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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Experimental Investigation on Separation Behavior of Heavy-Oil Emulsion for Polymer Flooding on Alaska North Slope

The first-ever field pilot on Alaska North Slope (ANS) to validate using polymer floods for heavy-oil enhanced oil recovery is currently ongoing. One of the major concerns of the operator is the effect of polymer on oil/water-separation efficiency after polymer breakthrough. This work investigates the influence of polymer on the separation behavior of heavy-oil emulsions and evaluates the performance of emulsion breakers (EBs). In this study, two types of heavy-oil emulsions were prepared and tested at 20 and 50% water cut (WC), respectively. The bottle test method was used in the experiments, in which the separated water volume with time, the separated water quality, and the volume fraction of phases were recorded. Results showed that polymer accelerated the oil/water separation acting as an emulsion inhibitor at 20% WC but tended to impede the water separation at 50% WC. Regardless of WC, polymer resulted in poor water quality and the formation of a stable intermediate oil in water (o/w) emulsion, because of the increased viscosity of the water phase. The performance of EBs showed a complex dependency on the WC, the type of demulsifier and dosage, and the polymer concentration. Despite the varied conditions encountered in the heavy-oil/water/polymer/demulsifier system, a compound EB achieved satisfactory demulsification performance, showing the highest potential for deployment in the current ANS polymer flooding pilot. Here, we systematically studied the potential influence of polymer breakthrough on the separation behavior of heavy-oil emulsion on ANS for the first time. The findings of this study will provide practical guidance in advance for produced fluid treatment of the ongoing first-ever polymer flooding pilot on ANS.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Using Radioiodine Speciation to Address Environmental Remediation and Waste Stream Sequestration Problems at the Fukushima Daiichi Nuclear Power Plant and a DOE Site

Iodine-129 ( 129 I), with a half-life of half-life of 16 million years, is commonly considered the single greatest risk driver in high-level and low-level nuclear repositories. This risk stems from several basic properties of 129 I, and under many geochemical conditions, it can move as an anion at nearly the rate of water through the subsurface environment. 129 I is also extremely radiologically toxic because over 90% of body burden accumulates in the thyroid, which weighs only about 14g in an adult. There is also a large worldwide inventory of radioiodine as a result of its high fission yield and this inventory is rapidly increasing as a result of nuclear energy production. Radioiodine is produced at a rate of 40 GBq (1 Ci) per gigawatt of electricity produced by nuclear power. To illustrate how the properties of 129 I magnify its risk, 129 I accounts for only 0.00002% of the radiation released from the Savannah River Site in Aiken, South Carolina, but contributes 13% of the population dose, a six orders of magnitude magnification of risk with respect to its radioactivity. The currently favored solid phase for LLW immobilization is cement, while HLW immobilization is the incorporation of waste into glass (vitrification). However, so far, the incorporation into cement and subsequent leaching of only iodide has been seriously investigated. The major problem with this approach is that it ignores the complex speciation of iodine, i.e., it ignores iodate and organo-iodine which have different chemistries. Most of the past research was devoted to the mechanism of iodide uptake in cement hydrate phases that is sorption and/or incorporation. Very few data exist on iodate and organo-iodine incorporation in cement, even though large quantities of liquid waste containing also radioiodine have already been solidified in cement Iodine-129 from low-level waste is commonly disposed of in cementitious materials. Grout, a dense cementitious fluid, mixed with a reducing slag, is often used to immobilize radionuclides. However, the reducing environment might not be conducive to immobilize iodine. For example, the silver based immobilization technologies (e.g., AgCl, Ag-impregnated granular activated carbon, Ag-mordenite) remove iodine from the aqueous phase by promoting the formation of Ag-iodide precipitates. The solubility of AgI is eight orders of magnitude lower than it is for AgIO 3 . Similarly, coprecipitation of iodine into calcium carbonate phases occurs only with IO 3 - and not with I - and org-I. If one would want to immobilize iodine more effectively, different engineering approaches would need to be used to promote binding of I - , IO 3 - , or organo-I. Using laboratory experiments with grout, slag, and silver-based adsorbents, and GC-MS and I K-edge XANES and EXAFS and C K-edge XANES spectroscopy for identifying iodine speciation, the major problems with these methods have been identified as focused too much on just one of the iodine species for immobilization, while others, especially organo-I, remained mobile. Finally, we established that most of the adsorbents that are used contain sufficient amounts of organic matter to create organo-I . It is anticipated that increased attention directed at understanding and quantifying the speciation of radioiodine, as opposed to simply total radioiodine, will lead to improved remediation results to be used for long-term radioiodine disposal in cementitious waste forms.

