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Reactive transport modeling for supporting climate resilience at groundwater contamination sites

Abstract. Climate resilience is an emerging issue at contaminated sites and hazardous waste sites, since projected climate shifts (e.g., increased/decreased precipitation) and extreme events (e.g., flooding, drought) could affect ongoing remediation or closure strategies. In this study, we develop a reactive transport model (Amanzi) for radionuclides (uranium, tritium, and others) and evaluate how different scenarios under climate change will influence the contaminant plume conditions and groundwater well concentrations. We demonstrate our approach using a two-dimensional (2D) reactive transport model for the Savannah River Site F-Area, including mineral reaction and sorption processes. Different recharge scenarios are considered by perturbing the infiltration rate from the base case as well as considering cap-failure and climate projection scenarios. We also evaluate the uranium and nitrate concentration ratios between scenarios and the base case to isolate the sorption effects with changing recharge rates. The modeling results indicate that the competing effects of dilution and remobilization significantly influence pH, thus changing the sorption of uranium. At the maximum concentration on the breakthrough curve, higher aqueous uranium concentration implies that sorption is reduced with lower pH due to remobilization. To better evaluate the climate change impacts in the future, we develop the workflow to include the downscaled CMIP5 (Coupled Model Intercomparison Project) climate projection data in the reactive transport model and evaluate how residual contamination evolves through 2100 under four climate Representative Concentration Pathway (RCP) scenarios. The integration of climate modeling data and hydrogeochemistry models enables us to quantify the climate change impacts, assess which impacts need to be planned for, and therefore assist climate resiliency efforts and help guide site management.

54 ENVIRONMENTAL SCIENCES↗

Contaminant Migration Modeling to Support the In Situ Decommissioning of Hardened Nuclear Facilities - 20215

The decommissioning of hardened nuclear facilities provides a unique challenge in balancing current worker dose with exposure to future receptors and media. In situ decommissioning (ISD) is a cost-effective and safe option for the closure of such facilities but requires a detailed understanding of the threat that radioactive and hazardous constituents remaining in the facilities pose to groundwater and surrounding surface water. The Savannah River Site (SRS) extensively employs contaminant migration models within the decommissioning process to develop site-specific removal, grouting, and monitoring strategies in support of safe and effective final end states of nuclear facilities. This work discusses the use of contaminant migration modeling in the ISD process at SRS, including specific examples from the closure of P-Reactor and R-Reactor, Building 235-F, F-Canyon and F/H Laboratory Complex. Migration models developed during the closure of P-Reactor and R-Reactor were divided into four source areas: the reactor vessel, the process area, the disassembly basin, and the purification wing. Each source area was assigned a specific inventory and migration pathway and was then subject to varying hypothetical removal, capping, and grouting schemes. Modeling indicated that groundwater Maximum Concentration Limits (MCLs) might be exceeded if no action was taken for eleven and ten constituents of concern (COCs) at P-Reactor and R-Reactor, respectively. These exceedances could occur in as few as 200 to 500 years. Alternatively, the migration modeling demonstrated that the selected ISD actions reduced contaminant mobility which allowed for significant radioactive decay and resulted in fewer predicted exceedances of groundwater MCLs (five COCs for P-Reactor; eight COCs for R-Reactor). In response to the modeling results for P-Reactor and R-Reactor, effectiveness monitoring programs were developed to target contaminants, specific to each reactor, that may migrate to groundwater. Contaminant migration modeling also revealed that roof collapse was a large factor in the release of COCs to the environment, giving rise to roof improvements, and an inspection and vegetation control program to ensure roof stability over time. Contaminant migration modeling is also aiding in the closure planning for hardened facilities in F Area. Building 235-F housed the Actinide Billet Line, which produced Np-237 billets for irradiation in SRS reactors, and the Plutonium Fuel Form (PuFF) facility that produced Pu-238 heat sources for the space program. As a result of these missions, areas within Building 235-F contain considerable residual amounts of both Pu-238 and Np-237. Contaminant migration modeling of Building 235-F was originally performed in 2012 to identify the feasibility of ISD and the amount of radioactive material removal required to prevent the exceedance of groundwater MCLs. The original model indicated that a 60% reduction in the PuFF facility Pu-238 inventory could keep groundwater concentrations below standards, while Np-237 did not pose a threat to groundwater. However, updates to the model with an emphasis on source impact pathways revealed that, due to the orientation of the source areas relative to groundwater flow, no amount of reasonable removal of Pu-238 would keep groundwater concentrations below MCLs and that Np-237 could be a large contributor to localized MCL exceedances. With this insight, the refined 2019 model is being used to assist in the development of grouting plans specific to each facility source area, where bentonite may be utilized to slow the migration of Pu-238 and its daughter products from the PuFF facility and a reducing grout may decrease Np-237 transport by ensuring the nuclide remains in the less mobile +IV oxidation state. The beginning phases of contaminant migration modeling are underway for F-Canyon and associated facilities using lessons learned from the Reactors and Building 235-F. A contaminant migration pathway, similar to the pathway used for the reactor vessels, is being developed for the hot and warm canyons. The F-Canyon inventories are being spatially refined to identify specific and localized source zones, comparable to Building 235-F, that may impact groundwater. Contaminant migration modeling provides vital input within the ISD process, from facility investigation to post closure effectiveness monitoring, making it a valuable tool in the development of safe and effective end states for hardened nuclear facilities at SRS. (authors)

