dynamic testing, whole blood was recirculated at room temperature for 1 h at 200 ml/min through a flow loop containing a single test material. Four materials with varying thrombotic potentials were investigated: latex (positive control), polytetrafluoroethylene (PTFE) (negative control), silicone (intermediate thrombotic potential), and high‐density polyethylene (HDPE) (historically thromboresistant). Thrombus weight and surface area coverage on the test materials were quantified, along with platelet count reduction in the blood. Results While donor‐specific heparin levels varied substantially from 0.6 U/ml to 7.0 U/ml among the different blood sources, each source was able to differentiate between the thrombogenic latex and the thromboresistant PTFE and HDPE materials ( p < 0.05). However, only donor ovine and bovine blood were sensitive enough to differentiate an increased response for the intermediate thrombotic silicone material compared to PTFE and HDPE. Conclusions These results demonstrated that multiple animal blood sources (particularly donor ovine and bovine blood) may be suitable alternatives to fresh human blood for dynamic thrombogenicity testing when appropriate control materials and donor‐specific anticoagulation levels are used.

Engineering↗

DOE OSTI2024

DualSPHysics-INL

Funded by the DOE's Bioenergy Technology Office through the Feedstock-Conversion Interface Consortium, INL researchers developed this code to model biomass freestock flow in various handling equipment, such as hoppers and augers. Built on top of an existing open-source code DualSPHysics (https://dual.sphysics.org/) , the enrichment includes modification of the mass conservation equation that switching tracking density to void ratio, adding a hypoplastic constitutive law to better capture the flow physics of this type of material and implementing a novel boundary condition that can handle the dynamic contact between material and equipment. All implementation were realized via Nvidia CUDA, so GPU accelaration can be leveraged to signifiantly speed up the computational process.

Jin, Wencheng [Idaho National Laboratory (INL), Id↗

DOE OSTI2024

Utah FORGE: Injection and Production Test results and Reports from August 2024

This dataset includes results and reports from the injection/production test for wells 16A(78)-32 and 16B(78)-32 in August, 2024 at Utah FORGE. Materials include injection, post stimulation production, flow rate, gamma, temperature and pressure survey results. For the respective wells, injection and production profile results and interpretations are provided in .xlsx and .las file formats. Additionally, for both wells, preliminary and final reports are included and provide logging procedures and visualizations of the results.

15 GEOTHERMAL ENERGY↗

DOE OSTI2022

Collaborative Research: Unravelling the Physics Associated with the Production of Extremely Dense Plasma States of Microscale (Final Report) Nanosecond-pulsed Discharges

The aim of this project is to study and establish the physical mechanisms that contribute to the formation of anomalously dense plasmas in high-pressure nanosecond-pulsed discharges. These discharges have a broad range of applications such as plasma-assisted combustion, plasma flow actuators, biomedical sterilization and exotic materials synthesis. The structure and formation of these discharges, producing high plasma densities of ~10 14 -10 15 cm -3 , are well-studied and understood. Fast-pulsed microscale high-pressure discharges can be driven to even higher densities of > 10 19 cm -3 , approaching warm dense matter conditions. The mechanisms that generate these plasmas have not been understood. Analysis of the warm dense matter state under laboratory conditions is an expensive and non-trivial endeavor. For instance, dense plasmas can be generated by electrical explosions of metal foils and wires. Plasmas generated after the explosion have a short lifetime and often present difficult conditions for diagnostics. Generation of dense plasmas was also achieved during high-voltage nanosecond pulsed discharges when the so-called explosive electron emission is obtained. Unfortunately, this process is very difficult to control for the studies of warm dense matter. In our recent study, we have shown that additional heating of plasma by lasers can further increase the density of plasma and even lead to the fully ionized state. This method, potentially, allows better control of the plasma parameters. In this work, we studied a second stage laser-heated micro-discharge using a self-consistent one-dimensional particle-in-cell Monte Carlo-collision (1D PIC-MCC) model coupled with Maxwell’s equations. We predicted the generation of a fully ionized plasma on the picosecond time scale. However, this model considered the plasma as an ideal gas despite the high pressure and the nearly fully ionized state. The ideal plasma model assumes that the dilute gas approximation is valid, where the inter-particle interactions are negligible. For charged particles this assumption holds as long as the shielded Coulomb potential assumption is valid. For very high plasma densities, this concept breaks down since the Debye sphere surrounding each charged particle no longer contains enough electrons to statistically provide the shielding of the single particle Coulomb interaction potential. At such densities, the plasma can no longer be described as ideal and non-ideal coupling effects need to be considered. In this report, we elucidate our recent work of developing a PIC-MCC model with improvements for non-ideal plasma conditions due to Coulomb coupling at high densities. In particular, we study the interaction of green light radiation and a dense microplasma, and explore the non-ideal plasma effects in this interaction. In this computational model, we implement the two most important non-ideal effects: ionization potential depression (IPD) and enhanced collision cross sections. Our primary goal is to study the physics associated with electromagnetic (EM) wave heating, also called the second-stage wave-heating, and establish the role of plasma non-ideality in this phenomenon. Our secondary goal is to improve the chemistry mechanism of the 1D PIC-MCC model by including a more detailed excited species collision treatment. At high pressures, stepwise ionization from excited species might play an important role in the ionization process. Previously, this ionization mechanism was neglected due to the excitation collision cross section of xenon being smaller than that of ionization. However, a preliminary study showed that the excited species density in the initial microplasma was an order of magnitude higher than the electron density. Therefore, my aim is to determine the significance of this additional ionization pathway to the plasma generation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Harnessing stratospheric diffusion barriers for enhanced climate geoengineering