129-Iodine↗
DOE OSTI2024

Investigating Soil Organic Matter Complexation using Spectral Induced Polarization

Spectral induced polarization (SIP) laboratory experiments were conducted to determine the sensitivity of this method to the formation of soil organic matter (SOM) complexes, with a long-term goal of field-scale monitoring. There are few SIP experiments that have explored this topic, yet understanding the dynamic behavior and interactions of SOM at the field scale could provide insight into soil fertility and health which influences crop yields, microorganisms that degrade organic pollutants, and carbon stabilization. We present the results of three experiments where the iron oxide, ferrihydrite (Fhy), was used to coat different media, and then the OM compound pentaglycine (PG) was pulse injected to form SOM complexes. SIP data was collected during these injections to capture any surface complexation changes. These experiments were performed in 1) a fluidic cell containing a micromodel, 2) a column containing Fhy coated ceramic beads and 3) a column containing Fhy coated Accusand®. Our results show a higher frequency response (defined here as > 1 Hz) in all three experiments, with the largest amplitude response after the first PG injection (Figure S.1). The repeatability of this response is encouraging and supporting data collected on the Accusand® experiment provides preliminary insight into the mechanisms controlling the SIP signatures. Sampling of fluid conductivity $σ_w$ and pH may indicate deprotonation of SOM occurring or rapid adsorption and release of protons from the Fhy sites. However additional experiments are needed to identify and confirm the primary and secondary reactions impacting the SIP response. We are looking towards other opportunities to continue this work, particularly to repeat experiments while collecting supporting datasets.

58 GEOSCIENCES↗
DOE OSTI2023

Comparison of free vortex wake and blade element momentum results against large-eddy simulation results for highly flexible turbines under challenging inflow conditions

Abstract. Throughout wind energy development, there has been a push to increase wind turbine size due to the substantial economic benefits. However, increasing turbine size presents several challenges, both physically and computationally. Modeling large, highly flexible wind turbines requires highly accurate models to capture the complicated aeroelastic response due to large deflections and nonstraight blade geometries. Additionally, the development of floating offshore wind turbines requires modeling techniques that can predict large rotor and tower motion. Free vortex wake methods model such complex physics while remaining computationally tractable to perform key simulations necessary during the turbine design process. Recently, a free vortex wake model – cOnvecting LAgrangian Filaments (OLAF) – was added to the National Renewable Energy Laboratory's engineering tool OpenFAST to allow for the aerodynamic modeling of highly flexible turbines along with the aero-hydro-servo-elastic response capabilities of OpenFAST. In this work, free vortex wake and low-fidelity blade element momentum (BEM) results are compared to high-fidelity actuator-line computational fluid dynamics simulation results via the Simulator fOr Wind Farm Applications (SOWFA) method for a highly flexible downwind turbine for varying yaw misalignment, shear exponent, and turbulence intensity conditions. Through these comparisons, it was found that for all considered quantities of interest, SOWFA, OLAF, and BEM results compare well for steady inflow conditions with no yaw misalignment. For OLAF results, this strong agreement with the SOWFA results was consistent for all yaw misalignment values. The BEM results, however, deviated significantly more from the SOWFA results with increasing absolute yaw misalignment. Differences between OLAF and BEM results were dominated by the yaw misalignment angle, with varying shear exponent and turbulence intensity leading to more subtle differences. Overall, OLAF results were more consistent than BEM results when compared to SOWFA results under challenging inflow conditions.