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Effects of expansion ratio on the calculation of parallel-walled backward-facing step flows - Comparison of four models of turbulence

This paper presents a numerical study of the effects of expansion ratio on two-dimensional separating and reattaching flows in plane backward-facing step geometries with parallel walls. Closure of the Reynolds equations was achieved by four different turbulence models: k-epsilon, 'modified' k-epsilon, algebraic stress, and 'modified' algebraic stress models. The k-epsilon model relates the Reynolds stresses to the mean rate of strain through the definition of an isotropic turbulent viscosity. The more advanced algebraic stress model calculates the stresses from implicit algebraic relationships containing the stresses themselves, the mean rate of strain, and the turbulent kinetic energy and its dissipation rate. 'Modified' versions of the models employ a new dissipation rate equation whose production term was made more sensitive to streamwise curvature effects. A new nonequilibrium wall function treatment proposed by Chieng and Launder (1980) was also incorporated into each model.

Sindir, M. M.↗

Improving the modeling of near-wall interphase heat transfer in porous media models of Pebble Bed Reactors

Here, this work aims to improve capabilities for modeling localized effects in porous media models of Pebble Bed Reactors. The wall-channeling effect is the primary local phenomenon of interest in a PBR, where the presence of the reflector wall disrupts the pebble packing, causing the pebbles near the wall to pack less efficiently and creating large void regions. Accurate modeling of the near-wall region is important as it will affect core bypass flow and temperature predictions. Porous media models are commonly used for design scoping and plant-level simulations of PBRs. Although these models have some capabilities to model the near-wall region, the correlations that are available in porous media codes are often inaccurate when a multi-region model is used to discretize the near-wall region. This work employs a high-to-low analysis to study the accuracy of available interphase heat transfer closures. NekRS, a spectral element computational fluid dynamics code, is used to perform Large Eddy Simulations. These LES simulation results are compared to porous media model results from the Pronghorn porous media code. The friction term of the KTA drag closure is first improved, reducing the error in the prediction of the near-wall velocity from over 50% to less than 5%. This is combined with improvements to the form term from previous works to produce a drag closure that is capable of accurately modeling the wall-channeling effect across a variety of flow conditions. The Nusselt number predictions of several heat transfer correlations are compared to the high-fidelity results where it is found that the KTA heat transfer correlation is capable of accurately predicting the local Nusselt numbers that were determined in the high-fidelity simulation. Comparison of the radial solid temperature profiles, however, reveal discrepancies between NekRS and Pronghorn. It is discovered that the implementation of the interphase heat transfer coefficient that exists in many current porous media codes is not valid when local porosities are modeled. Instead, it is suggested that the interphase heat transfer coefficient should be dependent on the local porosity, the Nusselt number, and the local solid surface-to-volume ratio. Implementation of this change produces improvement in the agreement between the results obtained by NekRS and Pronghorn while using the KTA heat transfer correlation.

