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At least 1,225 records · Page 68

Controls on Barite (BaSO 4 ) Precipitation in Unconventional Reservoirs

Barite (BaSO 4 ) precipitation is one of the most ubiquitous examples of secondary sulfate mineral scaling in shale oil and gas reservoirs. Often, a suite of chemical additives is used during fracturing operations to inhibit the accumulation of mineral scales, though their efficacy is widely varied and poorly understood. This study combines experimental data and multi-component numerical reactive transport modeling to offer a more comprehensive understanding of the geochemical behavior of barite accumulation in shale matrices under conditions typical of fracturing operations. A variety of additives and conditions are individually tested in batch reactor experiments to identify the factors controlling barite precipitation. Our experimental results demonstrate a pH dependence in the rate of barite precipitation, which we use to develop a predictive model including a pH-dependent term that satisfactorily reproduces our observations. Further, this model is then extended to consider the behavior of three major shale samples of highly variable mineralogy (Eagle Ford, Marcellus, and Barnett). This data-validated model offers a reliable tool to predict and ultimately mitigate against secondary mineral accumulation in unconventional shale reservoirs.

54 ENVIRONMENTAL SCIENCES↗

Abbreviated Technical Report: Experimentally Interrogating Detonation Chemistry on Sub-Nanosecond to Nanosecond Timescales

Direct experimental measurement of chemical reactions during high explosive detonation remains challenging. Theory and modeling have long preceded experiment in the fundamental physical and chemical kinetic properties of detonation, and experimentation at the relevant timescales are needed to both validate models and provide fundamental understanding of detonation. In this LDRD-ER project, two approaches, x-ray diffraction and core-level x-ray Raman, were developed and used to further experimental capabilities to address this gap. We further developed dynamic x-ray diffraction to directly detect nanodiamond formation during detonation, providing experimental data towards resolving longstanding controversy in the scientific literature, and although the full kinetics have not yet been fully mapped, diamond diffraction appears on the same timescales as detonation soot formation. In the second research thrust, we have developed core-level x-ray Raman for use with high explosives. This technique provides information analogous to x-ray absorption spectroscopy and electron energy loss spectroscopy, but uses inelastic scattering of hard x-rays that can interrogate chemistry around light elements much deeper into the material. The low cross section and requisite high solid angle collection have hindered its use for ultra-fast spectroscopy. We developed and tested a high-q spectrometer which will substantially increase cross section and signal-to-noise, showing this method will also not dramatically alter, compared to x-ray absorption, the most discriminating spectral features of C, N, and O from various high explosives and expected detonation products. We have also used x-ray Raman combined with OCEAN electronic structure calculations to explore dynamic photodegradation mechanisms in PETN and CL-20 explosives. This provides a pathway towards implementing capability to dynamically explore chemistry at an x-ray free electron laser.

36 MATERIALS SCIENCE↗

Use of a Compliant Tether to Decouple Observation Buoy Motion for Auxiliary Wave Power

With the growth of the Blue Economy, the volume of data collection within the ocean environment has been rapidly increasing. Larger numbers of oceanographic, meteorological, and floating Light Detection And Ranging (LiDAR) buoys have been collecting high fidelity measurements while pushing against power budget limits. Power limitations lead to infrequent transmission of reduced data sets or recording data to local storage that must be physically collected when the buoy is serviced. Triton Systems, Inc. and its partners are developing a retrofittable wave energy converter (WEC) to provide auxiliary power to these observation buoys to increase mission duration and power budget, improve reliability, and reduce the need for service trips. One of the greatest challenges has been developing a method to interface Triton's WEC with these buoys without impacting measurement fidelity. This is especially critical for inertial wave and LiDAR wind measurements collected with sensors that could be adversely affected by additional buoy dynamics introduced by an integrated WEC. To address this, Triton and EOM Offshore developed a compliant tether to pair an observation buoy with a floating WEC while decoupling relative motion. Based on EOM's proven stretch hose technology, this compliant tether transmits power and data between the buoy-WEC system. In conclusion, modeling shows that the system has the potential to minimally adversely affect oceanographic, meteorological, wind resource characterization, and other measurements, with future testing scheduled to validate modeling efforts.