Stratospheric sulfate aerosol geoengineering is a proposed method to temporarily intervene in the climate system to increase the reflectance of shortwave radiation and reduce mean global temperature. In previous climate modeling studies, choosing injection locations for geoengineering aerosols has, thus far, only utilized the average dynamics of stratospheric wind fields instead of accounting for the essential role of time-varying material transport barriers in turbulent atmospheric flows. Here we conduct the first analysis of sulfate aerosol dispersion in the stratosphere, comparing what is now a standard fixed-injection scheme with time-varying injection locations that harness short-term stratospheric diffusion barriers. We show how diffusive transport barriers can quickly be identified, and we provide an automated injection location selection algorithm using short forecast and reanalysis data. Within the first 7 d days of transport, the dynamics-based approach is able to produce particle distributions with greater global coverage than fixed-site methods with fewer injections. Additionally, this enhanced dispersion slows aerosol microphysical growth and can reduce the effective radii of aerosols up to 200–300 d after injection. While the long-term dynamics of aerosol dispersion are accurately predicted with transport barriers calculated from short forecasts, the long-term influence on radiative forcing is more difficult to predict and warrants deeper investigation. Statistically significant changes in radiative forcing at timescales beyond the forecasting window showed mixed results, potentially increasing or decreasing forcing after 1 year when compared to fixed injections. We conclude that future feasibility studies of geoengineering should consider the cooling benefits possible by strategically injecting sulfate aerosols at optimized time-varying locations. Our method of utilizing time-varying attracting and repelling structures shows great promise for identifying optimal dispersion locations, and radiative forcing impacts can be improved by considering additional meteorological variables.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Multimodal (Non)Linear Optical Nanoimaging and Nanospectroscopy

This article highlights recent advances in linear and nonlinear spectral nanoimaging. The described developments are motivated by the need to characterize molecular and material systems noninvasively with nanometer spatial and femtosecond temporal resolution. Indeed, the ability to image and chemically characterize heterogeneous interfaces with joint nano–femto resolution is a prerequisite to advancing our fundamental understanding of processes as diverse as heterogeneous catalysis, microbial communication, and energy flow in pristine/defect-containing low-dimensional quantum materials, to name a few. We describe pioneering work and recent demonstrations of (non)linear optical nanoimaging and nanospectroscopy, with an emphasis on high spatial resolution measurements conducted under ambient laboratory conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

A Review of Computational Models for the Flow of Milled Biomass Part I: Discrete-Particle Models

Biomass is a renewable and sustainable energy resource. Current design of biomass handling and feeding equipment leverage both experiments and numerical modeling. This paper reviews the state-of-the-art discrete element methods (DEM) for the flow of milled biomass (Part I), accompanied by a comprehensive review on continuum-based computational models (Part II). The present review on DEM is primarily focused on the features and suitability of various particle shape models for different types of milled biomass because particle shape is the predominant attribute controlling the flow behavior of complex-shaped granular material. The general strengths and weaknesses in the applicability of those models for the milled biomass modeling are summarized. In particular, comments are provided to balance the numerical model capabilities and the computational cost for the development of DEM models. To our best knowledge, this is the first-of-its-kind review on DEM specifically for biomass. Our study indicates that the current DEM models require further development, calibration, and validation based on a deep understanding of biomass particle contact mechanics and experimental data support before they can be reliably used for predictive simulations in handling and feeding systems.

