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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 163 records · Page 9

Assessing Adaptive Mesh Refinement (AMR) in a Forced Shallow-Water Model with Moisture

Two forced shallow-water flow scenarios are explored in a 2D fourth-order finite-volume dynamical core with adaptive mesh refinement (AMR) to investigate AMR’s ability to track and resolve complex evolving features. Traditional shallow-water test cases are mainly characterized by large-scale smooth flows that do not effectively test the multiscale abilities of variable-resolution and AMR models to resolve sharp gradients and small-scale flow filaments. Therefore, adding forcing mechanisms to the shallow-water system to model key atmospheric processes adds complexity and creates small-scale phenomena. These can serve as foci for dynamic grid refinement while remaining simple enough to study the numerical design of a model’s dynamical core. The first shallow-water flow scenario represents a strengthening, tropical cyclone–like, vortex that is driven by a Betts–Miller-like convection scheme. The second shallow-water test is built upon a barotropically unstable jet with an added Kessler-like warm rain scheme that leads to precipitating frontal zones. The key feature of both tests is that there is significant sensitivity to the model grid while converging (structurally) at high resolution. Both test cases are investigated for a series of uniform resolutions and a variety of AMR tagging criteria. The AMR simulations demonstrate that grid refinement can resolve local features without requiring global high-resolution meshes. However, the results are sensitive to the refinement criteria. Criteria that trigger refinement early in a simulation reproduce the uniform-resolution reference solutions most reliably. Finally, in contrast, AMR criteria that delay refinement for several days require careful tuning of the AMR thresholds to improve results compared with uniform-resolution simulations.

54 ENVIRONMENTAL SCIENCES↗

Engineering-Scale Integrated Energy System Data Projection Demonstration via the Dynamic Energy Transport and Integration Laboratory

The objective of this study is to demonstrate and validate the Dynamic Energy Transport and Integration Laboratory (DETAIL) preliminary scaling analysis using Modelica language system-code Dymola. The DETAIL preliminary scaling analysis includes a multisystem integral scaling package between thermal-storage and hydrogen-electrolysis systems. To construct the system of scaled equations, dynamical system scaling (DSS) was applied to all governing laws and closure relations associated with the selected integral system. The existing Dymola thermal-energy distribution system (TEDS) facility and high-temperature steam electrolysis (HTSE) facility models in the Idaho National Laboratory HYBRID repository were used to simulate a test case and a corresponding scaled case for integrated system HYBRID demonstration and validation. The DSS projected data based on the test-case simulations and determined scaling ratios were generated and compared with scaled case simulations. The preliminary scaling analysis performance was evaluated, and scaling distortions were investigated based on data magnitude, sequence, and similarity. The results indicated a necessity to change the normalization method for thermal storage generating optimal operating conditions of 261 kW power and mass flow rate of 6.42 kg/s and the possibility of reselecting governing laws for hydrogen electrolysis to improve scaling predictive properties. To enhance system-scaling similarity for TEDS and HTSE, the requirement for scaling validation via physical-facility demonstration was identified.

08 HYDROGEN↗

Faster solutions to the interdiction defense problem using suboptimal solutions

The interdiction defense (ID) problem solves a defender-attacker-defender model where the defender and attacker share the same set of components to harden and target. Here, we build upon the best response intersection (BRI) algorithm by developing the BRI with suboptimal solutions (BRI-SS) algorithm to solve the ID problem. The BRI-SS algorithm utilizes off-the-shelf optimization solvers that return suboptimal solutions at no additional computation cost. We derive novel cuts from suboptimal solutions, reducing the number of iterations required for the algorithm to converge while maintaining optimality guarantees. We also present a heuristic that utilizes all obtained suboptimal solutions to select the next defense to evaluate at each iteration. We perform computational experiments applied to power grid interdiction on standard test cases. Our results demonstrate that the BRI-SS algorithm consistently outperforms the BRI algorithm across all test cases.