16 TIDAL AND WAVE POWER↗

Optimal redesign study of the harm wing

The purpose of this project was to investigate the use of optimization techniques to improve the flutter margins of the HARM AGM-88A wing. The missile has four cruciform wings, located near mid-fuselage, that are actuated in pairs symmetrically and antisymmetrically to provide pitch, yaw, and roll control. The wings have a solid stainless steel forward section and a stainless steel crushed-honeycomb aft section. The wing restraint stiffness is dependent upon wing pitch amplitude and varies from a low value near neutral pitch attitude to a much higher value at off-neutral pitch attitudes, where aerodynamic loads lock out any free play in the control system. The most critical condition for flutter is the low-stiffness condition in which the wings are moved symmetrically. Although a tendency toward limit-cycle flutter is controlled in the current design by controller logic, wing redesign to improve this situation is attractive because it can be accomplished as a retrofit. In view of the exploratory nature of the study, it was decided to apply the optimization to a wing-only model, validated by comparison with results obtained by Texas Instruments (TI). Any wing designs that looked promising were to be evaluated at TI with more complicated models, including body modes. The optimization work was performed by McIntosh Structural Dynamics, Inc. (MSD) under a contract from TI.

Mcintosh, S. C., Jr.↗

Advanced WEC Dynamics and Controls, Test 1

Numerous studies have shown that advanced control of a wave energy converter's (WEC's) power take off (PTO) can provide significant increases (on the order of 200-300%) in WEC energy absorption. Transitioning these control approaches from simplified paper studies to application in full-scale devices remains an open and extremely challenging problem will be central to creating economically competitive WECs and delivering clean renewable energy to the US electrical grid. The Advanced WEC Dynamics and Controls project is targeted on assisting WEC developers to apply novel control systems for their devices and thus achieving major increases in performance and economic viability. The success of any control strategy is based directly upon the availability of a reduced-order model with the ability to accurately capture the dynamics of the system with sufficient accuracy. A model-scale WEC was designed and fabricated for use in studies to advance the state-of-the-art in WEC controls. This test, which is the first in a series of planned tests, focused on system identification (system ID) and model validation.

16 TIDAL AND WAVE POWER↗

SU-E-T-479: Development and Validation of Analytical Models Predicting Secondary Neutron Radiation in Proton Therapy Applications

Purpose: Test and validation of analytical models predicting leakage neutron exposure in passively scattered proton therapy. Methods: Taking inspiration from the literature, this work attempts to build an analytical model predicting neutron ambient dose equivalents, H*(10), within the local 75 MeV ocular proton therapy facility. MC simulations were first used to model H*(10) in the beam axis plane while considering a closed final collimator and pristine Bragg peak delivery. Next, MC-based analytical model was tested against simulation results and experimental measurements. The model was also expended in the vertical direction to enable a full 3D mapping of H*(10) inside the treatment room. Finally, the work focused on upgrading the literature model to clinically relevant configurations considering modulated beams, open collimators, patient-induced neutron fluctuations, etc. Results: The MC-based analytical model efficiently reproduced simulated H*(10) values with a maximum difference below 10%. In addition, it succeeded in predicting measured H*(10) values with differences <40%. The highest differences were registered at the closest and farthest positions from isocenter where the analytical model failed to faithfully reproduce the high neutron fluence and energy variations. The differences remains however acceptable taking into account the high measurement/simulation uncertainties and the end use of this model, i.e. radiation protection. Moreover, the model was successfully (differences < 20% on simulations and < 45% on measurements) extended to predict neutrons in the vertical direction with respect to the beam line as patients are in the upright seated position during ocular treatments. Accounting for the impact of beam modulation, collimation and the present of a patient in the beam path is far more challenging and conversion coefficients are currently being defined to predict stray neutrons in clinically representative treatment configurations. Conclusion: Analytical models predicting secondary neutrons in proton therapy represent a promising solution that substitute for time-consuming MC calculations.

60 APPLIED LIFE SCIENCES↗

Oblique shock structures formed during the ablation phase of aluminium wire array z-pinches