interphase heat transfer↗

Viscoelastic deformation near active plate boundaries

Model deformations near the active plate boundaries of Western North America using space-based geodetic measurements as constraints are discussed. The first six months of this project were spent gaining familarity with space-based measurements, accessing the Crustal Dynamics Data Information Computer, and building time independent deformation models. The initial goal was to see how well the simplest elastic models can reproduce very long base interferometry (VLBI) baseline data. From the Crustal Dynamics Data Information Service, a total of 18 VLBI baselines are available which have been surveyed on four or more occasions. These data were fed into weighted and unweighted inversions to obtain baseline closure rates. Four of the better quality lines are illustrated. The deformation model assumes that the observed baseline rates result from a combination of rigid plate tectonic motions plus a component resulting from elastic strain build up due to a failure of the plate boundary to slip at the full plate tectonic rate. The elastic deformation resulting from the locked plate boundary is meant to portray interseismic strain accumulation. During and shortly after a large interplate earthquake, these strains are largely released, and points near the fault which were previously retarded suddenly catch up to the positions predicted by rigid plate models. Researchers judge the quality of fit by the sum squares of weighted residuals, termed total variance. The observed baseline closures have a total variance of 99 (cm/y)squared. When the RM2 velocities are assumed to model the data, the total variance increases to 154 (cm/y)squared.

Ward, S. N.↗

Ecosystem age-class dynamics and distribution in the LPJ-wsl v2.0 global ecosystem model

Forest ecosystem processes follow classic responses with age, peaking production around canopy closure and declining thereafter. Although age dynamics might be more dominant in certain regions over others, demographic effects on net primary production (NPP) and heterotrophic respiration (Rh) are bound to exist. Yet, explicit representation of ecosystem demography is notably absent in many global ecosystem models. This is concerning because the global community relies on these models to regularly update our collective understanding of the global carbon cycle. This paper aims to present the technical developments of a computationally efficient approach for representing age-class dynamics within a global ecosystem model, the Lund–Potsdam–Jena – Wald, Schnee, Landschaft version 2.0 (LPJ-wsl v2.0) dynamic global vegetation model and to determine if explicit representation of demography influenced ecosystem stocks and fluxes at global scales or at the level of a grid cell. The modeled age classes are initially created by simulated fire and prescribed wood harvesting or abandonment of managed land, otherwise aging naturally until an additional disturbance is simulated or prescribed. In this paper, we show that the age module can capture classic demographic patterns in stem density and tree height compared to inventory data, and that simulated patterns of ecosystem function follow classic responses with age. We also present two scientific applications of the model to assess the modeled age-class distribution over time and to determine the demographic effect on ecosystem fluxes relative to climate. Simulations show that, between 1860 and 2016, zonal age distribution on Earth was driven predominately by fire, causing a 45- to 60-year difference in ages between older boreal (50–90° N) and younger tropical (23° S–23° N) ecosystems. Between simulation years 1860 and 2016, land-use change and land management were responsible for a decrease in zonal age by −6 years in boreal and by −21 years in both temperate (23–50° N) and tropical latitudes, with the anthropogenic effect on zonal age distribution increasing over time. A statistical model helped to reduce LPJ-wsl v2.0 complexity by predicting per-grid-cell annual NPP and Rh fluxes by three terms: precipitation, temperature, and age class; at global scales, R2 was between 0.95 and 0.98. As determined by the statistical model, the demographic effect on ecosystem function was often less than 0.10 kg C/sq. myr but as high as 0.60 kg C/sq. myr where the effect was greatest. In the eastern forests of North America, the simulated demographic effect was of similar magnitude, or greater than, the effects of climate; simulated demographic effects were similarly important in large regions of every vegetated continent. Simulated spatial datasets are provided for global ecosystem ages and the estimated coefficients for effects of precipitation, temperature and demography on ecosystem function. The discussion focuses on our finding of an increasing role of demography in the global carbon cycle, the effect of demography on relaxation times (resilience) following a disturbance event and its implications at global scales, and a finding of a 40 Pg C increase in biomass turnover when including age dynamics at global scales. Whereas time is the only mechanism that increases ecosystem age, any additional disturbance not explicitly modeled will decrease age. The LPJ-wsl v2.0 age module represents another step forward towards understanding the role of demography in global ecosystems.