Computer science↗

MO-FG-CAMPUS-TeP2-05: Optimizing Stereotactic Radiosurgery Treatment of Multiple Brain Metastasis Lesions with Individualized Rotational Arc Trajectories

Purpose: Radiosurgery of multiple (n>4) brain metastasis lesions requires 3–4 noncoplanar VMAT arcs with excessively high monitor units and long delivery time. We investigated whether an improved optimization technique would decrease the needed arc numbers and increase the delivery efficiency, while improving or maintaining the plan quality. Methods: The proposed 4pi arc space optimization algorithm consists of two steps: automatic couch angle selection followed by aperture generation for each arc with optimized control points distribution. We use a greedy algorithm to select the couch angles. Starting from a single coplanar arc plan we search through the candidate noncoplanar arcs to pick a single noncoplanar arc that will bring the best plan quality when added into the existing treatment plan. Each time, only one additional noncoplanar arc is considered making the calculation time tractable. This process repeats itself until desired number of arc is reached. The technique is first evaluated in coplanar arc delivery scheme with testing cases and then applied to noncoplanar treatments of a case with 12 brain metastasis lesions. Results: Clinically acceptable plans are created within minutes. For the coplanar testing cases the algorithm yields singlearc plans with better dose distributions than that of two-arc VMAT, simultaneously with a 12–17% reduction in the delivery time and a 14–21% reduction in MUs. For the treatment of 12 brain mets while Paddick conformity indexes of the two plans were comparable the SCG-optimization with 2 arcs (1 noncoplanar and 1 coplanar) significantly improved the conventional VMAT with 3 arcs (2 noncoplanar and 1 coplanar). Specifically V16 V10 and V5 of the brain were reduced by 11%, 11% and 12% respectively. The beam delivery time was shortened by approximately 30%. Conclusion: The proposed 4pi arc space optimization technique promises to significantly reduce the brain toxicity while greatly improving the treatment efficiency.

60 APPLIED LIFE SCIENCES↗

Applications of Lifted Nonlinear Cuts to Convex Relaxations of the AC Power Flow Equations

Here, we demonstrate that valid inequalities, or lifted nonlinear cuts (LNC), can be projected to tighten the Second Order Cone (SOC), Convex DistFlow (CDF), and Network Flow (NF) relaxations of the AC Optimal Power Flow (AC-OPF) problem. We conduct experiments on 38 cases from the PGLib-OPF library, showing that the LNC strengthen the SOC and CDF relaxations in 100% of the test cases, with average and maximum differences in the optimality gaps of 6.2% and 17.5% respectively. The NF relaxation is strengthened in 46.2% of test cases, with average and maximum differences in the optimality gaps of 1.3% and 17.3% respectively. We also study the trade-off between relaxation quality and solve time, demonstrating that the strengthened CDF relaxation outperforms the strengthened SOC formulation in terms of runtime and number of iterations needed, while the strengthened NF formulation is the most scalable with the lowest relaxation quality improvement due to these LNC.

24 POWER TRANSMISSION AND DISTRIBUTION↗

FY23 Status Report for A709 Code Case Creep Testing at ANL

This report provides an update on the status of the creep rupture testing on the precipitation treated (PT) Alloy 709 samples fabricated from the first, the second and the third commercial heats, in support of the American Society of Mechanical Engineers (ASME) Alloy 709 Code Case development. In Fiscal Year (FY) 23, 11 new tests were initiated and 11 tests were ruptured, some of those were initiated in FY21 or FY22. This report presents the creep data and the metallographic observations on selected rupture specimens.

