Results for “Reactive Flow” — Page 46

DOE OSTI2025

SAS4A/SASSYS-1 Validation with FFTF Tests

The FFTF liquid sodium cooled test reactor was built to assist the development and testing of advanced fuels and material for fast reactors. The goals of the FFTF Passive Safety Testing program included confirming the safety margins of FFTF as a liquid metal reactor, providing data for computer code validation, and demonstrating the inherent and passive safety benefits of its specific design features. The program included thirteen unprotected loss of flow without scram tests. In preparation for the Passive Safety Testing program, a series of individual reactivity feedback tests were performed which were designed to simulate and validate specific features and reactivity feedbacks of the FFTF core.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Bulk Power System Flow Control

On July 28, 2023, the Federal Energy Regulatory Commission (FERC) issued Order Number 2023, targeting an improved generation-interconnection process in the United States. FERC Order No. 2023 requires transmission providers to evaluate transmission technologies, other than network expansion, that could provide system improvements and help expand bulk-power system capacity. Transmission providers must consider technologies that would fall under the category of Grid Enhancing Technologies (GETs), which provide capacity-expansion options other than conventional transmission expansion.

32 - ENERGY CONSERVATION, CONSUMPTION, AND UTILIZA↗

NASA NTRS1975

Finite-rate chemistry effects upon convective and radiative heating of an atmospheric entry vehicle

A mathematical model of the aerothermochemical environment along the stagnation line of a planetary return spacecraft using an ablative thermal protection system was developed and solved for conditions typical of atmospheric entry from planetary missions. The model, implemented as a FORTRAN 4 computer program, was designed to predict viscous, reactive and radiative coupled shock layer structure and the resulting body heating rates. The analysis includes flow field coupling with the ablator surface, binary diffusion, coupled line and continuum radiative and equilibrium or finite rate chemistry effects. The gas model used includes thermodynamic, transport, kinetic and radiative properties of air and ablation product species, including 19 chemical species and 16 chemical reactions. Specifically, the impact of nonequilibrium chemistry effects upon stagnation line shock layer structure and body heating rates was investigated.

Guillermo, P.↗

DOE OSTI2022

Probing multiscale dissolution dynamics in natural rocks through microfluidics and compositional analysis

Mineral dissolution significantly impacts many geological systems. Carbon released by diagenesis, carbon sequestration, and acid injection are examples where geochemical reactions, fluid flow, and solute transport are strongly coupled. The complexity in these systems involves interplay between various mechanisms that operate at timescales ranging from microseconds to years. Current experimental techniques characterize dissolution processes using static images that are acquired with long measurement times and/or low spatial resolution. These limitations prevent direct observation of how dissolution reactions progress within an intact rock with spatially heterogeneous mineralogy and morphology. We utilize microfluidic cells embedded with thin rock samples to visualize dissolution with significant temporal resolution (100 ms) in a large observation window (3 × 3 mm). Here we injected acidic fluid into eight shale samples ranging from 8 to 86 wt % carbonate. The pre- and postreaction microstructures are characterized at the scale of pores (0.1 to 1 µm) and fractures (1 to 1,000 µm). We observe that nonreactive particle exposure, fracture morphology, and loss of rock strength are strongly dependent on both the relative volume of reactive grains and their distribution. Time-resolved images of the rock unveil the spatiotemporal dynamics of dissolution, including two-phase flow effects in real time and illustrate the changes in the fracture interface across the range of compositions. Moreover, the dynamical data provide an approach for characterizing reactivity parameters of natural heterogeneous samples when porous media effects are not negligible. The platform and workflow provide real-time characterization of geochemical reactions and inform various subsurface engineering processes.

58 GEOSCIENCES↗

DOE OSTI2014

Hydrodeoxygenation of HMF over Pt/C in a continuous flow reactor

The three‐phase hydrodeoxygenation reaction of 5‐hydroxymethylfurfural (HMF) with H 2 was studied over a 10 wt % Pt/C catalyst using both batch and flow reactors, with ethanol, 1‐propanol, and toluene solvents. The reaction is shown to be sequential, with HMF reacting first to furfuryl ethers and other partially hydrogenated products. These intermediate products then form dimethyl furan (DMF), which in turn reacts further to undesired products. Furfuryl ethers were found to react to DMF much faster than HMF, explaining the higher reactivity of HMF when alcohol solvents were used. With the optimal residence time, it was possible to achieve yields approaching 70% in the flow reactor with the Pt/C catalyst. Much higher selectivities and yields were obtained in the flow reactor than in the batch reactor because side products are formed sequentially, rather than in parallel, demonstrating the importance of choosing the correct type of reactor in catalyst screening. © 2014 American Institute of Chemical Engineers AIChE J , 61: 590–597, 2015