LPJ-wsl↗

Effect of Anoxic Iron Corrosion on WIPP Brine Geochemistry FY23 Final Report (U)

A 280-day study was completed to evaluate the effect of zero-valent iron (Fe 0 ) on the Waste Isolation Pilot Plant (WIPP) brine geochemistry under anticipated reducing conditions. Hydrogen (H 2 ) gas is expected to be present in the repository after closure due to the anoxic corrosion of a vast quantity of iron contained in the waste forms disposed at WIPP; therefore, a background argon atmosphere containing H 2 was chosen for this study. WIPP groundwater brine pH and E h will impact the mobility and fate of plutonium within the repository. Modeling and laboratory results for Castile WIPP brine indicate that equilibrium fa values relative to the standard hydrogen electrode (SHE) are 40 mV more reducing (i.e., more negative) than those for Salado WIPP brine (-480 mV vs. -440 mV, respectively) because of the higher pH of the Castile brine (pH 9 .3 for Castile vs. pH 8.8 for Salado). The E h and pH data were corrected for the effects of high ionic strength. The experimental results for both brines are consistent with thermodynamic predictions using OLI Systems' Mixed Solvent Electrolyte chemical equilibrium model. The measured and corrected pH and E h data from this study are provided in Table ES-I and Table ES-2, respectively. The experimental study, with four test conditions in triplicate, was performed in a dual glovebox with a nominally 3 vol.% H 2 in argon atmosphere (target H 2 range: 3 ± I vol.%). Simulants containing MgO only ( experimental control) and MgO+Fe 0 (WIPP base case) were prepared for both the Salado and Castile brines. MgO was included in all simulants to account for the use of bulk magnesium oxide in the WIPP repository. Fe 0 was included in some simulants to incorporate the effects of the anoxic corrosion of iron and in-situ hydrogen generation in the study. The brine compositions were developed by Sandia National Laboratory (SNL; Xiong, 2008) and have been used in previous WIPP evaluations. The test method (agitation, etc.) is partially based on ASTM D3987-12. Twelve rounds of periodic measurements of pH and E h were performed over the course of the study. Chemical analysis results for liquids and solids (ICP-MS, ICP-ES, IC Anion, TIC, SEM-EDX) are consistent with the pH, E h , and thermodynamic modeling results. This study included the following conditions that deviate from anticipated post-closure conditions following brine intrusion, but were selected to facilitate bench-scale testing to validate modeling of pH and E h for the post-closure WIP P repository: an anoxic glove box atmosphere containing ≤ 4 vol. % H 2 vs. substantially higher H 2 gas concentrations assumed in the WIPP Performance Assessment (PA); a significantly higher liquid-to-solid test ratio compared to the much lower phase ratio anticipated in the WIP P repository; agitation of the simulant bottles to maximize mass transfer; and finally the use of Fe 0 reagents having a much greater surface area than expected in the WIP P repository. Non-representative conditions were chosen for various reasons such as: to provide bounding conservative results, to provide a margin of safety for testing, or to facilitate simulant sub-sampling and analysis. In a parallel effort, aqueous electrolyte thermodynamic models were developed for the synthetic Salado and Castile brines to inform the experimental design, facilitate laboratory data interpretation, and allow extension of evaluations beyond the parameters tested. Thermodynamic modeling simulations including the MgO and Fe 0 additives that are directly relevant to the experimental measurements (e.g., pH calibration curve, ORP corrections) are included in this report. The measured fa of the simulants was close to the OLI model predictions for both brines and was largely controlled by the background H 2 partial pressure in the vapor phase as well as H 2 generated in situ in the aqueous phase by the Fe 0 corrosion. The H 2 gas-phase concentration tested and thermodynamically evaluated was much lower than is assumed in the WIPP PA; however, H 2 (g) concentrations significantly below this level are still predicted to result in very reducing conditions. In conclusion: • The experimental results are consistent with thermodynamic model predictions for fa, pH, and the effects of high ionic strength. • Evidence to date suggests that the H2 concentration in the glovebox atmosphere ultimately determined the final E h values of the simulants and resulted in highly reducing conditions. As a result, little difference was observed between the control simulants containing only MgO and the WIPP base-case simulants that contained MgO and Fe 0 . • This test methodology is recommended for future studies evaluating WIPP repository conditions. The methodology includes: (1) background H 2 in argon with agitation ( or could alternatively include in-situ-generated H 2 in sealed bottles); (2) carefully measured and corrected ORP data ( with much effort focused on allowing the probes to fully stabilize); and (3) ionic-strength-corrected pH data. Other best practices, such as simulant sparging/handling, ORP probe replacement, etc., should also be considered. • The coupling of experimental studies and thermodynamic modeling is also highly recommended because these methods inform and direct one another leading to greater confidence in and understanding of the results.