17 WIND ENERGY↗
DOE OSTI2023

Turbulent dynamo action and its effects on the mixing at the convective boundary of an idealized oxygen-burning shell

Convection is one of the most important mixing processes in stellar interiors. Hydrodynamic mass entrainment can bring fresh fuel from neighboring stable layers into a convection zone, modifying the structure and evolution of the star. Because flows in stellar convection zones are highly turbulent, multidimensional hydrodynamic simulations are fundamental to accurately capture the physics of mixing processes. Under some conditions, strong magnetic fields can be sustained by the action of a turbulent dynamo, adding another layer of complexity and possibly altering the dynamics in the convection zone and at its boundaries. In this study, we used our fully compressible S EVEN -L EAGUE H YDRO code to run detailed and highly resolved three-dimensional magnetohydrodynamic simulations of turbulent convection, dynamo amplification, and convective boundary mixing in a simplified setup whose stratification is similar to that of an oxygen-burning shell in a star with an initial mass of 25 M ⊙ . We find that the random stretching of magnetic field lines by fluid motions in the inertial range of the turbulent spectrum (i.e., a small-scale dynamo) naturally amplifies the seed field by several orders of magnitude in a few convective turnover timescales. During the subsequent saturated regime, the magnetic-to-kinetic energy ratio inside the convective shell reaches values as high as 0.33, and the average magnetic field strength is ∼10 10 G. Such strong fields efficiently suppress shear instabilities, which feed the turbulent cascade of kinetic energy, on a wide range of spatial scales. The resulting convective flows are characterized by thread-like structures that extend over a large fraction of the convective shell. The reduced flow speeds and the presence of magnetic fields with strengths up to 60% of the equipartition value at the upper convective boundary diminish the rate of mass entrainment from the stable layer by ≈20% as compared to the purely hydrodynamic case.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Finite-difference multiple fluid solution for source-driven rotation in highly magnetized linear plasma device

The rotation profile of a magnetized plasma cylinder composed of multiple fluids is investigated analytically, expanding on previous results. The analytic steady-state solution is used as a benchmark for a time-dependent multiple-fluid finite-difference code, MITNS: Multiple-Ion Transport Numerical Solver. Magnetic field evolution is taken into account, both analytically and numerically. Its details are shown to be of importance when particles are allowed out of the domain. MITNS reproduces the asymptotic expansion results for a small parameter $δ<<<1$. For $\sqrt{m_elm_i} ~ δ << 1$ , a slightly different regime, dominated by viscosity-induced transport of ions, is found numerically and analytically. Finally, this verification supports the use of this code for more complex time-dependent calculations in the future. Additionally, we derive the angular velocity profile of each species due to radial particle and charge fluxes of various strengths.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Filamentary surface plasma discharge flow length and time scales

Nanosecond surface dielectric barrier discharges (ns-SDBDs) are a class of plasma actuators that utilize a high-voltage pulse of nanosecond duration between two surface-mounted electrodes to create an electrical breakdown of air, along with rapid heating. These actuators usually produce multiple filaments when operated at high pulse frequencies, and the rapid heating leads to the formation of shock waves and complex flow fields. In this work we replicate a single filament of the ns-SDBDs and characterize the induced flow using velocity measurements from particle image velocimetry and density measurements from background-oriented schlieren. The discharge is produced by a high voltage electrical pulse between two copper electrodes on an acrylic base. A hot gas kernel characterizes the flow field formed close to the electrodes that expands and cools over time and a vortex ring that propagates away from the surface while entraining cold ambient fluid. The gas density deficit inside the kernel displays a power-law decay over time. Based on the observations, we develop a simplified theoretical model based on vortex-driven cooling and perform a scaling analysis to obtain the induced flow length and time scales. The results show that the cooling process's time scales correspond to a circulation-based time scale of the vortex ring, and the length scale of the kernel corresponds to the vortex ring radius. Furthermore, these findings can guide the choice of optimal filament spacing and pulse frequencies in the design, deployment, and operation of ns-SDBDs for flow control.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Asc-Seurat: analytical single-cell Seurat-based web application

Abstract Background Single-cell RNA sequencing (scRNA-seq) has revolutionized the study of transcriptomes, arising as a powerful tool for discovering and characterizing cell types and their developmental trajectories. However, scRNA-seq analysis is complex, requiring a continuous, iterative process to refine the data and uncover relevant biological information. A diversity of tools has been developed to address the multiple aspects of scRNA-seq data analysis. However, an easy-to-use web application capable of conducting all critical steps of scRNA-seq data analysis is still lacking. Summary We present Asc-Seurat, a feature-rich workbench, providing an user-friendly and easy-to-install web application encapsulating tools for an all-encompassing and fluid scRNA-seq data analysis. Asc-Seurat implements functions from the Seurat package for quality control, clustering, and genes differential expression. In addition, Asc-Seurat provides a pseudotime module containing dozens of models for the trajectory inference and a functional annotation module that allows recovering gene annotation and detecting gene ontology enriched terms. We showcase Asc-Seurat’s capabilities by analyzing a peripheral blood mononuclear cell dataset. Conclusions Asc-Seurat is a comprehensive workbench providing an accessible graphical interface for scRNA-seq analysis by biologists. Asc-Seurat significantly reduces the time and effort required to analyze and interpret the information in scRNA-seq datasets.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Microgap breakdown with floating metal rod perturbations

