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At least 955 records · Page 53

Surrogate model for third-integer resonance extraction at the Fermilab Delivery Ring

We present an ongoing work in which a surrogate model is being developed to reproduce the response dynamics of the third-integer resonant extraction process in the Delivery Ring (DR) at Fermilab. This is in pursuit of smoothly extracting circulating beam to the Mu2e Experiment’s production target, whereby the goal is to extract a uniform slice of the circulating 1e12 protons in the DR over 25,000 turns (43 ms). The DR contains 3 harmonic sextupoles that excite a third-integer resonance and three fast, tune-ramping quadrupole magnets that drive the horizontal tune towards the 29/3 resonance. In our initial work, the surrogate model trains on a semi-analytical simulation provided in the same format as live data. Using Reinforcement Learning (and other potential ML methods), the trained surrogate acts as the “environment” in which a simple ML control agent could learn to dynamically adjust the quadrupole ramp at 430 break points within the 43 microsecond spill window. The controller will be hosted on a dedicated Arria 10 FPGA. In this work, we report the accuracy and fidelity of the surrogate model in comparison to the response dynamics of the physics simulator.

Narayanan, Aakaash [Fermilab]↗

Science Capsule - Capturing the Data Life Cycle

The data generated from scientific workflows often become unusable due to the lack or incompleteness of information required for processing and analyzing the data. Reproducibility of scientific data and workflows facilitates efficient processing and analyses. A key to enabling reproducibility is to capture the end-to-end workflow life cycle, and any contextual metadata and provenance.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

History Matching and Performance Prediction of a Polymer Flood Pilot in Heavy Oil Reservoir on Alaska North Slope

The first-ever polymer flood pilot to enhance heavy oil recovery on Alaska North Slope (ANS) is ongoing. After more than 2.5 years of polymer injection, significant benefit has been observed from the decrease in water cut from 65% to less than 15% in the project producers. The primary objective of this study is to develop a robust history-matched reservoir simulation model capable of predicting future polymer flood performance. In this work, the reservoir simulation model has been developed based on the geological model and available reservoir and fluid data. In particular, four high transmissibility strips were introduced to connect the injector-producer well pairs, simulating short-circuiting flow behavior that can be explained by viscous fingering and reproducing the water cut history. The strip transmissibilities were manually tuned to improve the history matching results during the waterflooding and polymer flooding periods, respectively. It has been found that higher strip transmissibilities match the sharp water cut increase very well in the waterflooding period. Then the strip transmissibilities need to be reduced with time to match the significant water cut reduction. The viscous fingering effect in the reservoir during waterflooding and the restoration of injection conformance during polymer flooding have been effectively represented. Based on the validated simulation model, numerical simulation tests have been conducted to investigate the oil recovery performance under different development strategies, with consideration for sensitivity to polymer parameter uncertainties. The oil recovery factor with polymer flooding can reach about 39% in 30 years, twice as much as forecasted with continued waterflooding. Besides, the updated reservoir model has been successfully employed to forecast polymer utilization, a valuable parameter to evaluate the pilot test’s economic efficiency. All the investigated development strategies indicate polymer utilization lower than 3.5 lbs/bbl in 30 years, which is economically attractive.

Wang, Xindan↗

Sound speed and refractive index of amorphous CaSiO3 upon pressure cycling to 40 GPa

Abstract Brillouin spectroscopy at room temperature and pressures up to 40 GPa documents nearly identical elasticity and refractive index of amorphous CaSiO3 created by two different methods: temperature-quenching the melt at ambient pressure and pressure-amorphizing crystalline wollastonite at room temperature. We find reproducible hysteresis of 0 to 8% on pressure cycling that is small relative to the 30 to 60% changes in shear and longitudinal wave velocities over this pressure range. Together with observed changes in refractive index and previous results from Raman spectroscopy, these measurements reveal a continuous and reversible change in atomic packing induced by pressure. Unlike many other silicate glasses, amorphous CaSiO3 exhibits highly reproducible properties, behaving smoothly and reversibly under pressure cycling and possessing similar structure and elasticity regardless of synthesis paths for the starting material, which suggests that the amorphous solid may mimic the liquid over the pressure range investigated.