36 MATERIALS SCIENCE↗

Kinetic Monte Carlo Simulations of Chemical Reactions on Surfaces

Lattice based kinetic Monte Carlo (kMC) simulations are a powerful tool for micro-kinetic modeling. The kinetic Monte Carlo technique stochastically simulates chemical reaction processes (e.g. adsorption, desorption, diffusion), where the probability of a given reaction process being selected is weighted by its rate constant. The open source software package, KMOS1, allows fast construction of kMC simulations by automatically implementing a computationally efficient kMC framework, thus allowing the researcher to focus on accurate parameterization and formulation of the kinetic model. From this, the spatiotemporal evolution (e.g. concentration, surface configuration, turnover frequencies) of crystal surfaces or bulk crystalline structures is obtained. KMOS uses the variable step-size method implementation of kMC. At each step, the VSSM updates available events, calculates the corresponding transition rates and simulation time, and selects one of the available events. The lattice based kMC technique has many potential applications within SRNL where chemical kinetics are of interest. By transitioning through time along a trajectory of configuration space, fundamental insights to a system's dominant reactions and parameters can be gained, leading to improved materials and process design. In this work, we have established capabilities for fast implementation of kMC simulations through the installation and testing of the KMOS software on SRNL high performance computing resources. The parameterization of kMC simulations is often performed from first-principles energetic calculations. For the purposes of this work, the test cases use arbitrary species and thus, have arbitrary parameterization. In order to demonstrate the use of KMOS, two primary test cases are shown. Case 1 involves simple adsorption and desorption. Case 2 involves a slightly more complex mechanism. The evolution of the surface concentration and the final surface configuration for simulation Case 2 is shown. Rate-limiting processes and rate-limiting configurations are not always known or understood, but kMC provides information pertaining to both. The capability to implement efficient micro-kinetic models using the kinetic Monte Carlo technique has been established through the testing and installation of KMOS on SRNL HPC resources.

97 MATHEMATICS AND COMPUTING↗

Testing contamination source identification methods for water distribution networks

In the event of contamination in a water distribution network (WDN), source identification (SI) methods that analyze sensor data can be used to identify the source location(s). Knowledge of the source location and characteristics are important to inform contamination control and cleanup operations. Various SI strategies that have been developed by researchers differ in their underlying assumptions and solution techniques. The following manuscript presents a systematic procedure for testing and evaluating SI methods. The performance of these SI methods is affected by various factors including the size of WDN model, measurement error, modeling error, time and number of contaminant injections, and time and number of measurements. This paper includes test cases that vary these factors and evaluates three SI methods on the basis of accuracy and specificity. The tests are used to review and compare these different SI methods, highlighting their strengths in handling various identification scenarios. These SI methods and a testing framework that includes the test cases and analysis tools presented in this paper have been integrated into EPA’s Water Security Toolkit (WST), a suite of software tools to help researchers and others in the water industry evaluate and plan various response strategies in case of a contamination incident. Lastly, a set of recommendations are made for users to consider when working with different categories of SI methods.

54 ENVIRONMENTAL SCIENCES↗

Puget Sound Energy Glacier Energy Storage System: An Assessment of Battery Technical Performance

This report investigates the technical performance of the Glacier BESS facility, consisting of one 2 MW, 4 MWh BESS, based on a number of baseline and use case tests. Baseline tests were intended to assess the general technical capability of the BESS (e.g., stored energy capacity, ramp rate performance, ability to track varying charge/discharge commands, direct current (DC) battery internal resistance). Use case tests were used to examine the performance of the BESS while engaged in specific economic services (e.g., arbitrage, power factor correction). The project measured and/or calculated parameters that are important for understanding BESS performance when subjected to actual field operation for achieving economic benefits, e.g., round trip efficiency (RTE) with and without rest, with and without auxiliary loads, auxiliary power consumption, signal command tracking performance, temperature variations, parasitic power loss during power electronics switching during rest, and state of charge (SOC) excursions. These baseline and use case parameters were analyzed using recorded test results. In addition, the results and lessons presented herein are also beneficial for any task or effort that needs technical assessment on similar and different types of BESS based on field deployment results, since the assessment methodology remains the same.

25 ENERGY STORAGE↗

Snohomish Public Utility District MESA 2: An Assessment of Flow Battery Energy Storage System Technical Performance

This report investigates the technical performance of the 2.2 MW, 8 MWh MESA 2 advanced vanadium flow battery energy storage system (FBESS), consisting of four 0.55 MW, 2 MWh strings, based on a number of baseline and use case tests. The FBESS is located at the Everett, Washington substation and owned by SnoPUD. The FBESS was procured by SnoPUD with matching funds by the Washington Clean Energy. Baseline tests were intended to assess the general technical capability of the FBESS (e.g., stored energy capacity, ramp rate performance, ability to track varying charge/discharge commands, direct current (DC) battery internal resistance). Use case tests were used to examine the performance of the FBESS while engaged in specific grid services (e.g., arbitrage, power factor correction). The project measured and/or calculated parameters that are important for understanding FBESS performance when subjected to actual field operation for achieving economic benefits, e.g., round trip efficiency (RTE) with and without rest, with and without auxiliary loads, auxiliary power consumption, signal command tracking, temperature trends during operation, parasitic power loss unaccounted by auxiliary load during rest, and state of charge (SOC) excursions. These baseline and use case parameters were analyzed using recorded test results. In addition, the results and lessons presented herein are also beneficial for any task or effort that needs technical assessment on similar and different types of FBESS based on technical specifications and/or field deployment results, since the assessment methodology remains the same.