Here, we report the characterization of microgap breakdown with perturbations from a metal rod floating between anode and cathode electrodes. The effects of the metal rod on the electric field distribution and the field enhancement factor are evaluated by numerical simulation and the conformal mapping method, and they indicate that the field emission regime is not reached. The breakdown voltages in the Townsend discharge regime are determined based on the voltage–current characteristics, which are obtained from two-dimensional fluid simulations. It is found that the breakdown characteristics can be significantly modulated by the floating metal rod, and the breakdown curve (breakdown voltage vs the net gap distance) is no longer U-shaped, which deviates from the conventional Paschen's law. The underlying physical mechanisms are related to the electric field enhancement, curved breakdown path, and nonuniform ion flux caused by the electric shielding effect. The results provide insights into breakdown characteristics in microscale discharges, which may promote conventional investigation of simplified clean gaps toward more complex conditions (e.g., with floating microparticles) in miniaturized plasma devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Elastomeric nematic colloids, colloidal crystals and microstructures with complex topology

Control of physical behaviors of nematic colloids and colloidal crystals has been demonstrated by tuning particle shape, topology, chirality and surface charging. However, the capability of altering physical behaviors of such soft matter systems by changing particle shape and the ensuing responses to external stimuli has remained elusive. We fabricated genus-one nematic elastomeric colloidal ring-shaped particles and various microstructures using two-photon photopolymerization. Nematic ordering within both the nano-printed particle and the surrounding medium leads to anisotropic responses and actuation when heated. With the thermal control, elastomeric microstructures are capable of changing from genus-one to genus-zero surface topology. Using these particles as building blocks, we investigated elastomeric colloidal crystals immersed within a liquid crystal fluid, which exhibit crystallographic symmetry transformations. Furthermore, our findings may lead to colloidal crystals responsive to a large variety of external stimuli, including electric fields and light. Pre-designed response of elastomeric nematic colloids, including changes of colloidal surface topology and lattice symmetry, are of interest for both fundamental research and applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Performance Evaluation of Heterogeneous GPU Programming Frameworks for Hemodynamic Simulations

Preparing for the deployment of large scientific and engineering codes on upcoming exascale systems with GPU-dense nodes is made challenging by the unprecedented diversity of device architectures and heterogeneous programming models. In this work, we evaluate the process of porting a massively parallel, fluid dynamics code written in CUDA to SYCL, HIP, and Kokkos with a range of backends, using a combination of automated tools and manual tuning. We use a proxy application along with a custom performance model to inform the results and identify additional optimization strategies. At scale performance of the programming model implementations are evaluated on pre-production GPU node architectures for Frontier and Aurora, as well as on current NVIDIA device-based systems Summit and Polaris. Real-world workloads representing 3D blood flow calculations in complex vasculature are assessed. Our analysis highlights critical trade-offs between code performance, portability, and development time.

Martin, Aristotle↗
DOE OSTI2025

Multi-physics Topology OPtimization and Additive Manufacturing for High-temperature Heat Exchangers