A series of experiments has been conducted in order to investigate the azimuthal structures formed by the interactions of cylindrically converging plasma flows during the ablation phase of aluminium wire array Z pinch implosions. These experiments were carried out using the 1.4 MA, 240 ns MAGPIE generator at Imperial College London. The main diagnostic used in this study was a two-colour, end-on, Mach-Zehnder imaging interferometer, sensitive to the axially integrated electron density of the plasma. The data collected in these experiments reveal the strongly collisional dynamics of the aluminium ablation streams. The structure of the flows is dominated by a dense network of oblique shock fronts, formed by supersonic collisions between adjacent ablation streams. An estimate for the range of the flow Mach number (M = 6.2-9.2) has been made based on an analysis of the observed shock geometry. Combining this measurement with previously published Thomson Scattering measurements of the plasma flow velocity by Harvey-Thompson et al.[Physics of Plasmas 19, 056303 (2012)] allowed us to place limits on the range of the ZT{sub e} of the plasma. The detailed and quantitative nature of the dataset lends itself well as a source for model validation and code verification exercises, as the exact shock geometry is sensitive to many of the plasma parameters. Comparison of electron density data produced through numerical modelling with the Gorgon 3D MHD code demonstrates that the code is able to reproduce the collisional dynamics observed in aluminium arrays reasonably well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Intrinsic Uncertainties in Modeling Complex Systems.

Models are built to understand and predict the behaviors of both natural and artificial systems. Because it is always necessary to abstract away aspects of any non-trivial system being modeled, we know models can potentially leave out important, even critical elements. This reality of the modeling enterprise forces us to consider the prospective impacts of those effects completely left out of a model – either intentionally or unconsidered. Insensitivity to new structure is an indication of diminishing returns. In this work, we represent a hypothetical unknown effect on a validated model as a finite perturbation whose amplitude is constrained within a control region. We find robustly that without further constraints, no meaningful bounds can be placed on the amplitude of a perturbation outside of the control region. Thus, forecasting into unsampled regions is a very risky proposition. We also present inherent difficulties with proper time discretization of models and representing inherently discrete quantities. We point out potentially worrisome uncertainties, arising from mathematical formulation alone, which modelers can inadvertently introduce into models of complex systems.

Cooper, Curtis S.↗

Criticality Safety Validation of SCALE 6.1 (Revised)

The computational bias of criticality safety computer codes must be established through the validation of the codes to critical experiments. A large collection of suitable experiments has been vetted by the International Criticality Safety Benchmark Experiment Program (ICSBEP) and made available in the International Handbook of Evaluated Criticality Safety Benchmark Experiments (IHECSBE). A total of more than 350 cases from this reference have been prepared and reviewed within the Verified, Archived Library of Inputs and Data (VALID) maintained by the Reactor and Nuclear Systems Division at Oak Ridge National Laboratory. The performance of the KENO V.a and KENO-VI Monte Carlo codes within the SCALE 6.1 code system with ENDF/B-VII.0 cross-section data in 238-group and continuous energy is assessed using the VALID models of benchmark experiments. The TSUNAMI tools for sensitivity and uncertainty analysis are utilized to examine some systems further in an attempt to identify potential causes of unexpected results. The critical experiments available for validation of the KENO V.a code cover eight different broad categories of systems. These systems use a range of fissile materials including a range of uranium enrichments, various plutonium isotopic vectors, and mixed uranium/plutonium oxides. The physical form of the fissile material also varies and is represented as metal, solutions, or arrays of rods or plates in a water moderator. The neutron energy spectra of the systems also vary and cover both fast and thermal spectra. Over 300 of the total cases used utilize the KENO V.a code. The critical experiments available for the validation of the KENO-VI code cover three broad categories of systems. The fissile materials in the systems vary and include high- and intermediate-enrichment uranium and mixed uranium/plutonium oxides. The physical form of the fissile material is either metal or rod arrays in water. As with KENO V.a, both fast and thermal neutron energy spectra are represented in the systems considered. The results indicate generally good performance of both the KENO V.a and KENO-VI codes across the range of systems analyzed. The bias of calculated k eff from expected values is less than 0.9% Δk in all cases. All eight categories of experiments show biases of less than 0.5% Δk in KENO V.a with the exception of intermediate enrichment metal systems using the 238-group library. The continuous energy library generally manifests lower biases than the multigroup data. The KENO-VI results show slightly larger biases, though this may primarily be the result of modeling systems with more geometric complexity, which are more difficult to describe accurately, even with a generalized geometry code like KENO-VI. Several additional conclusions can be drawn from the results of this validation effort. These conclusions include that the TSUNAMI tools can be used successfully to explain the cause of aberrant results, that some evaluations in the IHECSBE should be updated to provide more rigorous expected k eff values and uncertainties, and that potential cross-section errors can be identified by detailed review of the results of this validation. It also appears that the overall cross-section uncertainty as quantified through the SCALE covariance library is overestimated. Overall, the KENO V.a and KENO-VI codes are shown to provide consistent, low-bias results for a wide range of physical systems of potential interest in criticality safety applications.

