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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

EFRC-MUSE: Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials

Phase interactions and fluid properties in geological and other environments are critical in applications ranging from hydrogen production and geologic storage and recovery, carbon dioxide storage and sequestration, and the sustainable use of water resources. The four goals of EFRC-MUSE: Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials were based on the priority directions articulated in the Basic Research Needs documents, and the scientific needs in nanoscience. 1. Develop a fundamental understanding of confinement and surface interactions in mesoscale media with nanometer-sized pores on the phase behavior, thermodynamic and multiphase flow properties of multicomponent fluid mixtures. 2. Examine the impact of mineralogy and material heterogeneity on mechanical properties to better understand chemo-mechanical interactions in material failure. 3. Determine in-operando cross-scale structural and nanostructural material properties with fluids in confinement and flow under realistic condi

58 GEOSCIENCES↗
DOE OSTI2025

Wellbore Fracture Imaging Using Inflow Detection Measurements

One of the most striking measurements taken during DOE’s EGS Collab project at the 4850-foot depth location was the so-called ‘sewer cam’, which enabled direct visualization of the flow of water into the production well through fractures during the stimulation. The ability to see directly which fractures were flowing and (roughly) how much was a breakthrough in understanding the topology of the created fracture network. Achieving this kind of fracture flow imaging at FORGE would be more challenging because of the 225°C temperature, but equally or even more valuable if it could be achieved. In 2017, a joint project between Sandia and Stanford developed a downhole tool concept to measure the enthalpy of multiphase fluid entering a geothermal well from individual fractures (Gao et al., 2017). For the FORGE project, measuring enthalpy is of less interest because the fluid is expected to be single-phase liquid water. However, the foundation of the device was the measurement of chloride ion concentration, which could form the basis for a direct measurement of inflow from fractures. During the 2017 project, this novel chloride sensing system was implemented into a laboratory test instrument, and we confirmed the capability of the system to measure the ion concentration of fluid entering a model wellbore through a small entry port. The wellbore was a 6-inch diameter model well, and the port was approximately 0.08 inch (2mm) in diameter. The device could measure the chloride concentration accurately even when the well was flowing in a bubbly flow. Given its accuracy, the tool should be able to identify locations of water entering the wellbore even if the ion concentration differs only slightly from that of the water in the well. It is likely that different fractures may flow slightly different chloride concentrations, which would make it feasible to detect individual fractures as well as to estimate the volume of their flow. Ultimately, we could also recognize different fractures flowing back significantly different ion concentrations after fracturing in the FORGE wells. This could be realized by adding different ions in the fracturing fluids in different fractures created at different stages of stimulation (and modifying the tool to include different ion specificity). Sandia’s tool was shown during the study to have the capability to withstand the 225°C temperature, and the electrochemical sensing elements were tested in the laboratory to 225°C at 1500 psia for 24 hours. An early implementation of the fully integrated downhole electrochemical tool, including high-temperature electronics, robust housing, and wireline truck interface, had previously been constructed and tested successfully at Sandia; thus, hardware development tasks focused on advancing the technology readiness level (TRL) of this promising technology for FORGE deployment, rather than on developing a new scientific basis for its operation. The data collection electronics in this tool allowed for several other sensors (pressure, temperature, flow spinner) to be implemented in parallel as well. The research was a new collaboration between Stanford and Sandia to modify and refine the tool for FORGE deployment, to make the downhole measurements, and to characterize the evolving fractures.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Using AMReX's Embedded Boundaries to Support MFIX-Exa’s Geometry Capabilities

MFIX-Exa is an AMReX-based application used for the simulation of chemically reacting multiphase flows inside reactors. The reactor geometry is mostly a combination of primitive shapes such as cylinders, cubes and spheres of varying dimensions connected together with potentially a lot of dead space between them. Additionally, the reactors may have particle-laden jets introduced at different parts of their geometry to enhance reactant mixing. This talk presents how MFIX-Exa uses OpenSCAD’s csg format to allow users to define the embedded boundary (EB) geometry and how it supports specifying inflow through certain sections of the EB. The talk will describe how MFIX-Exa leverages the EB features of grid-pruning, restart files and redistribution. Finally, the talk goes over some capabilities which are currently not available in MFIX-Exa but planned for the future, such as moving parts of the reactor geometry.

embedded boundaries↗
DOE OSTI2025

Multiscale modeling and laser diagnostics to reveal non-equilibrium reaction chemistry at a plasma-liquid interface