Luo, Jing↗

NASA NTRSDate not supplied

ARCTRON: A Rapid Experimental Proving Ground for TPS Experiments and Arcjet Technology Development

Innovation in high-enthalpy facilities is fundamentally limited by the cost and risk of experimentation. New concepts for plasma control, diagnostics, facility components, and plasma-material interaction often require repeated iterations that are impractical to perform in production arcjets. As a result, promising ideas may remain unexplored or reach operational facilities only after significant development effort. ARCTRON is being developed as a rapid experimental proving ground where new ideas in plasma science, arcjet engineering, diagnostics, and material response can be conceived, tested, and quantitatively evaluated before transition to large-scale facilities. The platform combines radio-frequency (RF) and DC arc plasma generation, externally applied magnetic fields, configurable gas composition, reduced-pressure operation, laser heating, electrical biasing, and modular diagnostic access. These capabilities permit the plasma source, applied forcing, test article, and measurement configuration to be modified independently, allowing individual physical mechanisms to be isolated more readily than in a traditional test environment. One class of investigations addresses fundamental plasma-surface interaction physics. Conventional material tests often expose a specimen simultaneously to convective heating, reactive species, pressure, shear, radiation, and surface-current effects. The resulting material response may be measured accurately, while the contribution of each mechanism remains difficult to identify. ARCTRON is designed to vary these effects selectively. Plasma chemistry can be changed independently through configurable gas mixtures; magnetic fields and electrical biasing can modify charged-particle transport; laser heating can provide a non-plasma thermal input; and pressure, flow, and discharge mode can be varied over a broad operating space. This enables controlled tests of hypotheses involving surface catalycity, reactive-species transport, plasma-assisted oxidation, electromagnetic effects, shear, and the relative contributions of thermal and chemical loading. A second class of investigations enabled by this approach concerns the engineering of high-enthalpy facilities themselves. Arc-heated facilities are limited by electrode erosion, unstable arc attachment, localized heating, and damage to nozzles and other plasma-facing components. ARCTRON provides a lower-cost environment for testing concepts intended to mitigate these limitations. Candidate investigations include the use of applied magnetic fields to alter current paths and reduce plasma interaction with nozzle walls, ExB forcing to introduce controlled plasma rotation, magnetic or geometric approaches for distributing arc attachment, and alternative electrode or discharge configurations intended to reduce erosion and improve stability. Because the platform is reconfigurable, these concepts can be evaluated through repeated design--build--test cycles before they are considered for implementation in operational facilities. The platform also supports the development and validation of diagnostics that may be difficult to introduce initially into a large arcjet. Current and planned measurements include spatially resolved optical emission spectroscopy, electrostatic probes, fast imaging, pyrometry, calorimetry, laser-induced fluorescence, and absorption spectroscopy. These diagnostics are intended not merely to document a nominal operating condition, but to constrain the local plasma state and its relationship to component or material response. The modular facility geometry allows diagnostic concepts to be tested, calibrated, and compared under repeatable conditions before deployment in more demanding environments. ARCTRON is also supported by an integrated software suite. Automated control and data acquisition allow discharge parameters, gas composition, magnetic fields, diagnostic timing, and test configuration to be recorded as part of each experiment (STARDAC - Software for Testing, Analysis, Research Data, and Control). The Backend for Experiment Analysis, Storage, and Traceability (BEAST) is a database that provides the infrastructure needed to associate heterogeneous measurements with facility configuration, specimen identity, calibration state, geometry, and analysis provenance. This backend is particularly important for exploratory campaigns, in which many related configurations may be tested, and the value of an individual experiment depends on its connection to earlier and subsequent iterations. Complementary analysis capabilities, including computer-vision-based transient response measurements (arcjetCV), three-dimensional surface reconstruction (STARSCAN), and model-based Bayesian inference (SHIELD), and tomography data analysis (TOMATO, PuMA) can be incorporated when required by a specific hypothesis without becoming the focus of every campaign. The central objective of ARCTRON is therefore not to maximize heat flux or reproduce a complete flight environment. Its purpose is to reduce the cost and time required to ask consequential questions about plasma behavior, plasma-facing materials, diagnostics, and arcjet technology. By providing a controlled environment for rapid reconfiguration, mechanism isolation, quantitative measurement, and iterative engineering, ARCTRON can help mature concepts that would otherwise remain too speculative or too risky for evaluation in production facilities. The resulting knowledge can then guide the design of material models, focus test objectives in larger arcjets, reduce facility-development risk, and improve the physical basis of high-enthalpy ground testing. This work will present the ARCTRON architecture, operating modes, diagnostic suite, and digital experimental workflow. Initial experimental results from the first integrated operation of the facility will be presented, including flow characterization, power limitations, and deployment of the initial diagnostic suite. Ongoing development efforts aimed at catalycity characterization, magnetic plasma control, and advanced optical diagnostics will also be discussed, illustrating how the platform supports rapid iteration from concept to experiment.