25 ENERGY STORAGE↗

Automation of FARM from Alpha Phase to Beta Phase

Integrated energy systems (IES) combine different energy technologies in synergistic ways to achieve a more secure and economical energy supply. The RAVEN-based HYBRID framework and the RAVEN plugin for grid and capacity optimization (HERON) are used to find the optimal installed capacity and the optimal economical dispatch of each component of the IES, by respecting the limits on the production variables and the corresponding rates of variation (explicit constraints). Besides, there are other process variables whose evolution needs to be bounded to avoid damaging the components (e.g., condensers, heat exchangers, steam generators, etc.) or degrading the process efficiency (e.g., electrolysis in the hydrogen production process). To avoid violating these latter limits (implicit constraints), a proof-of-concept HERON validator based on Feasible Actuator Range Modifier (FARM-Alpha) was developed by Argonne National Laboratory in January 2021. This FARM-Alpha validator calculates the evolution of process variables on whom the implicit constraints are placed, and then provides feedback to HERON dispatcher to adjust the power setpoints of three IES components, i.e., Balance of Plant, Secondary Energy Source, and Thermal Energy Storage, so as to meet both the explicit and implicit constraints. FARM-Alpha was designed to assess the performance of FARM as a HERON validator only, i.e., the list of components and implicit operational constraints were hard-coded within the source code. The lack of flexibility of the corresponding software structure does not allow the deployment in production environment. This report describes the development and the implementation of an enhanced version of the FARM-based validator (FARM-Beta), which ensures more flexibility for the end user in modeling multiple IES configurations and scenarios. Several test cases of the power dispatch problem were then selected to demonstrate the capabilities offered by FARM-beta. The test cases illustrate the efficiency of the closed-loop optimization scheme and the capability to calculate set-point trajectories satisfying both explicit and implicit constraints.

24 POWER TRANSMISSION AND DISTRIBUTION↗

New perspectives on superparameterization for geophysical turbulence

This is a research expository paper regarding superparameterization, a class of multi-scale numerical methods designed to cope with the intermittent multi-scale effects of inhomogeneous geophysical turbulence where energy often inverse-cascades from the unresolved scales to the large scales through the effects of waves, jets, vortices, and latent heat release from moist processes. Original as well as sparse space–time superparameterization algorithms are discussed for the important case of moist atmospheric convection including the role of multi-scale asymptotic methods in providing self-consistent constraints on superparameterization algorithms and related deterministic and stochastic multi-cloud parameterizations. Test models for the statistical numerical analysis of superparameterization algorithms are discussed both to elucidate the performance of the basic algorithms and to test their potential role in efficient multi-scale data assimilation. The very recent development of grid-free seamless stochastic superparameterization methods for geophysical turbulence appropriate for “eddy-permitting” mesoscale ocean turbulence is presented here including a general formulation and illustrative applications to two-layer quasigeostrophic turbulence, and another difficult test case involving one-dimensional models of dispersive wave turbulence. This last test case has randomly generated solitons as coherent structures which collapse and radiate wave energy back to the larger scales, resulting in strong direct and inverse turbulent energy cascades.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Matrix-Free High-Performance Saddle-Point Solvers for High-Order Problems in \(\boldsymbol{H}(\operatorname{\textbf{div}})\)

Here, this work describes the development of matrix-free GPU-accelerated solvers for high-order finite element problems in H(div). The solvers are applicable to grad-div and Darcy problems in saddle-point formulation, and have applications in radiation diffusion and porous media flow problems, among others. Using the interpolation–histopolation basis, efficient matrix-free preconditioners can be constructed for the (1, 1)-block and Schur complement of the block system. With these approximations, block-preconditioned MINRES converges in a number of iterations that is independent of the mesh size and polynomial degree. The approximate Schur complement takes the form of an M-matrix graph Laplacian and therefore can be well-preconditioned by highly scalable algebraic multigrid methods. High-performance GPU-accelerated algorithms for all components of the solution algorithm are developed, discussed, and benchmarked. Numerical results are presented on a number of challenging test cases, including the “crooked pipe” grad-div problem, the SPE10 reservoir modeling benchmark problem, and a nonlinear radiation diffusion test case.