Low-temperature, atmospheric-pressure plasmas in contact with liquid are at the core of a wide range of applications including water treatment, medicine, materials synthesis, and chemical transformation. In general, plasma-liquid processes are scientifically compelling because reactivity can be produced without a catalyst, in relatively inert molecules, such as air or nitrogen and liquid water, in their native states at ambient conditions. However, reactions at a plasma-liquid interface are extremely complex, occurring at a multiphase, gas-liquid boundary where excited or dissociate gaseous species dissolve and react with solution-phase species, and unique reaction pathways are induced by non-equilibrium chemistry. In particular, detailed knowledge of the physical and chemical processes, including what species are produced in the gas phase and how these species are subsequently transported across and react near the interfacial region, remains largely unanswered. In this project, modeling of the non-equilibrium reaction chemistry at the interface of low-temperature, atmospheric-pressure plasmas and liquid water is developed, supported by advanced laser diagnostics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Ab initio equation of state for vanadium

Accurate materials’ equations of state (EOS) are essential for understanding materials properties as well as for use in multiphysics simulations. In particular, hydrodynamics simulations are based on three fundamental conservation laws (mass, momentum and energy) that form an under-determined system of equations. The equation of state serves as an additional closure relation between thermodynamic variables for a given material that enables numerical hydrodynamics simulation. In this report, we focus on the development of an ab initio EOS for the body centered cubic (BCC) phase of Vanadium (V) for eventual integration into a multiphase EOS in the OpenSesame EOS database.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Time-, space-, and molecule-resolved multiple plasma reactive species in complex settings using an innovative approach of cavity ringdown spectroscopy (Project Final Report)

The primary research goal of this 2-year project is to demonstrate the feasibility of an innovative approach to measure reactive plasma species in the most challenging settings: right on the surface of water and under water. We propose to use the Brewster angle-cavity ringdown spextroscopy (BA-CRDS). Research objectives include: 1) Measurements of OH and NO in the plasma gas-phase zone (Z1) using different types of LTP sources including continuous and pulsed plasma jets, sheets, torches, etc. 2) Measurements of OH and NO in the multiphase reaction zones, right on the surface of water (Z2) and under water (Z3). 3) RS formation and loss mechanisms and reaction dynamics in the three zones. 4) Generalization of the proposed system to be configurable with other selected innovative techniques for other LTP parameters; invitation of selected PIs to form a strong collaborative team to pursue the follow-up effort (Category-2).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Assessment and Improvement Proposals for High-Pressure Rinsing Processes during Cleanroom Preparation of Superconducting Radio-Frequency Cavities for Particle Accelerators

The goal of this internship is to develop a fluid dynamics characterization of the high-pressure flow used for cleaning the internal surface of the SRF cavities. Initially, the High Pressure Rinsing (HPR) process is introduced, focusing on the problems of the SRF cavities and how this method can be used to increase their acceleration efficiency and performance. The characterization of the problem is then presented, including an introduction to the multiphase flow modeling and the analysis of the Fermilab facility for the HPR. To accomplish the goal, a preliminary estimation of the variables was performed using MATLAB. Then, multiple 2D simulations were developed with Ansys Fluent, and the influence of the main parameter was investigated. The simulation results are then presented and analysed, with a focus on the possible future developments of the HPR process fluid dynamic characterization.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Two-Way Coupled CFD/DEM Simulation of Electromagnetic Heating in a Fluidized Bed Reactor

A set of tools has been developed to couple a multiphase reacting computational fluid dynamics solver (MFIX) with two computational electromagnetic solvers (COMSOL and Elmer). In contrast to several recent investigations, which calculate a single static EM field prior to the CFD calculation, in the present work the electromagnetic field is periodically updated during the simulation. This enables the EM field and associated EM heating predictions to reflect the effects of evolving material properties (temperature, composition, size etc.) and the evolving distribution of material in the system. The present work uses effective medium theory (EMT) for the electromagnetic field calculations since the goal is to apply the tool for industrial scale reacting systems. Predictions using MFIX/COMSOL and MFIX/Elmer are compared to in bed thermocouple measurements from a fluidized bed experiment and recent simulation predictions and recent experiments performed at NETL. The NETL experiments also include packed bed operating conditions. Coupled MFIX/COMSOL simulations at these conditions are compared with similar simulations using only COMSOL to measure errors due to the solver coupling approach.