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Characterization of Swirl-Venturi Lean Direct Injection Designs for Aviation Gas-Turbine Combustion

Injector geometry, physical mixing, chemical processes, and engine cycle conditions together govern performance, operability and emission characteristics of aviation gas-turbine combustion systems. The present investigation explores swirl-venturi lean direct injection combustor fundamentals, characterizing the influence of key geometric injector parameters on reacting flow physics and emission production trends. In this computational study, a design space exploration was performed using a parameterized swirl-venturi lean direct injector model. From the parametric geometry, 20 three-element lean direct injection combustor sectors were produced and simulated using steady-state, Reynolds-averaged Navier-Stokes reacting computations. Species concentrations were solved directly using a reduced 18-step reaction mechanism for Jet-A. Turbulence closure was obtained using a nonlinear κ-ε model. Results demonstrate sensitivities of the geometric perturbations on axially averaged flow field responses. Output variables include axial velocity, turbulent kinetic energy, static temperature, fuel patternation and minor species mass fractions. Significant trends have been reduced to surrogate model approximations, intended to guide future injector design trade studies and advance aviation gas-turbine combustion research.

Combustion Chamber↗

All-sky aerosol direct radiative effects at the ARM SGP site

All-sky aerosol direct radiative effect (DRE) was estimated for the first time at the Atmospheric Radiation Measurement Southern Great Plains site using multi-year ground-based observations. The NASA Langley Fu-Liou radiation model was employed. Observed inputs for the radiation model include aerosol and cloud vertical extinction profile from Raman lidar; spectral aerosol optical depth, single-scattering albedo, and asymmetry factor from Aerosol Robotic Network; cloud water content profiles from radars; temperature and water vapor profiles from radiosondes; and surface shortwave spectral albedo from radiometers. A cloudy-sky radiative closure experiment was performed. The relative mean differences between modeled and observed surface downwelling shortwave total fluxes were 6% (7%) for transparent (opaque) cloudy-skies. The estimated annual mean all-sky aerosol DRE is -2.13±0.54W m -2 at the top of atmosphere (TOA) and -5.95±0.87 W m -2 at the surface, compared to -3.00±0.58 W m -2 AND -6.85±1.00 W m -2 , respectively, under clear-sky conditions. The seasonal cycle of all-sky aerosol DRE is similar to that of the clear-sky, except with secondary influences of the clouds: The cloud radiative effect is strongest (most negative) in the spring, which reduces the all-sky aerosol DRE. The relative uncertainties in all-sky aerosol DRE due to measurement errors are generally comparable to those in clear-sky conditions except for the aerosol single-scattering albedo. Finally, the TOA all-sky aerosol DRE relative uncertainty due to aerosol single-scattering albedo uncertainty is larger than that in clear-sky, leading to a larger total relative uncertainty. The measurement errors in cloud properties have small effects on the all-sky aerosol DRE.

54 ENVIRONMENTAL SCIENCES↗

An elastic failure model of indentation damage

A mechanistically consistent model for indentation damage based on elastic failure at tensile or shear overloads, is proposed. The model accommodates arbitrary crack orientation, stress relaxation, reduction and recovery of stiffness due to crack opening and closure, and interfacial friction due to backward sliding of closed cracks. This elastic failure model was implemented by an axisymmetric finite element program which was used to simulate progressive damage in a silicon nitride plate indented by a tungsten carbide sphere. The predicted damage patterns and the permanent impression matched those observed experimentally. The validation of this elastic failure model shows that the plastic deformation postulated by others is not necessary to replicate the indentation damage of brittle structural ceramics.