42 ENGINEERING↗

DOE OSTI2021

Modeling the Nonlinear Rheology of Polymer Additive Manufacturing

This report summarizes molecular and continuum simulation studies focused on developing physics - based predictive models for the evolution of polymer molecular order during the nonlinear processing flows of additive manufacturing. Our molecular simulations of polymer elongation flows identified novel mechanisms of fluid dissipation for various polymer architectures that might be harnessed to enhance material processability. In order to predict the complex thermal and flow history of polymer realistic additive manufacturing processes, we have developed and deployed a high - performance mesh - free hydrodynamics module in Sandia's LAMMPS software. This module called RHEO – short for Reproducing Hydrodynamics and Elastic Objects – hybridizes an updated - Lagrange reproducing - kernel method for complex fluids with a bonded particle method (BPM) to capture solidification and solid objects in multiphase flows. In combination, our two methods allow rapid, multiscale characterization of the hydrodynamics and molecular evolution of polymers in realistic processing geometries.

36 MATERIALS SCIENCE↗

DOE OSTI2024

DAISY Benchmark Performance Data

This repository contains the underlying data from benchmark experiments for Drifting Acoustic Instrumentation SYstems (DAISYs) in waves and currents described in "Performance of a Drifting Acoustic Instrumentation SYstem (DAISY) for Characterizing Radiated Noise from Marine Energy Converters" (https://link.springer.com/article/10.1007/s40722-024-00358-6). DAISYs consist of a surface expression connected to a hydrophone recording package by a tether. Both elements are instrumented to provide metadata (e.g., position, orientation, and depth). Information about how to build DAISYs is available at https://www.pmec.us/research-projects/daisy. The repository's primary content is three compressed archives (.zip format), each containing multiple MATLAB binary data files (.mat format). A table relating individual data files to figures in the paper, as well as the structure of each file, is included in the repository as a Word document (Data Description MHK-DR.docx). Most of the files contain time series information for a single DAISY deployment (file naming convention: [site]_DAISY_[Drift #].mat) consisting of processed hydrophone data and associated metadata. For a limited number of DAISY deployments, the hydrophone package was replaced with an acoustic Doppler velocimeter (file naming convention: [site]_DAISY_[Drift #]_ADV.mat). Data were collected over several years at three locations: (1) Sequim Bay at Pacific Northwest National Laboratory's Marine & Coastal Research Laboratory (MCRL) in Sequim, WA, the energetic tidal channel in Admiralty Inlet, WA (Admiralty Inlet), and the U.S. Navy's Wave Energy Test Site (WETS) in Kaneohe, HI. Brief descriptions of data files at each location follow. - MCRL - (1) Drift #4 and #16 contrast the performance of a DAISY and a reference hydrophone (icListen HF Reson), respectively, in the quiescent interior of Sequim Bay (September 2020). (2) Drift #152 and #153 are velocity measurements for a drifting acoustic Doppler velocimeter in in the tidally-energetic entrance channel inside a flow shield and exposed to the flow, respectively (January 2018). (3) Two non-standard files are also included: DAISY_data.mat corresponds to a subset of a DAISY drift over an Adaptable Monitoring Package (AMP) and AMP_data.mat corresponds to approximately co-temporal data for a stationary hydrophone on the AMP (February 2019). - Admiralty Inlet - (1) Drift #1-12 correspond to tests with flow shielded DAISYs, unshielded DAISYs, a reference hydrophone, and drifting acoustic Doppler velocimeter with 5, 10, and 15 m tether lengths between surface expression and hydrophone recording package (July 2022). (2) Drift #13-20 correspond to tests of flow shielded DAISYs with three different tether materials (rubber cord, nylon line, and faired nylon line) in lengths of 5, 10, and 15 m (July 2022). - WETS - (1) Drift #30-32 correspond to tests with a heave plate incorporated into the tether (standard configuration for wave sites), rubber cord only, and rubber cord, but with a flow shielded hydrophone (November 2022). (2) Drift #49-58 and Drift #65-68 correspond to measurements around mooring infrastructure at the 60 m berth where time-delay-of-arrival localization was demonstrated for different DAISY arrangements and hydrophone depths (November 2022).