experimental diagnostics↗

NASA NTRSDate not supplied

ARCTRON: A Rapid Experimental Proving Ground for TPS Experiments and Arcjet Technology Development

Innovation in high-enthalpy facilities is fundamentally limited by the cost and risk of experimentation. New concepts for plasma control, diagnostics, facility components, and plasma-material interaction often require repeated iterations that are impractical to perform in production arcjets. As a result, promising ideas may remain unexplored or reach operational facilities only after significant development effort. ARCTRON is being developed as a rapid experimental proving ground where new ideas in plasma science, arcjet engineering, diagnostics, and material response can be conceived, tested, and quantitatively evaluated before transition to large-scale facilities. The platform combines radio-frequency (RF) and DC arc plasma generation, externally applied magnetic fields, configurable gas composition, reduced-pressure operation, laser heating, electrical biasing, and modular diagnostic access. These capabilities permit the plasma source, applied forcing, test article, and measurement configuration to be modified independently, allowing individual physical mechanisms to be isolated more readily than in a traditional test environment. One class of investigations addresses fundamental plasma-surface interaction physics. Conventional material tests often expose a specimen simultaneously to convective heating, reactive species, pressure, shear, radiation, and surface-current effects. The resulting material response may be measured accurately, while the contribution of each mechanism remains difficult to identify. ARCTRON is designed to vary these effects selectively. Plasma chemistry can be changed independently through configurable gas mixtures; magnetic fields and electrical biasing can modify charged-particle transport; laser heating can provide a non-plasma thermal input; and pressure, flow, and discharge mode can be varied over a broad operating space. This enables controlled tests of hypotheses involving surface catalycity, reactive-species transport, plasma-assisted oxidation, electromagnetic effects, shear, and the relative contributions of thermal and chemical loading. A second class of investigations enabled by this approach concerns the engineering of high-enthalpy facilities themselves. Arc-heated facilities are limited by electrode erosion, unstable arc attachment, localized heating, and damage to nozzles and other plasma-facing components. ARCTRON provides a lower-cost environment for testing concepts intended to mitigate these limitations. Candidate investigations include the use of applied magnetic fields to alter current paths and reduce plasma interaction with nozzle walls, ExB forcing to introduce controlled plasma rotation, magnetic or geometric approaches for distributing arc attachment, and alternative electrode or discharge configurations intended to reduce erosion and improve stability. Because the platform is reconfigurable, these concepts can be evaluated through repeated design--build--test cycles before they are considered for implementation in operational facilities. The platform also supports the development and validation of diagnostics that may be difficult to introduce initially into a large arcjet. Current and planned measurements include spatially resolved optical emission spectroscopy, electrostatic probes, fast imaging, pyrometry, calorimetry, laser-induced fluorescence, and absorption spectroscopy. These diagnostics are intended not merely to document a nominal operating condition, but to constrain the local plasma state and its relationship to component or material response. The modular facility geometry allows diagnostic concepts to be tested, calibrated, and compared under repeatable conditions before deployment in more demanding environments. ARCTRON is also supported by an integrated software suite. Automated control and data acquisition allow discharge parameters, gas composition, magnetic fields, diagnostic timing, and test configuration to be recorded as part of each experiment (STARDAC - Software for Testing, Analysis, Research Data, and Control). The Backend for Experiment Analysis, Storage, and Traceability (BEAST) is a database that provides the infrastructure needed to associate heterogeneous measurements with facility configuration, specimen identity, calibration state, geometry, and analysis provenance. This backend is particularly important for exploratory campaigns, in which many related configurations may be tested, and the value of an individual experiment depends on its connection to earlier and subsequent iterations. Complementary analysis capabilities, including computer-vision-based transient response measurements (arcjetCV), three-dimensional surface reconstruction (STARSCAN), and model-based Bayesian inference (SHIELD), and tomography data analysis (TOMATO, PuMA) can be incorporated when required by a specific hypothesis without becoming the focus of every campaign. The central objective of ARCTRON is therefore not to maximize heat flux or reproduce a complete flight environment. Its purpose is to reduce the cost and time required to ask consequential questions about plasma behavior, plasma-facing materials, diagnostics, and arcjet technology. By providing a controlled environment for rapid reconfiguration, mechanism isolation, quantitative measurement, and iterative engineering, ARCTRON can help mature concepts that would otherwise remain too speculative or too risky for evaluation in production facilities. The resulting knowledge can then guide the design of material models, focus test objectives in larger arcjets, reduce facility-development risk, and improve the physical basis of high-enthalpy ground testing. This work will present the ARCTRON architecture, operating modes, diagnostic suite, and digital experimental workflow. Initial experimental results from the first integrated operation of the facility will be presented, including flow characterization, power limitations, and deployment of the initial diagnostic suite. Ongoing development efforts aimed at catalycity characterization, magnetic plasma control, and advanced optical diagnostics will also be discussed, illustrating how the platform supports rapid iteration from concept to experiment.