Liaw, B. M.↗

Dynamical System Analysis of Reynolds Stress Closure Equations

In this paper, we establish the causality between the model coefficients in the standard pressure-strain correlation model and the predicted equilibrium states for homogeneous turbulence. We accomplish this by performing a comprehensive fixed point analysis of the modeled Reynolds stress and dissipation rate equations. The results from this analysis will be very useful for developing improved pressure-strain correlation models to yield observed equilibrium behavior.

Girimaji, Sharath S.↗

Modeling of compressible turbulent shear flows

Despite all the recent developments in computer technologies and numerical algorithms, full numerical simulations of turbulent flows are feasible only at moderate Reynolds numbers and for flows with relatively simple geometries. The main goal of this research is to develop new second order moment closures for compressible turbulence. It has been shown that the models based on the extension of those developed originally for incompressible flows fail to adequately predict turbulent flows at high Mach numbers. In this attempt, the compressibility effects are explicitly considered. A successful development of these models that directly takes into account the compressibility effects may have a range of technological implications in the design of supersonic and hypersonic vehicles.

Liou, William W.↗

Discrete anisotropic radiative transfer modelling of solar-induced chlorophyll fluorescence: Structural impacts in geometrically explicit vegetation canopies

Solar-induced fluorescence (SIF) is a subtle but informative optical signal of vegetation photosynthesis. Remotely sensed SIF integrates environmental, physiological and structural changes that alter photosynthesis at leaf, plant and canopy scales. Radiative transfer models are ideally suited to investigate the complex sources of variability in the SIF signal to guide the interpretation of SIF retrievals from airborne and space-borne platforms. Here, we coupled the Fluspect-Cx model of leaf optical properties and chlorophyll-a fluorescence with the Discrete Anisotropic Radiative Transfer (DART) model to upscale SIF from individual leaves to three-dimensional (3D) structurally explicit canopies. For one-dimensional homogeneous (turbid-like) canopies, DART-SIF was nearly identical to SIF simulated in two existing models, SCOPE and mSCOPE (RMSE <0.221 W./sq.m.μm.sr). DART simulations in geometrically explicit 3D canopies offered four important insights regarding the influence of vegetation structure on the multi-angular top-of-canopy SIF signal. First, changes in the 3D canopy architecture of maize crops, represented by leaf density (leaf area index), and plant clumping (canopy closure) had a larger impact on SIF than the modelled photosynthetic efficiency distinction between sun-adapted and shade-adapted foliage. Second, clumping of leaves at the crop and stand levels was identified as one of the key driving factors of multi-angular anisotropy of red and far-red SIF (686 and 740 nm) for both maize and eucalyptus canopies. Third, non-photosynthetic woody material had a significant impact on top-of-canopy SIF in modelled 3D forest stands. Wood shadowing decreased the photosynthetically active radiation absorbed by green leaves, and consequently the SIF emissions, by 10% in sparse and 17% in dense eucalyptus stands. The wood obstruction (blocking) effect, quantified as a relative difference of SIF escape probabilities from canopies with and without wood in the nadir viewing direction, decreased far-red SIF by 4–6% but it had a smaller and sometimes positive influence (by less than 2%) on red SIF. Fourth, DART 3D radiative budget profiles revealed that the majority of the SIF signal from a dense eucalyptus stand originated from the top 25% of the simulated canopy. Interestingly, the introduction of bark-covered woody elements did not alter the simulated balance and omnidirectional escape factor of red SIF in this upper canopy part but did raise significantly both of them in case of far-red SIF. These results demonstrate the importance of 3D radiative transfer and radiative budget simulations for investigating SIF interactions in structurally complex plant canopies and for a better understanding of spatiotemporal and multi-angular remote sensing SIF observations.