16 TIDAL AND WAVE POWER↗

DOE OSTI2022

Multi-Sensor Data Acquisition System for Process Monitoring

Idaho National Laboratory is building a new nuclear fuel cycle test bed. This fuel cycle test bed named “Beartooth” will give researchers the opportunity to study the nuclear fuel cycle process. The process operations include the use of centrifugal contactors and process flow for the purification of special nuclear material recovery in used fuel. This new research facility has the need to use non-traditional measurement sensors to determine the state-of-health of the solvent extraction process. These non-traditional sensors can also enhance nuclear nonproliferation supervision and other activities. The non-traditional sensors include accelerometers, acoustic, current, flow, colorimetric, temperature, pH and conductivity. The challenge behind deploying all these sensors, is the need for fast and reliable data collection. The data acquisition system (DAQ) needs to be capable of recording up to 12 accelerometers and/or acoustic microphones simultaneously at rates up to 12.8 kSamples/second/channel. This requires the need for a strong architecture and data collection solution. This summary identifies the system architecture, DAQ, and sensors needed to support non-traditional measurements in a solvent extraction process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions

Many materials of interest to Sandia transition from fluid to solid or have regions of both phases coexisting simultaneously. Currently there are, unfortunately, no material models that can accurately predict this material response. This is relevant to applications that "birth stress" related to geoscience, nuclear safety, manufacturing, energy production and bioscience. Accurately capturing solidification and residual stress enables fully predictive simulations of the evolving front shape or final product. Accurately resolving flow of proppants or blood could reduce environmental impact or lead to better treatments for heart attacks, thrombosis, or aneurism. We will address a science question in this proposal: When does residual stress develop during the critical transition from liquid to solid and how does it affect material deformation? Our hypothesis is that these early phases of stress development are critical to predictive simulation of material performance, net shape, and aging. In this project, we use advanced constitutive models with yield stress to represent both fluid and solid behavior simultaneously. The report provides an abbreviated description of the results from our LDRD "Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions," since we have written four papers that document the work in detail and which we reference. We give highlights of the work and describe the gravitationally driven flow visualization experiment on a model yield stress fluid, Carbopol, at various concentrations and flow rates. We were able to collapse the data on a single master curve by showing it was self-similar. We also describe the Carbopol rheology and the constitutive equations of interest including the Bingham-Carreau-Yasuda model, the Saramito model, and the HB-Saramito model including parameter estimation for the shear and oscillatory rheology. We present several computational models including the 3D moving mesh simulations of both the Saramito models and Bingham-Carreau-Yasuda (BCY) model. We also show results from the BCY model using a 3D level set method and two different ways of handling reduced order Hele-Shaw modeling for generalized Newtonian fluids. We present some first ever two-dimensional results for the modified Jeffries Kamani-Donley-Rogers constitutive equation developed during this project. We include some recent results with a successful Saramito-level set coupling that allows us to tackle problems with complex geometries like mold filling in a thin gap with an obstacle, without the need for remeshing or remapping. We report on some experiments for curing systems where fluorescent particles are used to track material flow. These experiments were carried out in an oven on Sylgard 184 as a model polymerizing system. We conclude the report with a summary of accomplishments and some thoughts on follow-on work.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Paper or Plastic? Multiscale Material Handling Properties of Two Model Municipal Solid Waste Streams

Purpose: Municipal Solid Waste (MSW) is a potentially valuable sustainable feedstock for fuel and chemical production due to its carbon-rich content and low cost. This study aims to assess the material handling properties of paperand plastic-rich MSW feedstocks to mitigate equipment failure and processing downtime. Methods: The material handling properties of crumbled MSW feedstocks were measured using apowder rheometer with mass flow hopper calculations to assess handling performance. Inverse gas chromatography was use to measure the surface energy differences between feedstocks. Electron microscopy and Raman spectroscopy was used to evaluate microscale features that may contribute to material handling differences. Results: Plastic and paper rich feedstocks crumbled to a nominal 2 mm particle size were observed to have similar flow and handling characteristics with reasonable hopper outlets. 2 mm plastic rich crumbles, with their higher bulk density, exhibited superior flow performance. By contrast, 4 mm material required significantly larger hopper outlets, indicating poor flowability. Paper rich and 4 mm plastic rich samples displayed broad particle size distributions, which contributed to particle interlocking, jamming, and other flow issues. Electron microscopy revealed that plastic rich samples were significantly smoother, enhancing their flowability compared to the rougher, paper rich materials. Conclusions: This study establishes critical material handling baselines for processing MSW as a viable feedstock for fuel and chemical production. The findings highlight the importance of optimizing particle size and feedstock composition to improve flowability and handling performance.

09 BIOMASS FUELS↗