experimental diagnostics↗

DOE OSTI2019

Comparison of steady and transient flow boiling critical heat flux for FeCrAl accident tolerant fuel cladding alloy, Zircaloy, and Inconel

Steady and transient (with a heating rate of 685?/s) internal-flow CHF (Critical Heat Flux) experiments were conducted under atmospheric pressure at a fixed inlet temperature (40? or 60?) and mass flow (300kg/m 2 s) on Fe-13Cr-6Al alloy, Inconel 600 and Zircaloy-4 tube samples. Multiple experiments were repeated on the same specimen to investigate the effect of surface characteristic changes (i.e., roughness, wettability, and oxide scale morphology) on the occurrence of CHF. Despite notable changes of wettability, roughness, and oxide layer characteristics on samples that had already been subjected to CHF, measured flow CHF remained unchanged throughout repeated experiments for tested materials. This demonstrates that the surface effects on flow CHF are limited in the test conditions. In the steady-state flow boiling condition, Fe-13Cr-6Al alloy demonstrated a 22% and 14% increase in CHF compared to Zircaloy-4 and Inconel 600, respectively. Compared to the 2006 Groeneveld CHF lookup table, Fe-13Cr-6Al alloy gives a 13% increase in the tested flow boiling condition. Material properties are considered primarily responsible for the observed CHF differences among the tested materials. The surface thermal economy parameter $\frac{(pc_p)^{3/2}}{\sqrt{k}}$ is proposed as an explanation for the observed CHF differences; this parameter is related to material’s ability to avoid an irreversible dry spot formation. The apparent disagreement of Zircaloy-4 CHF with both the look up table predictions and Inconel 600 shows the limitation of departure of nuclate boiling (DNB) evaluations that do not consider cladding materials. The transient Fe-13Cr-6Al CHF is 39% and 23% higher than the lookup table prediction and the steady-state condition experimental result, respectively.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Experimental study on the guillotine break accident of the main steam line with Atlas

A main steam line break (MSLB) accident is defined as a pipe break in the main steam system of a nuclear power plant. The MSLB accident is characterized as cool-down event due to the increased steam flow rate, which causes excessive energy removal from the steam generators and eventually reactor coolant system. This results in a decrease in reactor coolant temperature. The cool-down causes an increase in core reactivity due to the negative moderator and Doppler reactivity coefficients. The thermalhydraulic integral effect test was performed to simulate a double-ended guillotine break accident of the main steam line of a pressurized water reactor. With an aim of simulating the MSLB accident as realistically as possible, a pertinent scaling approach was taken, especially focusing on a break flow. The main objectives of this test were not only to provide physical insight into the system response of a nuclear power plant during the MSLB accident but also to produce an integral effect test data to validate the safety analysis codes. In the present test, asymmetric thermal-hydraulic behavior was clearly observed between the loops. In the cold leg-1A and -1B where the affected steam generator is connected, the flow rates were higher and the fluid temperatures were lower than those in the cold leg-2A and -2B. This could be attributed to the excessive heat removal in the cold leg-1A and -1B through the affected steam generator. This integral effect test data will be used to evaluate the prediction capability of existing safety analysis codes. Furthermore, this data can be utilized to identify any code deficiency for a MSLB simulation, especially for DVI-adapted plants. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1995