Geochemistry & Geophysics↗

Sierra/RKPM: Current State and Applications

The Reproducing Kernel Particle Method (RKPM), a meshfree method, has been implemented in Sandia's Sierra/Solid Mechanics in a collaboration between Sandia and the University of California San Diego's Center for Extreme Events Research (UCSD/CEER). Meshfree methods, like RKPM, have an advantage over mesh-based methods, like the Finite Element Method (FEM), in applications where achieving or maintaining a quality mesh becomes burdensome or impractical. For example, using FEM for problems with very large deformations will result in poor element Jacobians which causes problems with the parametric mapping. RKPM constructs the approximation functions in the physical domain, circumventing the parametric mapping issue. Also, reconstructing the approximation functions at very large deformations is straight-forward. RKPM has an advantage over traditional meshfree methods such as Smoothed-Particle Hydrodynamics (SPH) due to its ability to reproduce linear or higher-order functions exactly. This removes the tensile instabilities that are present in SPH and allows preservation of angular momentum. The point of this memo is to explore the capabilities and limitations of the current implementation by testing it on three different applications: 1) a quasi-static ductile shearing problem 2) a dynamic concrete panel perforation problem and 3) a set of dynamic metal panel perforation problems. In summary, areas where RKPM appears to be a promising alternative to current methods have been identified. Also, outstanding inefficiencies and issues (bugs) with code are noted, ways to improve the capabilities using material from literature are mentioned and areas deserving of new research are highlighted.

42 ENGINEERING↗

Historical Comparison of Capacity Build Decisions from the Regional Energy Deployment System (ReEDS) Model

The Regional Energy Deploy System (ReEDS) capacity expansion model is frequently used to project the evolution of the U.S. power sector under a wide range of conditions. However, the model's capacity expansion decisions have never been evaluated against historical capacity expansion decisions. In this work, we perform a model validation exercise, comparing capacity expansion decision from ReEDS for 2010-2016 against the actual buildout of the electricity sector. We find that with three key adjustments ReEDS is able to reproduce national level results with reasonably high accuracy. Those three adjustments are to use historical average planning reserve margins instead of the NERC-recommended reserve margin levels, using actual financing costs rather than long-term average financing costs, and disallowing the lowest-cost hydropower upgrades, geothermal sites, and compress-air energy storage sites. We also compare the ReEDS results at a state-level and find that state-level results can be better represented by including a penalty for transferring power between regions. The improved results with that penalty indicate that the ReEDS transmission representation is likely not sufficiently stringent, and should be improved. Overall these results show that with the improvements described above, ReEDS can effectively reproduce historical capacity additions, which increases our confidence in using the model in making forward-looking projections.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Thermal Analysis of Mixed Matrix Membranes Involved in Gas Separation

Idaho National Laboratory is developing a mixed matrix membrane that can separate oxygen from air. The enriched oxygen stream is intended to be used in gasification systems and coal combustion. This study evaluated the thermal properties of polymer membranes that were cast from different solvents and contained various concentrations of nanodiamonds, where the polymer-nanodiamond composites acted as the selective layer. Measuring these properties helped to understand the membrane formation process to yield membranes that give reproducible performance. Thermomechanical Analysis determined that nanodiamonds cause a physical effect on the membrane when exposed to heating. Thermogravimetric Analysis and Differential Scanning Calorimetry determined residual solvent in the membrane after formation. Residual solvent tended to decrease the performance of membranes. From this work, we developed a method of forming solvent-free polysulfone membrane composites containing nanodiamond particles that gave reproducible permeability and selectivity data.

25 ENERGY STORAGE↗

Spall kinetics model description

Under high-rate loading in tension, metals can sustain much larger tensile stresses for sub-microsecond time periods than would be possible under quasi-static conditions. This type of failure, known as spall, is not adequately reproduced by hydrocodes with commonly used failure models. The Spall Kinetics Model treats spall by incorporating a time scale into the process of failure. Under sufficiently strong tensile states of stress, damage accumulates over this time scale, which can be thought of as an incubation time. The time scale depends on the previous loading history of the material, reflecting possible damage by a shock wave. The model acts by modifying the hydrostatic pressure that is predicted by any equation of state and is therefore simple to implement. Examples illustrate the ability of the model to reproduce the spall stress and resulting release waves in plate impact experiments on stainless steel.