This research significantly advances the understanding of high-temperature heat exchanger design through an integrated approach that combines topology optimization (TO), triply periodic minimal surface (TPMS) structures, additive manufacturing (AM) and thermohydraulic testing. Each of these components contributes uniquely to a unified, high-performance design, fabrication and testing workflow. Topology optimization serves as the foundation of the design methodology by providing a systematic way to determine the most effective material layout for separating hot and cold fluids while maximizing thermal performance. The researchers introduced a novel three-material optimization framework using two density fields to represent hot fluid, cold fluid, and solid domains. This approach enables automated discovery of optimal shapes and flow paths that cannot be intuitively designed, especially under constraints imposed by manufacturing technologies. Furthermore, constraints such as minimal wall thickness and overhang angles were embedded into the optimization process, ensuring that resulting designs are not only thermally efficient but also manufacturable using modern additive techniques. In parallel, the study delves into the use of Gyroid-based TPMS geometries for constructing the core of the heat exchanger. TPMS structures are known for their high surface area, excellent fluid mixing capabilities, and minimal pressure drop characteristics. The researchers applied a data-driven modeling framework using Heteroscedastic Sparse Gaussian Process Regression (HSGPR) combined with genetic algorithms. This allowed for the rapid evaluation and optimization of key geometric parameters such as frequency, iso-value, and phase shift. The result was a set of Gyroid structures tailored for high heat transfer and low flow resistance, demonstrating clear improvements over conventional straight-channel designs. After the designing process, additive manufacturing played a critical role by turning these highly complex, optimized geometries into physical components. Utilizing Laser Powder Bed Fusion (LPBF) with Haynes 282, the study demonstrated the feasibility of fabricating these heat exchangers at high precision. Post-processing methods, including dilation-erosion operations, were applied to ensure local features adhered to self-supporting constraints. The fabricated structures were then subjected to thermohydraulic testing under conditions representative of supercritical CO 2 Brayton cycles, validating the predicted performance and confirming the viability of the full design-to-fabrication pipeline. Finally, thermohydraulic testing across the above studies served as a crucial experimental validation of advanced heat exchanger. Under consistent high-temperature and high-pressure conditions using supercritical CO 2 , the testing demonstrated that both TO and Gyroid-based TPMS designs significantly outperformed conventional straight-channel HXs. The TO design achieved a 115% increase in UA and NTU and a 27.6% boost in gravimetric power density, while the data-driven optimized Gyroid design delivered a 166% increase in UA and NTU and improved effectiveness from 68.7% to 86.1%. These results validate the simulation models, confirm the manufacturability of complex geometries under AM constraints, and provide key insights into design-performance trade-offs, thereby advancing the development of high-efficiency, compact heat exchangers for extreme environments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

PFLOTRAN-SIP: A PFLOTRAN Module for Simulating Spectral-Induced Polarization of Electrical Impedance Data

Spectral induced polarization (SIP) is a non-intrusive geophysical method that collects chargeability information (the ability of a material to retain charge) in the time domain or its phase shift in the frequency domain. Although SIP is a temporal method, it cannot measure the dynamics of flow and solute/species transport in the subsurface over long times (i.e., 10–100 s of years). Data collected with the SIP technique need to be coupled with fluid flow and reactive-transport models in order to capture long-term dynamics. To address this challenge, PFLOTRAN-SIP was built to couple SIP data to fluid flow and solute transport processes. Specifically, this framework couples the subsurface flow and transport simulator PFLOTRAN and geoelectrical simulator E4D without sacrificing computational performance. PFLOTRAN solves the coupled flow and solute-transport process models in order to estimate solute concentrations, which were used in Archie’s model to compute bulk electrical conductivities at near-zero frequency. These bulk electrical conductivities were modified while using the Cole–Cole model to account for frequency dependence. Using the estimated frequency-dependent bulk conductivities, E4D simulated the real and complex electrical potential signals for selected frequencies for SIP. These frequency-dependent bulk conductivities contain information that is relevant to geochemical changes in the system. This study demonstrated that the PFLOTRAN-SIP framework is able to detect the presence of a tracer in the subsurface. SIP offers a significant benefit over ERT in the form of greater information content. It provided multiple datasets at different frequencies that better constrained the tracer distribution in the subsurface. Consequently, this framework allows for practitioners of environmental hydrogeophysics and biogeophysics to monitor the subsurface with improved resolution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The Impact of Naphthenic Acids on Dynamic Fluid–Fluid Interactions: Implication for Enhanced Oil Recovery