Operating capability and current status of the reactivated NASA Lewis Research Center Hypersonic Tunnel Facility

The NASA Lewis Research Center's Hypersonic Tunnel Facility (HTF) is a free-jet, blowdown propulsion test facility that can simulate up to Mach-7 flight conditions with true air composition. Mach-5, -6, and -7 nozzles, each with a 42 inch exit diameter, are available. Previously obtained calibration data indicate that the test flow uniformity of the HTF is good. The facility, without modifications, can accommodate models approximately 10 feet long. The test gas is heated using a graphite core induction heater that generates a nonvitiated flow. The combination of clean-air, large-scale, and Mach-7 capabilities is unique to the HTF and enables an accurate propulsion performance determination. The reactivation of the HTF, in progress since 1990, includes refurbishing the graphite heater, the steam generation plant, the gaseous oxygen system, and all control systems. All systems were checked out and recertified, and environmental systems were upgraded to meet current standards. The data systems were also upgraded to current standards and a communication link with NASA-wide computers was added. In May 1994, the reactivation was complete, and an integrated systems test was conducted to verify facility operability. This paper describes the reactivation, the facility status, the operating capabilities, and specific applications of the HTF.

Thomas, Scott R.↗

NASA NTRS1995

Operating capability and current status of the reactivated NASA Lewis Research Center hypersonic tunnel facility

The NASA Lewis Research Center's Hypersonic Tunnel Facility (HTF) is a free-jet, blowdown propulsion test facility that can simulate up to Mach-7 flight conditions with true air composition. Mach-5, -6, and -7 nozzles, each with a 42-in. exit diameter, are available. Previously obtained calibration data indicate that the test flow uniformity of the HTF is good. The facility, without modifications, can accomodate models approximately 10 ft long. The test gas is heated using a graphite core induction heater that generates a nonvitiated flow. The combination of clean-air, large-scale, and Mach-7 capabilities is unique to the HTF and enables an accurate propulsion performance determination. The reactivation of the HTF, in progress since 1990, includes refurbishing the graphite heater, the steam generation plant, the gaseous oxygen system, and all control systems. All systems were checked out and recertified, and environmental systems were upgraded to meet current standards. The data systems were also upgraded to current standards and a communication link with NASA-wide computers was added. In May 1994, the reactivation was complete, and an integrated systems test was conducted to verify facility operability. This paper describes the reactivation activities, the facility status, the operating capabilities, and specific applications of the HTF.

Thomas, S.↗

DOE OSTI2016

Evaluation of mineral reactive surface area estimates for prediction of reactivity of a multi-mineral sediment

Our limited understanding of mineral reactive surface area contributes to significant uncertainties in quantitative simulations of reactive chemical transport in subsurface processes. Continuum formulations for reactive transport typically use a number of different approximations for reactive surface area, including geometric, specific, and effective surface area. In this work, reactive surface area estimates are developed and evaluated for their ability to predict dissolution rates in a well-stirred flow-through reactor experiment using disaggregated samples from the Nagaoka pilot CO 2 injection site (Japan). The disaggregated samples are reacted with CO 2 acidified synthetic brine under conditions approximating the field conditions and the evolution of solute concentrations in the reactor effluent is tracked over time. The experiments, carried out in fluid-dominated conditions at a pH of 3.2 for 650 h, resulted in substantial dissolution of the sample and release of a disproportionately large fraction of the divalent cations. Traditional reactive surface area estimation methods, including an adjusted geometric surface area and a BET-based surface area, are compared to a newly developed image-based method. Continuum reactive transport modeling is used to determine which of the reactive surface area models provides the best match with the effluent chemistry from the well-stirred reactor. The modeling incorporates laboratory derived mineral dissolution rates reported in the literature and the initial modal mineralogy of the Nagaoka sediment was determined from scanning electron microscopy (SEM) characterization. The closest match with the observed steady-state effluent concentrations was obtained using specific surface area estimates from the image-based approach supplemented by literature-derived BET measurements. To capture the evolving effluent chemistry, particularly over the first 300 h of the experiment, it was also necessary to account for the grain size distribution in the sediment and the presence of a highly reactive volcanic glass phase that shows preferential cation leaching.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1977