Marshall, William (BJ) J.↗

Verification and Validation of Model-Based Autonomous Systems

This paper presents a three year project (FY99 to FY01) on the verification and validation of model based autonomous systems. The topics include: 1) Project Profile; 2) Model-Based Autonomy; 3) The Livingstone MIR; 4) MPL2SMV; 5) Livingstone to SMV Translation; 6) Symbolic Model Checking; 7) From Livingstone Models to SMV Models; 8) Application In-Situ Propellant Production; 9) Closed-Loop Verification Principle; 10) Livingstone PathFinder (LPF); 11) Publications and Presentations; and 12) Future Directions. This paper is presented in viewgraph form.

Pecheur, Charles↗

A frost formation model and its validation under various experimental conditions

A numerical model that was used to calculate the frost properties for all regimes of frost growth is described. In the first regime of frost growth, the initial frost density and thickness was modeled from the theories of crystal growth. The 'frost point' temperature was modeled as a linear interpolation between the dew point temperature and the fog point temperature, based upon the nucleating capability of the particular condensing surfaces. For a second regime of frost growth, the diffusion model was adopted with the following enhancements: the generalized correlation of the water frost thermal conductivity was applied to practically all water frost layers being careful to ensure that the calculated heat and mass transfer coefficients agreed with experimental measurements of the same coefficients.

Dietenberger, M. A.↗

Evolution of Precipitation Structure During the November DYNAMO MJO Event: Cloud-Resolving Model Intercomparison and Cross Validation Using Radar Observations

Evolution of precipitation structures are simulated and compared with radar observations for the November Madden-Julian Oscillation (MJO) event during the DYNAmics of the MJO (DYNAMO) field campaign. Three ground-based, ship-borne, and spaceborne precipitation radars and three cloud-resolving models (CRMs) driven by observed large-scale forcing are used to study precipitation structures at different locations over the central equatorial Indian Ocean. Convective strength is represented by 0-dBZ echo-top heights, and convective organization by contiguous 17-dBZ areas. The multi-radar and multi-model framework allows for more stringent model validations. The emphasis is on testing models' ability to simulate subtle differences observed at different radar sites when the MJO event passed through. The results show that CRMs forced by site-specific large-scale forcing can reproduce not only common features in cloud populations but also subtle variations observed by different radars. The comparisons also revealed common deficiencies in CRM simulations where they underestimate radar echo-top heights for the strongest convection within large, organized precipitation features. Cross validations with multiple radars and models also enable quantitative comparisons in CRM sensitivity studies using different large-scale forcing, microphysical schemes and parameters, resolutions, and domain sizes. In terms of radar echo-top height temporal variations, many model sensitivity tests have better correlations than radar/model comparisons, indicating robustness in model performance on this aspect. It is further shown that well-validated model simulations could be used to constrain uncertainties in observed echo-top heights when the low-resolution surveillance scanning strategy is used.

54 ENVIRONMENTAL SCIENCES↗

A Scientist-in-the-Loop Data Analytics Framework for Intelligent Simulation Model Tuning and Validation

This project developed a scientist-in-the-loop data analytics framework for intelligent simulation model tuning and validation, targeting the Weather Research and Forecasting (WRF) model and its solar energy variant, WRF-Solar-BNL. Domain experts, such as climate scientists, depend on large-scale numerical simulations for knowledge discovery and decision-making, yet the complexity of parameter tuning and the disconnect between automated optimization and domain expertise pose significant challenges. We extended an interactive visual analytics framework that enables domain experts to observe and intervene in the computational steering process by identifying disagreements between the simulation model, surrogate model, and the expert’s domain knowledge. Using Bayesian Optimization with Gaussian Process Regression as the surrogate model, our system allows users to probe parameter relationships, analyze correlation patterns, and adjust tuning parameters in real time. We developed use cases for solar irradiance forecasting through sustained collaboration with Brookhaven National Laboratory, resolving critical model configuration challenges and achieving meaningful reductions in prediction error. The project supported one PhD student, one MS student, and eight undergraduate students across three Data Science Capstone projects, resulting in one master’s thesis.