Previous coreflooding results and wettability analyses in our group show that injection of naphthenic-acid-enriched water can improve oil recovery over traditional waterflooding. This observation is still a subject of research efforts without a definitive explanation. Naphthenic acids (NA) have been reported to drive wettability alteration and increase the water–oil interface elasticity. These alterations depend on the NA carbon number and aqueous-phase salinity, among other conditions, as reported in the literature. Smart-water flooding (SWF) research often links recovery to the initial wettability condition, being higher for initially oil-wet rock. SWF refers to a technique in which the aqueous-phase ion composition or/and salinity are changed to maximize oil recovery. Given NAs’ complex solution behavior, selecting acid combinations that prompt oil recovery is a difficult objective. The aim of this research is to determine the effects of select naphthenic acids on the oil–water interfacial rheology and wettability alteration and how these interfacial effects are associated with oil recovery under spontaneous imbibition. NAs were selected based on their carbon number, molecular structure, and solubility in the saline solution used in this research. We aimed at exploring which NAs should be used to regulate interfacial properties so as to either increase oil recovery or accelerate production. Time-domain nuclear magnetic resonance, interfacial dilatational rheology, and liquid-bridge experiments, i.e., proxy of snap-off, were conducted. A baseline was established using results obtained with a previously tested sulfate-rich aqueous phase, shown to be effective in recovering oil. Results show that NA14 and N18 increase the water–oil interfacial viscoelasticity and induce interfacial healing but led to different recovery factors. N10, while effective at inducing water wetness in oil-wet rock, is ineffective at increasing the recovery factor. We concluded that wettability and oil–water interfacial rheology are not exclusive, and instead they can synergistically favor EOR benefits. Moreover, oil recovery benefits under spontaneous imbibition are shown to depend strongly on the initial wettability conditions.

Medina-Rodriguez, Bryan X. (ORCID:0000000262922831↗
DOE OSTI2025

Design and Analysis of an Integrated Additively Manufactured Test Article for Plasma-Facing Components

Current plasma-facing components (PFCs) used in helium-cooled divertor modules are complex structures with tungsten tile, steel sleeve components, and cartridges, all assembled in a helium-cooled multiple jet (HEMJ) structure. The goal of this project is to simplify the complex PFC design using additive manufacturing techniques to create a single integrated tungsten test article. Apart from the flexibility this opens up in exploring a wide array of geometries for the article, having a single integrated article significantly reduces the number of joints and parts in the article, thus reducing chances of leaks. A process called electron beam melting has shown to produce very high-density samples and unique geometries, enabling HEMJ or similar designs. To validate and optimize this novel design, the model underwent a series of computational fluid dynamics and finite element analysis simulations to replicate steady-state heat flux in the divertors. The simulations presented in this study consider a steady-state base heat flux of 5 MW/m 2 , with water serving as the coolant. Future research will explore the use of helium as a coolant, simulate edge-localized-mode conditions, and include experimental validation. Since 3D-printed tungsten is anisotropic, the build direction versus build plane of the article are taken into consideration for the test article strength. Because of the high operating temperatures and low ductility of tungsten, thermal creep and brittle fracture are important failure mechanisms to consider. In conclusion, the cap is evaluated with various flow velocities and nozzle diameters, and an optimal design choice is made for which this cap will survive the divertor conditions with a conservative safety margin.

Divertor↗
DOE OSTI2024

Quarterly Research Performance Progress Report (Q8)