97 MATHEMATICS AND COMPUTING↗

Avista Turner Energy Storage System: Assessment of Battery Technical Performance

This report investigates the technical performance of the 1 MW, 3.2 MWh advanced vanadium flow battery energy storage system (FBESS), consisting of two 0.5 MW, 1.6 MWh strings, based on a number of reference performance and use case tests. The FBESS is located on the utility 12 kV distribution system, between the Turner Substation and SEL’s manufacturing facility in Pullman, Washington. Reference performance tests (RPTs) were intended to assess the general technical capability of the FBESS (e.g., stored energy capacity, ramp rate performance, ability to track varying charge/discharge commands, direct current (DC) battery internal resistance). Use case tests were used to examine the performance of the FBESS while engaged in specific grid services (e.g., arbitrage, frequency regulation, balancing, volt ampere reactive (var) support, dynamic peak shaving). The project determined performance metrics that are important for understanding FBESS performance when subjected to field operation for achieving economic benefits from measurements and/or calculations. These metrics were: • RTE with and without rest, with and without auxiliary loads • Auxiliary power consumption • Reference signal tracking • Temperature excursions beyond normal operating range • Parasitic power loss unaccounted by auxiliary load during rest, and • State of charge (SOC) excursions beyond normal operating range. These RPT and use case performance metrics were analyzed using recorded test results. In addition, the results and lessons presented are also beneficial for any task or effort that needs technical assessment on similar and different types of FBESS, and BESS in general, based on technical specifications and/or field deployment results, since the assessment methodology remains the same.

25 ENERGY STORAGE↗

Expert Consensus Contouring Guidelines for Intensity Modulated Radiation Therapy in Esophageal and Gastroesophageal Junction Cancer

Purpose/Objective(s): Current guidelines for esophageal cancer contouring are derived from traditional 2-dimensional fields based on bony landmarks, and they do not provide sufficient anatomic detail to ensure consistent contouring for more conformal radiation therapy techniques such as intensity modulated radiation therapy (IMRT). Therefore, we convened an expert panel with the specific aim to derive contouring guidelines and generate an atlas for the clinical target volume (CTV) in esophageal or gastroesophageal junction (GEJ) cancer. Methods and Materials: Eight expert academically based gastrointestinal radiation oncologists participated. Three sample cases were chosen: a GEJ cancer, a distal esophageal cancer, and a mid-upper esophageal cancer. Uniform computed tomographic (CT) simulation datasets and accompanying diagnostic positron emission tomographic/CT images were distributed to each expert, and the expert was instructed to generate gross tumor volume (GTV) and CTV contours for each case. All contours were aggregated and subjected to quantitative analysis to assess the degree of concordance between experts and to generate draft consensus contours. The panel then refined these contours to generate the contouring atlas. Results: The κ statistics indicated substantial agreement between panelists for each of the 3 test cases. A consensus CTV atlas was generated for the 3 test cases, each representing common anatomic presentations of esophageal cancer. The panel agreed on guidelines and principles to facilitate the generalizability of the atlas to individual cases. Conclusions: This expert panel successfully reached agreement on contouring guidelines for esophageal and GEJ IMRT and generated a reference CTV atlas. This atlas will serve as a reference for IMRT contours for clinical practice and prospective trial design. Subsequent patterns of failure analyses of clinical datasets using these guidelines may require modification in the future.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Simplified Predictive Models for CO 2 Sequestration Performance Assessment: Research Topical Report on Task #4 - Reduced-Order Method (ROM) Based Models