An experimental study of reactive turbulent mixing

An experimental study of two coaxial gas streams, which react very rapidly, was performed to investigate the mixing characteristics of turbulent flow fields. The center stream consisted of a CO-N2 mixture and the outer annular stream consisted of air vitiated by H2 combustion. The streams were at equal velocity (50 m/sec) and temperature (1280 K). Turbulence measurements were obtained using hot film anemometry. A sampling probe was used to obtain time averaged gas compositions. Six different turbulence generators were placed in the annular passage to alter the flow field mixing characteristics. The turbulence generators affected the bulk mixing of the streams and the extent of CO conversion to different degrees. The effects can be related to the average eddy size (integral scale) and the bulk mixing. Higher extents of conversion of CO to CO2 were found be increasing the bulk mixing and decreasing the average eddy size.

Cooper, L. P.↗

DOE OSTI2018

Modeling the Long-Term Behavior of Cementitious Barriers - 18188

Cementitious materials are commonly included as backfill/barrier materials in geological repositories for radioactive waste. An understanding of the long-term behavior of cement-based barriers is therefore required to provide confidence in their safety functions within an environmental safety case. Geochemical modelling has been undertaken on several different radioactive waste repository concepts (and their natural/industrial analogues), to explore the nature of cement degradation over timescales relevant to postclosure safety (many tens of thousands of years to c. 1 Ma). In radionuclide transport calculations undertaken as part of performance assessments, it is typically considered that the properties of cementitious engineered barrier materials change as they degrade, potentially resulting in an increase in porosity hydraulic conductivity, and effective diffusion coefficients. However, reactive transport modelling (supported by some analogue data) suggests that, in some repository systems, a degree of clogging of the cement pore space could occur and that some advective flow paths (cracks in the barriers, fractures in the host rock) could become (to some extent) infilled by cement and rock alteration products. This could result in a reduction in water flow and contaminant transport in the vicinity of the cement-rock interface, but some uncertainties remain (especially process couplings and the nature of water flow in complex fracture networks that are becoming clogged). In addition, the armoring of fracture surfaces could result in decreased potential for diffusion of solutes into the rock matrix. It is envisaged that ongoing work will continue to improve reactive-transport model capabilities, such that the implications cement degradation has for contaminant transport can be predicted with greater confidence. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2026

Stochastic fracture generation and thermo-hydro-mechanical modeling in an equivalent continuum framework for enhanced geothermal systems

Enhanced geothermal systems (EGS) involve fracturing low permeability material to establish well connectivity and then injecting and circulating fluid into the fractured subsurface for geothermal power production. Changes in fracture aperture from contraction of the cooling matrix rock may alter network connectivity and risk thermal short-circuiting. Thermo-hydro-mechanical (THM) models are a useful tool to study these processes. However, as fracture networks are complex, and data may be limited, fracture networks in THM models are often stochastically generated. Given reliance on stochastic fracture networks and THM modeling to represent the subsurface and assess productivity of EGS, increased understanding of the influence of such statistically derived fracture networks on flow and heat transport in THM models is needed. Here, a new fracture process model is developed in the reactive transport code PFLOTRAN to stochastically generate fracture families and simulate changes in fracture aperture over time due to temperature changes of the rock matrix. Sixty-four different fracture networks ranging from well to poorly-connected, are modeled in PFLOTRAN with and without mechanical processes (THM vs TH). Results indicate that for well-connected fracture networks, thermal short-circuiting is less of a concern due to the abundance of available alternative flowpaths. For poorly-connected fracture networks, inclusion of mechanical processes showed steep thermal drawdown coincident with increase in fracture aperture along developing colder flowpaths, demonstrating the risk of thermal short-circuiting. Simulations with additional, larger fractures engineered to establish connectivity in a poorly-fractured subsurface, indicate that while stochastic variation of fracture orientation of the background network had limited influence, such variation in the engineered fractures significantly affected flow and heat transport.