36 MATERIALS SCIENCE↗

Initial Simulations of Empty Room Collapse and Reconsolidation at the Waste Isolation Pilot Plant

The Waste Isolation Pilot Plant (WIPP) is a geologic repository for defense-related nuclear waste. If left undisturbed, the virtually impermeable rock salt surrounding the repository will isolate the nuclear waste from the biosphere. If humans accidentally intrude into the repository in the future, then the likelihood of a radionuclide release to the biosphere will depend significantly on the porosity and permeability of the repository itself. Room ceilings and walls at the WIPP tend to collapse over time, causing rubble piles to form on floors of empty rooms. The surrounding rock formation will gradually compact these rubble piles until they eventually become solid salt, but the length of time for a rubble pile to reach a certain porosity and permeability is unknown. This report details the first efforts to build models to predict the porosity and permeability evolution of an empty room as it closes. Conventional geomechanical numerical methods would struggle to model empty room collapse and rubble pile consolidation, so three different meshless methods, the Immersed Isogeometric Analysis Meshfree, Reproducing Kernel Particle Method (RKPM), and the Conformal Reproducing Kernel method, were assessed. First, the meshless methods and the finite element method each simulated gradual room closure, without ceiling or wall collapse. All three methods produced equivalent room closure predictions with comparable computational speed. Second, the Immersed Isogeometric Analysis Meshfree method and RKPM simulated two-dimensional empty room collapse and rubble pile consolidation. Both methods successfully simulated large viscoplastic deformations, fracture, and rubble pile rearrangement to produce qualitatively realistic results. In addition to geomechanical simulations, the flow channels in damaged salt and crushed salt were measured using micro-computed tomography, and input into a computational fluid dynamics simulation to predict the salt's permeability. Although room for improvement exists, the current simulation approaches appear promising.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Geomechanical Characterization of Geo-architectured Rock Specimens Using Gypsum-based 3D Printing

Due to natural heterogeneity in rock specimens, classifying rock characteristics can present difficulties. 3D printing geo-architectured rock specimens has the potential to reduce the heterogeneity and help evaluate characteristics with reproducible microstructures, bedding, and strength to advance mechanical interpretations. This testing focused on 3D printing effects on strength and rock behavior by varying amount of binder, printing direction, and atmospheric conditions. A powder-based Gypsum 3D printer was used to create 1.5-inch diameter cylindrical samples. Unconfined compressive strength (UCS) testing was completed on these samples to gather failure plots and peak strength. Multiple batches of cylindrical samples were printed with varying printing direction, binder amount, and atmospheric conditions. UCS results show that the strongest samples were those that were printed perpendicular to the loading direction compared to those printed parallel or 45 degrees. Due to reactions of the printing material with water, those at dry conditions were the strongest. Samples with the most binder amount proved to also be stronger than those with less. 3D printing of rock samples has to the potential to reduce heterogeneity rock presents, however additional factors introduced by the printing process can affect overall rock strength and behavior. Test results of the 3D printed geo-architected rock specimens demonstrated reasonable reproducibility and appear to be a promising path towards increasing the ability to characterize natural rock.

