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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Incorporating Full Elastodynamic Effects and Dipping Fault Geometries in Community Code Verification Exercises for Simulations of Earthquake Sequences and Aseismic Slip (SEAS)

ABSTRACT Numerical modeling of earthquake dynamics and derived insight for seismic hazard relies on credible, reproducible model results. The sequences of earthquakes and aseismic slip (SEAS) initiative has set out to facilitate community code comparisons, and verify and advance the next generation of physics-based earthquake models that reproduce all phases of the seismic cycle. With the goal of advancing SEAS models to robustly incorporate physical and geometrical complexities, here we present code comparison results from two new benchmark problems: BP1-FD considers full elastodynamic effects, and BP3-QD considers dipping fault geometries. Seven and eight modeling groups participated in BP1-FD and BP3-QD, respectively, allowing us to explore these physical ingredients across multiple codes and better understand associated numerical considerations. With new comparison metrics, we find that numerical resolution and computational domain size are critical parameters to obtain matching results. Codes for BP1-FD implement different criteria for switching between quasi-static and dynamic solvers, which require tuning to obtain matching results. In BP3-QD, proper remote boundary conditions consistent with specified rigid body translation are required to obtain matching surface displacements. With these numerical and mathematical issues resolved, we obtain excellent quantitative agreements among codes in earthquake interevent times, event moments, and coseismic slip, with reasonable agreements made in peak slip rates and rupture arrival time. We find that including full inertial effects generates events with larger slip rates and rupture speeds compared to the quasi-dynamic counterpart. For BP3-QD, both dip angle and sense of motion (thrust versus normal faulting) alter ground motion on the hanging and foot walls, and influence event patterns, with some sequences exhibiting similar-size characteristic earthquakes, and others exhibiting different-size events. These findings underscore the importance of considering full elastodynamics and nonvertical dip angles in SEAS models, as both influence short- and long-term earthquake behavior and are relevant to seismic hazard.

Geochemistry & Geophysics↗
DOE OSTI2025

APOLLO: a facility-scale differentiable virtual accelerator at Fermilab FAST/IOTA

As the design complexity of modern accelerators grows, there is more interest in using advanced simulations that have fast execution time or yield additional insights like gradients. The FAST/IOTA facility has been working on implementing and experimentally validating an end-to-end digital twin that is both fast and gradient-aware, allowing for rapid prototyping of new software and experiments with minimal beam time costs. Our framework integrates physics and ML codes for linac and ring simulation through a set of generic interfaces between surrogate and physics-based sections. To reproduce device inputs and outputs, system state is exposed as a deterministic event loop in a specialized discrete event simulator architecture. Because Fermilab is undergoing control system transition, several APIs were implemented as final user interfaces - a fully asynchronous EPICS soft IOC, a gRPC-based Data Pool Manager (DPM), and legacy ACNET protocols. We discuss implementation details as well as challenges handling live data assimilation and future plans to extend modelling to main complex proton accelerators like PIPII and Booster.

Kuklev, Nikita [Fermilab]↗
DOE OSTI2026

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]↗
DOE OSTI2021

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↗
DOE OSTI2021

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↗
DOE OSTI2022

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↗
DOE OSTI2018

Program Correctness, Verification and Testing for Exascale (Corvette)

The goal of this project is to provide tools to assess the correctness of parallel programs written using hybrid parallelism. There is a dire lack of both theoretical and engineering know-how in the area of finding bugs in hybrid or large scale parallel programs, which our research aims to change. In the project we have demonstrated novel approaches in several areas: 1. Low overhead automated and precise detection of concurrency bugs at scale. 2. Using low overhead bug detection tools to guide speculative program transformations for performance. 3. Techniques to reduce the concurrency required to reproduce a bug using partial program restart/replay. 4. Techniques to provide reproducible execution of floating point programs. 5. Techniques for tuning the floating point precision used in codes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Multi-modal STEM-based tomography of HT-9 irradiated in FFTF

Under irradiation, point defects and defect clusters can agglomerate to form extended two and three dimensional (2D/3D) defects. The formation of defects can be synergistic in nature with one defect or defect-type influencing the formation and/or evolution of another. The resul is a need exists to perform advanced characterization where microstructures are accurately reproduced in 3D. Here, HT-9 neutron irradiated in the FFTF was used to evaluate the ability of multi-tilt STEM-based tomography to reproduce the fine-scale radiation-induced microstructure. High-efficiency STEM-EDS was used to provide both structural and chemical information during the 3D reconstruction. The results show similar results to a previous two-tilt tomography study on the same material; the α' phase is denuded around the Ni-Si-Mn rich G-phase and cavities. It is concluded both tomography reconstruction techniques are readily viable and could add significant value to the advanced characterization capabilities for irradiated materials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A Commercially Scalable Process for Silicon Anode Prelithiation