Discrete fracture networks (DFN)↗

DOE OSTI2018

Seismicity and fault aseismic deformation caused by fluid injection in decametric in-situ experiments

Seismicity induced by fluid perturbations became an important societal concern since felt earthquakes ( M w up to 6) occurred after anthropogenic activities. In order to mitigate the risks associated with undesired seismicity, as well as to be able to use the micro-seismicity as a probe for in-depth investigation of fluid-driven processes, it is of crucial importance to understand the links between seismicity, fluid pressure and flow. We have developed a series of in-situ, decameter-scale experiments of fault zone reactivation by controlled fluid injection, in order to improve the near-source geophysical and hydromechanical observations. The deployed geophysical monitoring close to the injection allows one to cover the full frequency range of the fault responses from the static deformation to the very high-frequency seismic emissions (up to 4 kHz). Here, we focus on the microseismicity ( M w ~ –4 to –3) recorded during two fluid injection experiments in low-permeable shale and highly-fractured limestone formations. In both experiments, the spatio-temporal distribution of the seismic events, the energy balance, and the seismic velocity changes of the fractured medium show that most of the deformation does not actually emit seismic signals. The induced deformation is mainly aseismic. Based on these high-resolution multiparametric observations in the near-field, we therefore proposed a new model for injection-induced seismicity: the seismicity is not directly induced by the increasing fluid pressure, but it is rather triggered by the stress perturbations transferred from the aseismic motion caused by the injection.

58 GEOSCIENCES↗

DOE OSTI2025

Reactive Transport Modeling of Hydrogen Production from Serpentinization of Olivine

Hydrogen production from serpentinization of ultramafic rocks represents a promising natural pathway for generating carbon-free energy, yet its kinetics and controlling factors remain incompletely understood. A key challenge in advancing serpentinization research lies in the heterogeneity of porosity and permeability in rocks, which leads to nonuniform fluid velocity fields, as well as uncertainties in estimating reactive surface area and identifying appropriate mineral reaction equilibria. Additional complexities arise from the role of dissolved SiO 2 , Fe 2+ /Fe 3+ partitioning, and the limited effect of pH variations within the strongly alkaline regime on hydrogen yields. These challenges hinder straightforward extrapolation from laboratory tests to practical applications of hydrogen production from natural rocks. Here, in this work, we address these questions using a simulation-based reactive transport modeling framework calibrated against controlled laboratory experiments reported elsewhere. The model couples geochemical kinetics, multiphase flow, and mineralogical feedbacks, enabling systematic evaluation of how surface area, dissolved silica concentration, Fe redox state, temperature, and pressure govern serpentinization and H2 generation. We find that surface area exerts the strongest control on reaction rates and hydrogen yields, while Fe 2+ /Fe 3+ ratios act as secondary modulators. Elevated dissolved silica concentrations suppress hydrogen production but accelerate serpentine precipitation, whereas increasing pH beyond 12 within the strongly alkaline regime produces only marginal gains. Finally, we demonstrate that integrating targeted experiments with calibrated simulations offers a powerful and efficient approach for predicting hydrogen yields and assessing parameter trade-offs in industrial-scale applications. This integration can substantially reduce the experimental burden while improving predictive capability, thereby enhancing both the mechanistic understanding and the practical feasibility of hydrogen production from serpentinization.

08 HYDROGEN↗

DOE OSTI2025

A Reduced-Temperature Process for Preparing Atomically Clean Si(100) and SiGe(100) Surfaces with Vapor HF

Silicon processing techniques such as atomic precision advanced manufacturing (APAM) and epitaxial growth require surface preparations that activate oxide desorption (typically >1000 °C) and promote surface reconstruction toward atomically clean, flat, and ordered Si(100)-2 × 1. Here, in this study, we compare the aqueous and vapor phase cleaning of Si and Si/SiGe surfaces to prepare APAM-ready and epitaxy-ready surfaces at lower temperatures. Angle resolved X-ray photoelectron spectroscopy (ARXPS) and Fourier transform infrared (FTIR) spectroscopy indicate that vapor hydrogen fluoride (VHF) cleans dramatically reduce carbon surface contamination and allow the chemically prepared surface to reconstruct at lower temperatures, 600 °C for Si and 580 °C for a Si/Si 0.7 Ge 0.3 heterostructure, into an ordered atomic terrace structure indicated by scanning tunneling microscopy (STM). After thermal treatment and vacuum hydrogen termination, we demonstrate STM hydrogen desorption lithography (HDL) on VHF-treated Si samples, creating reactive zones that enable area-selective chemistry by using a thermal budget similar to CMOS process flows. We anticipate that these results will establish new pathways to integrate APAM with Si foundry processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