As part of Task 1, we have started by testing our modeling capabilities by reproducing isothermal DFIT simulations presented in the literature. Once satisfied with the results we have started by targeting the modeling of the DFITs at conducted at well 58-32. We have a identified a specific test (cycle 4 in zone 2) as the most interesting to be model with GEOS hydraulic fracturing module. Thus, we have first produced results with an isothermal model and adjusted model parameters to get a satisfying match with field pressure data. The, we have added thermal effects and compared the modeling results with and without thermal effects to estimate how thermal effects may influence test interpretation. Models seem to suggest that, for small volumes of fluid, thermal effects are moderate. In Task 2, we have adapted GEOS phase-field formulation to be able to simulate near-wellbore hydraulic fracture nucleation and propagation. We have devised a novel formulation that, compared to other existing ones, incorporates rock strengths. We have submitted a journal publication about our work. We are currently employing this phase-field formulation to model the experiments taking place at U Pitt and help us understand the effect of various parameters. In Task 3, we have built a model of the region surround well 16A and have started modeling stage 3 stimulation because of its simpler planar geometry. After calibrating simulation parameters using known analytical solutions, we have simulated the stage 3 stimulation using our isothermal hydraulic fracturing module, varying the permeability field, the stress conditions including different physics to get a better understanding of the numerical challenges and of the effects of varying these parameters on the simulation results. In Task 4 laboratory experimentation, a set of specialized drilling and injection tools has been customized and constructed to accommodate an inclined well with an orientation of up to 30 degrees relative to material anisotropy or principal stress axes. These inclined samples have also undergone thermal stress and hydraulic fracturing at a temperature of 190 degrees Celsius. Furthermore, both vertical and deviated sampling testing setups enable an extended analysis of post-peak pressure behaviors, facilitating post-test pressure analyses such as the G-function, step rate, and fracture reopening measurements. Thus, the key components of in-situ stress estimation can be extracted and validated through our experiment, providing a solid foundation for validating existing in-situ stress estimation theories or proposing new ones. Simultaneously, we are integrating computer vision techniques with traditional experimental fracture observation methods such as multi-overcore/slicing and water-penetration fracture observation. This combination will prove beneficial in populating the hydraulic fracture patterns database, generated under challenging EGS conditions. This approach aims to deepen our understanding of the complexities in EGS reservoirs and pave the way for future data-driven investigations. Additionally, PITT has also equipped the ELE International compression machine, which is now prepared for conducting indirect tensile and fracture toughness tests. These tests will aid in characterizing how rock fabrics influence the resulting fracture patterns. Additionally, we have completed the required personnel training and gained access to Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) for conducting more detailed characterization and analysis of rock fabrics, as well as the examination of thermal and hydraulically induced fracture patterns. Thus, the PITT team has effectively demonstrated the capabilities of our experimental apparatuses in exploring the thermal effects, well deviation angles, material anisotropy, and operational choices (such as circulation rate, injection fluid viscosity, and injection rate) and their impact on pressure responses and fracture trajectories under the Utah FORGE conditions.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

A data-driven approach to modeling cancer cell mechanics during microcirculatory transport

In order to understand the effect of cellular level features on the transport of circulating cancer cells in the microcirculation, there has been an increasing reliance on high-resolution in silico models. Accurate simulation of cancer cells flowing with blood cells requires resolving cellular-scale interactions in 3D, which is a significant computational undertaking warranting a cancer cell model that is both computationally efficient yet sufficiently complex to capture relevant behavior. Given that the characteristics of metastatic spread are known to depend on cancer type, it is crucial to account for mechanistic behavior representative of a specific cancer’s cells. To address this gap, in the present work we develop and validate a means by which an efficient and popular membrane model-based approach can be used to simulate deformable cancer cells and reproduce experimental data from specific cell lines. Here, cells are modeled using the immersed boundary method (IBM) within a lattice Boltzmann method (LBM) fluid solver, and the finite element method (FEM) is used to model cell membrane resistance to deformation. Through detailed comparisons with experiments, we (i) validate this model to represent cancer cells undergoing large deformation, (ii) outline a systematic approach to parameterize different cell lines to optimally fit experimental data over a range of deformations, and (iii) provide new insight into nucleated vs. non-nucleated cell models and their ability to match experiments. While many works have used the membrane-model based method employed here to model generic cancer cells, no quantitative comparisons with experiments exist in the literature for specific cell lines undergoing large deformation. Here, we describe a phenomenological, data-driven approach that can not only yield good agreement for large deformations, but explicitly detail how it can be used to represent different cancer cell lines. This model is readily incorporated into cell-resolved hemodynamic transport simulations, and thus offers significant potential to complement experiments towards providing new insights into various aspects of cancer progression.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Robust Solution Verification Experiments on Nonuniform Meshes

The activities of verification, validation, and uncertainty quantification (VVUQ) provide a comprehensive means to assess the credibility of computational models. Within VVUQ, solution verification assesses numerical errors and evaluates whether the simulation is sufficiently accurate for its intended applications. As computational modeling gains traction in the development of complex, high-consequence systems, the need for robust solution verification intensifies, particularly because experimental data for these systems are often limited. This work examines improvements in the robustness of Richardson extrapolation (RE), a method commonly used in solution verification to study the discretization error of computational models using a power law. Nonuniform mesh refinement is discussed alongside other pollutants that affect the robustness of the power law model. Maximum likelihood estimation (MLE) is proposed as a robust strategy to address the uncertainty generated by nonuniform mesh refinement. An exploratory computational fluid dynamics (CFD) study of a 2D planar Poiseuille flow is conducted to determine if nonuniform mesh noise can be modeled with this MLE approach for more robust RE.

Weinmeister, Justin [ORNL] (ORCID:0000000160090237↗