Zbyněk Malenovský↗

A Numerical Study on the Edgewise Compression Strength of Sandwich Structures with Facesheet-Core Disbonds

Damage tolerant design approaches require determination of critical damage modes and flaw sizes in order to establish nondestructive evaluation detection requirements. A finite element model is developed to assess the effect of circular facesheet-core disbonds on the strength of sandwich specimens subjected to edgewise compressive loads for the purpose of predicting the critical flaw size for a variety of design parameters. Postbuckling analyses are conducted in which an initial imperfection is seeded using results from a linear buckling analysis. Both the virtual crack closure technique (VCCT) and cohesive elements are considered for modeling disbond growth. Predictions from analyses using the VCCT and analyses using cohesive elements are in good correlation. A series of parametric analyses are conducted to investigate the effect of core thickness and material, facesheet layup, facesheet-core interface properties, and curvature on the criticality of facesheet-core disbonds of various sizes. The results from these analyses provide a basis for determining the critical flaw size for facesheet-core disbonds subjected to edgewise compression loads and, therefore, nondestructive evaluation flaw detection requirements for this configuration.

Bergan, Andrew C.↗

NASA's Carbon Monitoring System Flux-Pilot Project: A Multi-Component Analysis System for Carbon-Cycle Research and Monitoring

The importance of greenhouse gas increases for climate motivates NASA s observing strategy for CO2 from space, including the forthcoming Orbiting Carbon Observatory (OCO-2) mission. Carbon cycle monitoring, including attribution of atmospheric concentrations to regional emissions and uptake, requires a robust modeling and analysis infrastructure to optimally extract information from the observations. NASA's Carbon-Monitoring System Flux-Pilot Project (FPP) is a prototype for such analysis, combining a set of unique tools to facilitate analysis of atmospheric CO2 along with fluxes between the atmosphere and the terrestrial biosphere or ocean. NASA's analysis system is unique, in that it combines information and expertise from the land, oceanic, and atmospheric branches of the carbon cycle and includes some estimates of uncertainty. Numerous existing space-based missions provide information of relevance to the carbon cycle. This study describes the components of the FPP framework, assessing the realism of computed fluxes, thus providing the basis for research and monitoring applications. Fluxes are computed using data-constrained terrestrial biosphere models and physical ocean models, driven by atmospheric observations and assimilating ocean-color information. Use of two estimates provides a measure of uncertainty in the fluxes. Along with inventories of other emissions, these data-derived fluxes are used in transport models to assess their consistency with atmospheric CO2 observations. Closure is achieved by using a four-dimensional data assimilation (inverse) approach that adjusts the terrestrial biosphere fluxes to make them consistent with the atmospheric CO2 observations. Results will be shown, illustrating the year-to-year variations in land biospheric and oceanic fluxes computed in the FPP. The signals of these surface-flux variations on atmospheric CO2 will be isolated using forward modeling tools, which also incorporate estimates of transport error. The results will be discussed in the context of interannual variability of observed atmospheric CO2 distributions.

Pawson, S.↗

Pressure Transient Analyses and Poroelastic Modeling of Hydraulic Fracture Dilation for Multiple Injections at the Devine Fracture Pilot Site

Our team has conducted electromagnetic (EM) surveys for the past six years to monitor hydraulic-fracture behavior at the Devine Fracture Pilot Site (DFPS). The sub-horizontal orientation of a shallow hydraulic fracture at the DFPS provides uniform access to the fracture area for interrogation and data collection. Ahmadian et al. (2023) suggested a possible correlation between spatiotemporal changes in the flow rate, bottomhole pressure (BHP), and the observed surface recorded electric field at the DFPS. In this paper, we present the development of poroelastic forward models and pressure transient analyses (PTAs) to support the development of a multiphysics inverse model for these EM surveys. First, we conducted PTAs of the shut-in periods after six injections out of 10 to determine the fracture closure pressure (FCP) or the overburden pressure used in a poroelastic fracture reopening model. Second, we developed a finite-element poroelastic model throughout five injection cycles to include the effect of the cumulative injected volumes due to the previous injections on current fracture dilation in the presence of highly permeable unpropped and propped zones adjacent to the cohesive layer that models fracture reopening. Fracture reopening in this poroelastic model is based on a calibrated traction-separation response using the bottomhole pressure collected in two injection campaigns in 2020 and 2022. We used the outcomes of a previous simulation study of the primary hydraulic-fracturing stimulation to define the dimension of an unpropped fracture zone ahead of the propped fracture area. The PTAs led to FCPs consistent with those obtained using the injection data collected at the DFPS in 2020. Further, these analyses showed that at later injections, the fracture closure occurred at a later time with respect to the shut-in time, inferring the effect of cumulative injected volumes in previous injections. The simulation results show that considering the propped and unpropped fracture zones improves our poroelastic model in predicting the injection-well BHP. The numerical simulation results demonstrate a significant excess pore pressure near the fracture because of the preceding formation loadings by the previous injections. The obtained fracture dilation area and fluid pressure distribution provide a basis to improve the development of a multiphysics inverse model. Furthermore, in an iteratively coupled scheme, this pressure distribution can be introduced into EM models to render a holistic view of the causative mechanisms for the surface signal anomalies.