Dasgupta, Aritra [New Jersey Institute of Technolo↗

Modelling human myoblasts survival upon xenotransplantation into immunodeficient mouse muscle

Cell transplantation has been challenged in several clinical indications of genetic or acquired muscular diseases, but therapeutic success were mitigated. To understand and improve the yields of tissue regeneration, we aimed at modelling the fate of CD56-positive human myoblasts after transplantation. Using immunodeficient severe combined immunodeficiency (SCID) mice as recipients, we assessed the survival, integration and satellite cell niche occupancy of human myoblasts by a triple immunohistochemical labelling of laminin, dystrophin and human lamin A/C. The counts were integrated into a classical mathematical decline equation. After injection, human cells were essentially located in the endomysium, then they disappeared progressively from D0 to D28. The final number of integrated human nuclei was grossly determined at D2 after injection, suggesting that no more efficient fusion between donor myoblasts and host fibers occurs after the resolution of the local damages created by needle insertion. Almost 1% of implanted human cells occupied a satellite-like cell niche. Our mathematical model validated by histological counting provided a reliable quantitative estimate of human myoblast survival and/or incorporation into SCID muscle fibers. Informations brought by histological labelling and this mathematical model are complementary.

60 APPLIED LIFE SCIENCES↗

Vertical control of DIII-D discharges with strong negative triangularity

Through predictive modeling validated by a series of experiments on DIII-D, the vertical stability of low β diverted plasmas with strong negative triangularity (NT) ($\delta\sim-0.6$) is assessed. As a result of their unique magnetic geometry, NT plasmas feature larger Shafranov shifts and more elongated inner flux surfaces than positive triangularity counterparts, typically leading to enhanced vertical instability growth rates. However, coupling with the non-conformal vessel DIII-D wall reduces these growth rates to controllable values, providing a path forward for stabilizing strongly NT plasma with a diverted geometry. These discharges are used to validate GSdesign (part of the TokSys code suite) stability calculations in strong NT plasmas on DIII-D, with errors of no more than ~20% observed between modeled and experimentally measured growth rates. Additions of diagnostic noise and power supply tuning to the TokSys model are needed to accurately capture the time dependence of DIII-D NT discharges, assisting with the design of control schemes specific to the DIII-D poloidal field coils. Lastly, implications of these results on a future NT reactor are briefly described.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermolytic Hydrogen Generation Testing of Tank 22 Material

Savannah River National Laboratory performed hydrogen generation rate (HGR) testing using Tank 22 actual-waste sample material. The main objective of the testing was to determine the thermolysis HGR for Tank 22 material with and without added glycolate. An important use of the data from actual-waste sample testing is to validate equations for the Savannah River Site Concentration, Storage, and Transfer Facility (CSTF) HGR being developed through simulated-waste testing. Not exclusive to providing data for model validation, the desired outcome of this testing was to demonstrate a negligible thermolytic HGR in Tank 22 from the contribution of glycolate from the future Defense Waste Processing Facility (DWPF) Nitric-Glycolic Acid (NGA) flowsheet to Tank 22. Tank 22 is the pathway for glycolate in the DWPF recycle stream to enter the CSTF. Testing with added glycolate used the estimated future concentration of glycolate based on DWPF recycle with limited Sludge Receipt and Adjustment Tank and Slurry Mix Evaporator (SME) material carry-over but without glycolate mitigation in the Recycle Collection Tank. Minor objectives include the determination of the impact of the glycolate source used in testing and the inclusion of sludge solids in testing.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

WINDPROF: Merged Best-Estimate Wind Profile Data – Site A1 (AWAKEN Campaign)

WINDPROF provides 10-minute wind and turbulence profiles, integrating Doppler lidars and anemometers during the AWAKEN campaign. Key data include wind speed, direction, vertical velocity, and turbulence parameters, with standardized quality control (e.g., instrument-specific thresholds and inter-instrument validation). Profiles are interpolated to a height grid (20 m spacing below 100 m; 30 m above) and include uncertainty estimates, offering reproducible methods for atmospheric research, model validation, and wind energy studies.

17 WIND ENERGY↗

WINDPROF: Merged Best-Estimate Wind Profile Data – Site A2 (AWAKEN Campaign)

WINDPROF provides 10-minute wind and turbulence profiles, integrating Doppler lidars and anemometers during the AWAKEN campaign. Key data include wind speed, direction, vertical velocity, and turbulence parameters, with standardized quality control (e.g., instrument-specific thresholds and inter-instrument validation). Profiles are interpolated to a height grid (20 m spacing below 100 m; 30 m above) and include uncertainty estimates, offering reproducible methods for atmospheric research, model validation, and wind energy studies.

17 WIND ENERGY↗