Reduced-order models provide a means for greatly accelerating the detailed simulations that will be required to manage CO 2 storage operations. In this work, we investigate the use of one such method, POD-TPWL, which has previously been shown to be effective in oil reservoir simulation problems. This method combines trajectory piecewise linearization (TPWL), in which the solution to a new (test) problem is represented through a linearization around the solution to a previously-simulated (training) problem, with proper orthogonal decomposition (POD), which enables solution states to be expressed in terms of a relatively small number of parameters. We describe the application of POD-TPWL for CO 2 -water systems simulated using a compositional procedure. Stanford’s Automatic Differentiation-based General Purpose Research Simulator (AD-GPRS) performs the full-order training simulations and provides the output (derivative matrices and system states) required by the POD-TPWL method. A new POD-TPWL capability introduced in this work is the use of horizontal injection wells that operate under rate (rather than bottom-hole pressure) control. Simulation results are presented for CO 2 injection into a synthetic aquifer and into a simplified model of the Mount Simon formation. Test cases involve the use of time-varying well controls that differ from those used in training runs. Results of reasonable accuracy are consistently achieved for relevant well quantities. Runtime speedups of around a factor of 370 relative to full- order AD-GPRS simulations are achieved, though the preprocessing needed for POD-TPWL model construction corresponds to the computational requirements for about 2.3 full-order simulation runs. A preliminary treatment for POD-TPWL modeling in which test cases differ from training runs in terms of geological parameters (rather than well controls) is also presented. Results in this case involve only small differences between training and test runs, though they do demonstrate that the approach is able to capture basic solution trends. The impact of some of the detailed numerical treatments within the POD-TPWL formulation is considered in an Appendix.

Mishra, Srikanta↗

COLLAPSE AND FRAGMENTATION OF MAGNETIC MOLECULAR CLOUD CORES WITH THE ENZO AMR MHD CODE. I. UNIFORM DENSITY SPHERES

Magnetic fields are important contributors to the dynamics of collapsing molecular cloud cores, and can have a major effect on whether collapse results in a single protostar or fragmentation into a binary or multiple protostar system. New models are presented of the collapse of magnetic cloud cores using the adaptive mesh refinement code Enzo2.0. The code was used to calculate the ideal magnetohydrodynamics (MHD) of initially spherical, uniform density, and rotation clouds with density perturbations, i.e., the Boss and Bodenheimer standard isothermal test case for three-dimensional (3D) hydrodynamics codes. After first verifying that Enzo reproduces the binary fragmentation expected for the non-magnetic test case, a large set of models was computed with varied initial magnetic field strengths and directions with respect to the cloud core axis of rotation (parallel or perpendicular), density perturbation amplitudes, and equations of state. Three significantly different outcomes resulted: (1) contraction without sustained collapse, forming a denser cloud core; (2) collapse to form a single protostar with significant spiral arms; and (3) collapse and fragmentation into binary or multiple protostar systems, with multiple spiral arms. Comparisons are also made with previous MHD calculations of similar clouds with a barotropic equations of state. These results for the collapse of initially uniform density spheres illustrate the central importance of both magnetic field direction and field strength for determining the outcome of dynamic protostellar collapse.

79 ASTRONOMY AND ASTROPHYSICS↗

Wave propagation speeds and source term influences in single and integral porosity shallow water equations

In urban flood modeling, so-called porosity shallow water equations (PSWEs), which conceptually account for unresolved structures, e.g., buildings, are a promising approach to addressing high CPU times associated with state-of-the-art explicit numerical methods. The PSWE can be formulated with a single porosity term, referred to as the single porosity shallow water model (SP model), which accounts for both the reduced storage in the cell and the reduced conveyance, or with two porosity terms: one accounting for the reduced storage in the cell and another accounting for the reduced conveyance. The latter form is referred to as an integral or anisotropic porosity shallow water model (AP model). The aim of this study was to analyze the differences in wave propagation speeds of the SP model and the AP model and the implications of numerical model results. First, augmented Roe-type solutions were used to assess the influence of the source terms appearing in both models. It is shown that different source terms have different influences on the stability of the models. Second, four computational test cases were presented and the numerical models were compared. It is observed in the eigenvalue-based analysis as well as in the computational test cases that the models converge if the conveyance porosity in the AP model is close to the storage porosity. If the porosity values differ significantly, the AP model yields different wave propagation speeds and numerical fluxes from those of the BP model. In this study, the ratio between the conveyance and storage porosities was determined to be the most significant parameter.

58 GEOSCIENCES↗