36 MATERIALS SCIENCE↗

Encryption of Signal Pulses to Replace Tamper-indicating Conduit

In order to verify signal integrity and point of origin for TTL pulse data used in IAEA systems, and to avoid the need for expensive tamper-indicating conduit or electronic techniques, we propose the development of a signal pulse signing and encryption in-line device. In measurement applications in which the data acquisition electronics is separate from the enclosed, sealed detector, tamper-indicating techniques are required to protect raw TTL pulse streams between the detector and the data acquisition module, i.e UMSR. The goal of this proposed project is to design a rad-tolerant transmitter that would mount inside the sealed detector system and a receiver in the sealed electronics cabinet with the data acquisition instrument. This transmitter/receiver pair would digitally sign and encrypt the pulse stream data at the detector then transmit the data to the sealed cabinet where the receiver would decrypt the data and reproduce the original pulse stream. Existing tamper indicating techniques, such as LiveWire’s spread spectrum time domain reflectometry rely on detecting physical changes to the wiring system and can be blind to fast coupling of micro-second wide pulses. Digital signing and encryption techniques such as the Sandia Laboratories Enhanced Data Authentication System (EDAS) are capable of encrypting communications data, i.e. RS-232, but are not capable reproducing a critical time correlated data streams. Recent NA-241 Safeguards Technology supported developments have reduced the need for special conduit to transmit data via Ethernet by incorporating the IAEA RAINSTORM data encryption and authentication protocol, a tamper indicator is still required to protect raw pulse data from detectors to the acquisition electronics. Encrypting pulse data is especially complicated for radiation detection instruments due to the time correlation data analysis that is performed on this data stream. Any corruption in the timing information will produce errors in measurement values.

97 MATHEMATICS AND COMPUTING↗

Propagation of a Stress Pulse in a Heterogeneous Elastic Bar

The propagation of a wave pulse due to low-speed impact on a one-dimensional, heterogeneous bar is studied. Due to the dispersive character of the medium, the pulse attenuates as it propagates. This attenuation is studied over propagation distances that are much longer than the size of the microstructure. A homogenized peridynamic material model can be calibrated to reproduce the attenuation and spreading of the wave. The calibration consists of matching the dispersion curve for the heterogeneous material in the limit of long and moderately long wavelengths. It is demonstrated that the peridynamic method reproduces the attenuation of wave pulses predicted by an exact microstructural model over large propagation distances.

36 MATERIALS SCIENCE↗

Analytic fits to atom-in-jellium shear modulus predictions

Fits to AJ shear modulus calculations from ρ0 to the limit of the corresponding AJ EOS table (usually 1000 ρ0), adjusted to reproduce STP shear modulus where possible. Fitting minimized the fractional difference, so low-pressure points would be reproduced accurately despite the wide-ranging tabulation. AJ calculations were at T=0. Isochoric variation G(T) has been small for all cases spot-tested so far, and may have either sign. The fitted equation usually matches the AJ data to within a few percent. Between numerical noise in the AJ calculation and probably-physical structure not captured by the equation, the deviation could be up to 20% in some places in most models, and 30% in a few. AJ does not capture structural phase transitions or phases stabilized by directional bonds, where the shear modulus may vary by a greater amount. Where possible, STP ρ,G were used as parameters, and low pressure AJ points were de-weighted or removed if necessary. Otherwise, such as where AJ fails to capture solid phases with a significantly different shear modulus, the AJ data were fitted as far down in pressure as possible, G0 was also fitted if necessary, and ρ0 was also adjusted if needed to keep G0>0. The resulting models are not intended for use at low pressure, though some are probably adequate for practical purposes

36 MATERIALS SCIENCE↗

Data-driven learning of nonlocal models: from high-fidelity simulations to constitutive laws

We show that machine learning can improve the accuracy of simulations of stress waves in one-dimensional composite materials. We propose a data-driven technique to learn nonlocal constitutive laws for stress wave propagation models. The method is an optimization-based technique in which the nonlocal kernel function is approximated via Bernstein polynomials. The kernel, including both its functional form and parameters, is derived so that when used in a nonlocal solver, it generates solutions that closely match high-fidelity data. The optimal kernel therefore acts as a homogenized nonlocal continuum model that accurately reproduces wave motion in a smaller-scale, more detailed model that can include multiple materials. We apply this technique to wave propagation within a heterogeneous bar with a periodic microstructure. Several one-dimensional numerical tests illustrate the accuracy of our algorithm. The optimal kernel is demonstrated to reproduce high-fidelity data for a composite material in applications that are substantially different from the problems used as training data.