CFD↗
DOE OSTI2026

Onset of Fluidization in MP-PIC Simulations using MFIX-Exa

Fluidized bed reactors are used across a variety of industries, including for energy processes like pyrolysis that result in low-cost energy products. Design and scale-up of fluidized beds is de-risked by modeling and simulation, utilizing tools like NETL’s MFIX-Exa High-Performance Computing (HPC) code for reacting multiphase flow. This report summarizes an investigation into the breadth of problems to which MFIX-Exa may be applied, specifically with regard to low fluid velocities and the onset of fluidization. A simple fluidization study is conducted both experimentally and numerically for particles of interest, then reactor simulations are compared to cold flow experiments for uniform distributor plates. Approaches for modeling bubble caps are also presented.

discrete particle method↗
DOE OSTI2026

SAM Code Enhancements for Fission Product Tracking of Noble Gases and Metals in MSRs

This report documents fiscal year 2026 enhancements to the System Analysis Module (SAM) for modeling fission product transport in liquid-fueled molten salt reactors (MSRs). The work advances three principal areas: noble gas transport, noble metal deposition, and user interface improvements. The noble gas transport capability integrates drift-flux gas transport, Henry’s law two-film interphase mass transfer with pressure-based nucleation suppression, Knudsen-regime pore diffusion into porous graphite with a conjugate salt-graphite interface constraint, built-in material properties, five Sherwood-number mass transfer correlations including three derived from high-fidelity NekRS simulations, and xenon-135 reactivity feedback through SAM’s point-kinetics model. This work also presents a comprehensive verification test suite, including new analytically verified cases for pressure-dependent onset of interphase gas transfer in a stagnant vertical pipe, a postulated FLiBe-graphite Xe extraction permeator, a gravity riser with a fission-product source, and a descending pipe with gas redissolution driven by hydrostatic pressure. A machine learning framework for bubble rise velocity prediction in molten salt systems is developed and benchmarked on molten-salt and diverse aqueous bubble datasets. The best-performing fine-tuned transfer-learning networks achieve an 82% reduction in RMSE relative to the Clift correlation, and is implemented directly in SAM. The noble metal transport capability is developed, including a liquid-wall deposition model and a gas-surface flotation mechanism that transfers insoluble particles entrained by sparging gas to wetted structures. Verification tests and demonstration cases cover the surface deposition, flotation efflux, and flotation shedding. Finally, a new [SpeciesTransport] input structure replaces positional global vectors with selfcontained, order-independent, named species blocks, simplifies the specification of multiphase species and decay chains, and remains fully compatible with existing SAM input files. Together, these developments improve the physical fidelity, verification basis, and usability of SAM for system-level analyses of fissionproduct behavior in MSRs.

Mui, Travis (ORCID:0000000303736470)↗
DOE OSTI1989

Nuclear Safety [Vol. 30, No. 3, July-September 1989]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 325 Safety of Framatome Advanced Nuclear Steam Supply Systems Designs by J. A. Charles and D. Lange, 333 Book Review of Nuclear Accidents: Intervention Levels for the Protection of the Public by H. B. Piper; ACCIDENT ANALYSIS: 335 Living PRA Computer Systems by S. C. Dinsmore and H.-P. Balfanz, 343 Summary of ICAP Assessments of RELAP5/MOD2 by W. E. Driskell and R. G. Hanson; CONTROL AND INSTRUMENTATION: 352 Thermal Performance Monitoring System at Maanshan Nuclear Power Plant by H.-J. Chao, Y.-P. Lin, G.-H. Jou, L.-Y. Liao, and Y.-B. Chen; DESIGN FEATURES: 358 Warning Systems for Nuclear Power Plant Emergencies by J. H. Sorensen and D. S. Mileti; WASTE AND SPENT FUEL MANAGEMENT: 371 Activities Related to Waste Management Compiled by E G. Silver; OPERATING EXPERIENCES: 382 Steam Generator Tube Performance: Experience with Water-Cooled Nuclear Power Reactors During 1985 by O. S. Tatone and R. L. Tapping, 400 Systems Interaction Analyses: Concepts and Techniques (Part II) by M. D. Muhlheim and G. A. Murphy, 413 Reactor Shutdown Experience Compiled by J. W. Cletcher, 416 Operating U.S. Power Reactors Compiled by E G. Silver; RECENT DEVELOPMENTS: 440 General Administrative Activities Compiled by E G. Silver, 460 Reports, Standards, and Safety Guides by D. S. Queener, 466 Status of Power-Reactor Licensing Activities Compiled by E G. Silver, 470 Proposed Rule Changes as of Mar. 31, 1989; ANNOUNCEMENTS: 334 Proceedings Published, 351 CEC Seminar on Methods and Codes for Assessing the Off-Site Consequences of Nuclear Accidents, 357 Short Course on Multiphase Flow and Heat Transfer: Bases and Applications in A: The Nuclear Power Industry B: The Process Industries, 357 International Conference on Probabilistic Safety Assessment and Management, 478 International Topical Meeting on the Safety, Status, and Future of Non-Commercial Reactors and Irradiation Facilities, 475 The Authors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Surface Structure of Reacting Solid Ramjet Fuels