02 PETROLEUM↗

Revisiting Turbulence Model Validation for High-Mach Number Axisymmetric Compression Corner Flows

Two axisymmetric shock-wave/boundary-layer interaction (SWBLI) cases are used to benchmark one- and two-equation Reynolds-averaged Navier-Stokes (RANS) turbulence models. This validation exercise was executed in the philosophy of the NASA Turbulence Modeling Resource and the AIAA Turbulence Model Benchmarking Working Group. Both SWBLI cases are from the experiments of Kussoy and Horstman for axisymmetric compression corner geometries with SWBLI inducing flares of 20 and 30 degrees, respectively. The freestream Mach number was approximately 7. The RANS closures examined are the Spalart-Allmaras one-equation model and the Menter family of kappa − omega two equation models including the Baseline and Shear Stress Transport formulations. The Wind-US and CFL3D RANS solvers are employed to simulate the SWBLI cases. Comparisons of RANS solutions to experimental data are made for a boundary layer survey plane just upstream of the SWBLI region. In the SWBLI region, comparisons of surface pressure and heat transfer are made. The effects of inflow modeling strategy, grid resolution, grid orthogonality, turbulent Prandtl number, and code-to-code variations are also addressed.

Shock Wave↗

Exploring Radiation, Water and Energy Closure in Key Deep Tropical Regions Over the Last 3 Decades

The closure of global energy and water budgets at various time scales depends heavily upon the on the processes of water and energy exchange in the deep tropics. A key process observed is the change in convection regimes from disorganized convection to organized deep convection. During these periods an imbalance in key tropical regions is observed of water budget terms between observations and atmospheric reanalysis systems, implying that processes are not simulated well. For instance, periods of imbalance in the water budget may be at least partly attributed to precipitation estimates due to the transition between cloud and precipitation systems in which ice cloud affects microwave radar estimates (Lietmann-Niimi et al. 2024, submitted). A recent paper by Hsaio et al (2023, pre-published version) found that the transition process is characterized by wind shear and longwave cloud radiative feedback signatures as well. This is just one example how these processes also affect the radiative fluxes and thus the energy budget at the TOA. In this presentation, we assess the net radiative budget and components in the deep tropics by comparing multiple data products (GEWEX SRB Rel4IP, CERES EBAF/SYN1deg Ed4.2, ISSCP FH, etc.) and describing the temporal variability of energy balance terms across the deep tropics for the period from 1988 to near present in six key oceanic regions. These six key tropical oceanic regions are West Indian Ocean, the south Indian Ocean east, tropical western, central and eastern Pacific Ocean, and Tropical Atlantic Ocean. In these regions we assess the sensitivity of the fluxes as a function of fluctuations in cloud types in response to various larger scale atmospheric processes (e.g. El Niño, Indian Ocean Dipole). We assess this variability of the radiative flux anomalies (including the net TOA, surface and the atmospheric divergence fluxes) against water vapor divergence, cloud properties (include ISCCP “Weather States, Tselioudis et al. 2021) and larger scale wind shear to assess the uncertainties of energy closure in these regions. These are contrasted against the modeled radiative fluxes from ERA-5 and MERRA-2. Ocean buoy measurements of radiative fluxes are utilized to help assess data radiative flux uncertainty over the nearly 40 year period. In general, the variability for overlap periods of these various data products agrees well, but there are significant differences in the net fluxes that vary according to the rendering of surface, atmospheric, aerosol and cloud properties. These differences also affect closure terms and inferences on systematic uncertainties within the observational estimates. We conclude with recommendations for continuing work

Radiation budget↗