97 MATHEMATICS AND COMPUTING↗

National Ignition Campaign Data Analysis by an ICF Outsider

A simple DT burn model, with no alpha-particle warming feedback, using a combination of ICF inputs and the measured ion temperature, T, volume compression, C, ablator velocity, v, and burn width time, Δt, can reproduce the national-ignition campaign (NIC) fusion yields with a rms percent difference of ~40%. Analysis suggestion the fusion-yield reproducibility of NIC events with nominally identically measured T, C, v, and Δt is <30%. The highest fusion yields, at a fixed laser energy are obtained with depleted-uranium (DU) hohlraums and high-density carbon (HDC) ablators. Small diameter fit tubes (≤5 μm) enhance fusion yields by an average of 26±15% relative to 10-μm diameter fit tubes. A dependence of fusion yield on the diameter of the capsule relative to the diameter of the hohlraum is inferred for fixed T, C, v, and Δt. No evidence of conditions close to ignition, or alpha-particle warming is found in the existing NIC data with LEH< 2MJ. To obtain a predictive model for extrapolation proposes we map the T, C, and v into power laws as a function of LEH. The above mentioned extrapolatable model has a rms percent difference from the yields of the second half of the NIC of (56 ± 4)%. Higher (and significantly lower) DT temperatures are obtained with HDC ablators (and low-foot drives). The highest compressions are obtained via low-foot drives, but this does not compensate for the corresponding lower temperatures. An extrapolation of the presented model suggests significant alpha-particle heating at an LEH of ~5 MJ. It is hoped that others more familiar it the conditions needed for ignition will use to presented model to estimate the LEH required for ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dip leg plug formation evaluation and abatement testing in support of the H-Canyon accelerated basin de-inventory

As requested in the Technical Task Request (TTR), the Savannah River National Laboratory (SRNL) performed testing on the current typical bubbler dip leg design used in the H-Area Canyon (HCA). The TTR has a functional classification of General Services. Testing was initiated to ascertain if the plugging described in the TTR could be reproduced and, if so, to obtain general metrics on the resulting plugging dynamics, and evaluate possible mitigating methods, including design changes and cleaning/purging protocols. The bubblers were to be suspended in a simulant typical of H-Canyon solutions containing aluminum nitrate and silica at a temperature of 25°C using a nominal bubbler air flowrate of 7.5 SCFH. Emphasis was placed on minimizing equipment changes necessary to accomplish the mitigations, as equipment changes in the existing facility would be costly. Testing evolved into four (4) phases, concluding that plugging could indeed be reproduced (believed to be attributed to localized evaporation and bridging of crystals in the dip legs). During testing, plug formation information was obtained, including time, pressure, and temperature traces leading to plugging were defined; solution compositions leading to plugging were determined, and various physical characteristics (visual and mechanical) of the crystallized plug were obtained.

42 ENGINEERING↗

Toward Well-Provenanced Computer System Benchmarking: An Update

This report provides an update on the current design, implementation, and usage of bueno, a Python framework enabled by container technology that supports gradations of reproducibility for wellprovenanced benchmarking of sequential and parallel programs. The ultimate goal of the bueno project is to provide convenient access to mechanisms that aid in the automated generation, collection, and dissemination of data relevant for experimental reproducibility in computer system benchmarking.

97 MATHEMATICS AND COMPUTING↗

Modeling the Nonlinear Rheology of Polymer Additive Manufacturing

This report summarizes molecular and continuum simulation studies focused on developing physics - based predictive models for the evolution of polymer molecular order during the nonlinear processing flows of additive manufacturing. Our molecular simulations of polymer elongation flows identified novel mechanisms of fluid dissipation for various polymer architectures that might be harnessed to enhance material processability. In order to predict the complex thermal and flow history of polymer realistic additive manufacturing processes, we have developed and deployed a high - performance mesh - free hydrodynamics module in Sandia's LAMMPS software. This module called RHEO – short for Reproducing Hydrodynamics and Elastic Objects – hybridizes an updated - Lagrange reproducing - kernel method for complex fluids with a bonded particle method (BPM) to capture solidification and solid objects in multiphase flows. In combination, our two methods allow rapid, multiscale characterization of the hydrodynamics and molecular evolution of polymers in realistic processing geometries.

36 MATERIALS SCIENCE↗