Solid fuel ramjets are a developing technology that will enable extended range for supersonic vehicles. The simplicity of the system in terms of moving parts results in the performance being dictated by the solid fuel combustion processes. The physics near the surface, particularly in the fuel-rich recirculation zone, are challenging to resolve due to flow opacity. Here, regression rate measurements of hydroxyl-terminated polybutadiene from a miniature, portable slab burner are reported. Mass-averaged regression rates agree with correlations from the literature, suggesting that the proper physics in the burner are captured. Synchrotron-based phase-contrast imaging is used to quantify local surface features, including a multiphase froth layer, molten polymer transport, and local regression rate measurements in the recirculation zone. Regression rates near the inlet are less than the mass-averaged values, whereas near the reattachment point the local value exceeds the mass-averaged values. Further, the observed froth layer is as large as 2 mm near the inlet and decreases to sub-millimeter thicknesses near the reattachment point. An analytical heat transfer model is used to quantify the influence of the surface froth layer on the regression rates. Results indicate that the froth layer has an insulating effect and will reduce the local regression rate.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Microstructure-Dependent Rate Theory Model of Radiation-Induced Segregation in Binary Alloys

Conventional rate theory often uses the mean field concept to describe the effect of inhomogeneous microstructures on the evolution of radiation induced defect and solute/fission product segregation. However, the spatial and temporal evolution of defects and solutes determines the formation and spatial distribution of radiation-induced second phase such as precipitates and gas bubbles/voids, especially in materials with complicated microstructures and subject to high dose radiation. In this work, a microstructure-dependent model of radiation-induced segregation (RIS) has been developed to investigate the effect of inhomogeneous thermodynamic and kinetics properties of defects on diffusion and accumulations of solute A in AB binary alloys. Four independent concentrations: atom A, interstitial A, interstitial B, and vacancy on [A, B] sublattice are used as field variables to describe temporal and spatial distribution and evolution of defects and solute A. The independent concentrations of interstitial A and interstitial B allow to describe their different generation rates, thermodynamic and kinetic properties, and release the assumptions of interstitial generation and sink strength used in the conventional rate theory. Microstructure and concentration dependent chemical potentials of defects are used to calculate the driving forces of defect diffusions. With the model, the effects of defect chemical potentials and mobilities on the RIS in polycrystalline AB model alloys have been simulated. The results demonstrated the model capability in predicting defect evolution in materials with inhomogeneous thermodynamic and kinetic properties of defects. The model can be extended to materials with complicated microstructures such as a wide range of grain size distribution, coating structure and multiphases as well as radiation-induced precipitation subject to severe radiation damage.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unveiling the Essential Parameters Driving Mineral Reactions during CO2 Storage in Carbonate Aquifers through Proxy Models

Numerical simulation is a commonly employed technique for studying carbon dioxide (CO2) storage processes in porous media, particularly saline aquifers. It enables the representation of diverse trapping mechanisms and the assessment of CO2 retention capacity within the subsurface. The intricate physicochemical phenomena involved necessitate the incorporation of multiphase flow, accurate depiction of fluid and rock properties, and their interactions. Among these factors, geochemical reaction rates and mechanisms are pivotal for successful CO2 trapping in carbonate reactive rocks. However, research on kinetic parameters and the influence of lithology on CO2 storage remains limited. This limitation is partly due to the challenges faced in laboratory experiments, where the time scale of the reactions and the lack of in situ conditions hinder accurate measurement of mineral reaction rates. This study employs proxy models constructed using response surfaces calibrated with simulation results to address uncertainties associated with geochemical reactions. Monte Carlo simulation is utilized to explore a broader range of parameters and identify influential factors affecting CO2 mineralization. The findings indicate that an open database containing kinetic parameters can support uncertainty assessment. Additionally, the proxy models effectively represent objective functions related to CO2 injectivity and mineralization, with calcite dissolution playing a predominant role. pH, calcite concentration, and CO2 injection rate significantly impact dolomite precipitation, while quartz content remains unaffected.