During the project, Amprius successfully evaluated new methods and processes for silicon anode prelithiation. Amprius reached several important conclusions: Amprius found that while “in cell” methods are less disruptive to anode production process flows, they are difficult to control with enough reproducibility for high-volume manufacturing. Among the methods evaluated, Amprius determined that the electrochemical prelithiation method is the most flexible, controllable and reproducible. However, the method requires a controlled environment, which would add less than 5% to cell production costs – and potentially much less than 5% if anodes and cells are produced in factories that already have a controlled moisture environment for cell assembly. (In recent years, these factories have become more common as a result of similar moisture sensitivity requirements for high voltage LCO and Nickel-rich NCM cathodes). In developing electrochemical prelithiation electrolyte formulations, Amprius introduced new classes of electrochemical additives for SEI formation and surface protection. These additives are used exclusively in prelithiation and form a more stable SEI structure that increases cycle life by as much as 50%. Since the chemistry and electrochemistry of electrolyte additives is inexhaustible and the SEI affects most performance parameters of lithium-ion cells, the work Amprius performed in this project is only the beginning of a comprehensive study in this direction.

25 ENERGY STORAGE↗
DOE OSTI2017

Low length scale modeling of Cr precipitation in FeCrAl under thermal aging conditions

This report summarizes the progress on lower length scale modeling of Cr precipitation in FeCrAl alloys, which has been identified as a possible cladding material for accident tolerant fuels due to its excellent corrosion resistance via the formation of a protective, slow growing alumina surface layer. The precipitation of Cr-rich α' clusters in FeCrAl can lead to degraded mechanical properties such as the well-known “475oC embrittlement”, and should therefore be avoided to ensure cladding integrity. In FY16, a lattice kinetic Monte Carlo (LKMC) model was developed for FeCr binary alloys. Due to the assumption of constant bond energies, the previous model cannot correctly reproduce the low-temperature part of the Fe-Cr phase diagram. It is also not possible to model the anomalous ordering tendency and repulsive interactions between Cr atoms in α Fe at the dilute concentration regime using constant bond energies. To address these issues, a new local-environment-dependent bond energy formalism has been developed for Fe-Cr in FY17 that can simultaneously reproduce the negative mixing energy at low Cr concentrations and the positive mixing energy at high Cr concentrations, and the consequent large solubility of Cr in bcc Fe at low temperatures. Furthermore, the LKMC model has been extended to include Al to enable the assessment of Cr precipitation tendency in ternary FeCrAl alloys under thermal aging. Results from the present KMC simulations show good agreement with available experiments in the literature. This study is supported by the DOE NEAMS program Accident Tolerant Fuel project.

36 MATERIALS SCIENCE↗
DOE OSTI2018

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↗
DOE OSTI2019

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↗
DOE OSTI2019

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↗
DOE OSTI2019

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↗
DOE OSTI2019

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↗
DOE OSTI2019

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↗
DOE OSTI2017

Digital Rock Physics and 3D Printing for Fractured Porous Media

Imaging techniques for the analysis of porous structures have revolutionized our ability to quantitatively characterize geomaterials. Digital representations of rock from CT images and physics modeling based on these pore structures provide the opportunity to further advance our quantitative understanding of fluid flow, geomechanics, and geochemistry, and the emergence of coupled behaviors. Additive manufacturing, commonly known as 3D printing, has revolutionized production of custom parts with complex internal geometries. For the geosciences, recent advances in 3D printing technology may be co-opted to print reproducible porous structures derived from CT-imaging of actual rocks for experimental testing. The use of 3D printed microstructure allows us to surmount typical problems associated with sample-to-sample heterogeneity that plague rock physics testing and to test material response independent from pore-structure variability. Together, imaging, digital rocks and 3D printing potentially enables a new workflow for understanding coupled geophysical processes in a real, but well-defined setting circumventing typical issues associated with reproducibility, enabling full characterization and thus connection of physical phenomena to structure. Here we report on our research exploring the possibilities that these technologies can bring to geosciences for coupled multiscale experimental and numerical analysis using 3D printed fractured rock specimens.

42 ENGINEERING↗
DOE OSTI2020

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↗