58 GEOSCIENCES↗
DOE OSTI2021

Practical CO2—WAG Field Operational Designs Using Hybrid Numerical-Machine-Learning Approaches

Machine-learning technologies have exhibited robust competences in solving many petroleum engineering problems. The accurate predictivity and fast computational speed enable a large volume of time-consuming engineering processes such as history-matching and field development optimization. The Southwest Regional Partnership on Carbon Sequestration (SWP) project desires rigorous history-matching and multi-objective optimization processes, which fits the superiorities of the machine-learning approaches. Although the machine-learning proxy models are trained and validated before imposing to solve practical problems, the error margin would essentially introduce uncertainties to the results. In this paper, a hybrid numerical machine-learning workflow solving various optimization problems is presented. By coupling the expert machine-learning proxies with a global optimizer, the workflow successfully solves the history-matching and CO2 water alternative gas (WAG) design problem with low computational overheads. The history-matching work considers the heterogeneities of multiphase relative characteristics, and the CO2-WAG injection design takes multiple techno-economic objective functions into accounts. This work trained an expert response surface, a support vector machine, and a multi-layer neural network as proxy models to effectively learn the high-dimensional nonlinear data structure. The proposed workflow suggests revisiting the high-fidelity numerical simulator for validation purposes. The experience gained from this work would provide valuable guiding insights to similar CO2 enhanced oil recovery (EOR) projects.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Saturation Carrying Capacity for Group A Particles in a Circulating Fluidized Bed

Empirical models continue to play a significant role in the design process of multiphase chemical reactors, particularly riser reactors in circulating fluidized bed (CFB) processes. It is imperative that accurate, industrial relevant correlations are developed to aid these design efforts. Using poor correlations could result in startup issues and significant redesign work. In this work, a new correlation is proposed to predict the saturation carrying capacity of Geldart Group A particles. This new correlation improves upon the currently available correlations for these materials and covers a broad range of Geldart Group A particles (particle diameters from 52 to 70 µm, and Archimedes numbers ranging from 5 to 20), superficial gas velocities (1 to 4 m/s), and riser diameters (0.066 to 0.3048 m). The new correlation has an Absolute Average Percent Deviation of only 17.6%, making it the most accurate correlation for Geldart Group A particles in the current literature.

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

Vadose Zone Transport of Tritium and Nitrate under Ponded Water Conditions

Vadose zone transport of tritium and nitrate can be important considerations at radioactive waste sites, landfills, or areas with industrial impacts. These contaminants are of particular concern because they typically have a relatively higher mobility in the subsurface compared to other compounds. Here, we describe a semiarid site with tritium and nitrate contamination involving a manmade ponded water source above a thick unsaturated zone at Los Alamos National Laboratory in New Mexico, USA. This study demonstrates the value of vadose zone flow and transport modeling for the development of field investigation plans (i.e., identifying optimal borehole locations and depths for contaminant characterization), and how a combination of modeling with isotope and geochemical measurements can provide insight into how tritium and nitrate transport in the vadose zone in semiarid environments. Modeling results suggest that at this location, tritium transport is well predicted by classical multiphase theory. Our work expands the demonstrated usefulness of a standard tritium conceptual model to sites with ponded surface conditions and agrees with previous results where a standard model was able to explain the evolution of a tritium plume at an arid waste disposal site. In addition, depth-based analyses of δ 18 O and δ 2 H of pore waters helped confirm the extent of pond infiltration into the vadose zone, and the δ 15 N of nitrate showed that the contaminant release history of the site was different than originally assumed.

58 GEOSCIENCES↗
DOE OSTI2020

Fractionation of Lignin for Selective Shape Memory Effects at Elevated Temperatures

We report a facile approach to control the shape memory effects and thermomechanical characteristics of a lignin-based multiphase polymer. Solvent fractionation of a syringylpropane-rich technical organosolv lignin resulted in selective lignin structures having excellent thermal stability coupled with high stiffness and melt-flow resistance. The fractionated lignins were reacted with rubber in melt-phase to form partially networked elastomer enabling selective programmability of the material shape either at 70 °C, a temperature that is high enough for rubbery matrix materials, or at an extremely high temperature, 150 °C. Utilizing appropriate functionalities in fractionated lignins, tunable shape fixity with high strain and stress recovery, particularly high-stress tolerance were maintained. Detailed studies of lignin structures and chemistries were correlated to molecular rigidity, morphology, and stress relaxation, as well as shape memory effects of the materials. The fractionation of lignin enabled enrichment of specific lignin properties for efficient shape memory effects that broaden the materials’ application window. Electron microscopy, melt-rheology, dynamic mechanical analysis and ultra-small angle neutron scattering were conducted to establish morphology of acrylonitrile butadiene rubber (NBR)-lignin elastomers from solvent fractionated lignins.

36 MATERIALS SCIENCE↗