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At least 487 records · Page 27

Process Optimization and Modeling for Minerals Sustainability (PrOMMiS) v1.0.0

The U.S. Department of Energy's ("DOE") Process Optimization and Modeling for Minerals Sustainability project ("PrOMMiS Project") was initiated in 2023 to transform the national Critical Minerals and Rare Earth Elements (CM & REE) landscape, thereby supporting DOE's three enduring strategic objectives: security, economic competitiveness, and environmental responsibility. To address this initiative, the PrOMMiS Project will develop, demonstrate, and deploy an open-source, advanced system modeling, optimization, and analysis application ("PrOMMiS Software Application") that will support industry decision-makers by accelerating the scale-up of novel CM & REE technologies by de-risking the development and deployment of commercial scale processes and maximizing learning throughout the development cycle.

Beattie, KeithS [Lawrence Berkeley National Labora↗

Dynamic Facade Dashboard v0.1.0

The dashboard is a useful tool for early-stage building design decision-making and communication, as it can help users quickly compare the energy and non-energy related performance of various automated, integrated facade systems using a library of pre-computed data. Users can explore the impacts of various design choices by selecting different facade glazing and shading systems, facade control strategies, and lighting control strategies across multiple climate zones. The dashboard instantly visualizes key metrics, including energy usage in HVAC and lighting, peak cooling and heating load, and daylight availability, allowing immediate trade-off analysis to optimize building efficiency and comfort.

Yu, Tammie [Lawrence Berkeley National Laboratory ↗

HdsaLib

HdsaLib performs hyper-differential sensitivity analysis in optimization problems that are constrained by partial differential equation problems. The software aids researchers in understanding the impact of uncertainties on their optimization models. The tool has been applied for use in ice sheet modeling, fluid flow modeling, atmospheric tracer transport modeling, and subsurface flow modeling. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

van Bloemen Waanders, Bart [Sandia National Lab. (↗

Detectable Anthropogenic Shift toward Heavy Precipitation over Eastern China

Abstract Changes in precipitation characteristics directly affect society through their impacts on drought and floods, hydro-dams, and urban drainage systems. Global warming increases the water holding capacity of the atmosphere and thus the risk of heavy precipitation. Here, daily precipitation records from over 700 Chinese stations from 1956 to 2005 are analyzed. The results show a significant shift from light to heavy precipitation over eastern China. An optimal fingerprinting analysis of simulations from 11 climate models driven by different combinations of historical anthropogenic (greenhouse gases, aerosols, land use, and ozone) and natural (volcanic and solar) forcings indicates that anthropogenic forcing on climate, including increases in greenhouse gases (GHGs), has had a detectable contribution to the observed shift toward heavy precipitation. Some evidence is found that anthropogenic aerosols (AAs) partially offset the effect of the GHG forcing, resulting in a weaker shift toward heavy precipitation in simulations that include the AA forcing than in simulations with only the GHG forcing. In addition to the thermodynamic mechanism, strengthened water vapor transport from the adjacent oceans and by midlatitude westerlies, resulting mainly from GHG-induced warming, also favors heavy precipitation over eastern China. Further GHG-induced warming is predicted to lead to an increasing shift toward heavy precipitation, leading to increased urban flooding and posing a significant challenge for mega-cities in China in the coming decades. Future reductions in AA emissions resulting from air pollution controls could exacerbate this tendency toward heavier precipitation.

54 ENVIRONMENTAL SCIENCES↗

The ECP SICM project: Managing complex memory hierarchies for exascale applications

The Exascale Computing Project (ECP)’s Simplified Interface to Complex Memories (SICM) effort focuses on developing universal interfaces for discovering, managing, and sharing data across complex memory hierarchies. These facilitate the exploitation of emerging memory technologies and support precise control over their various trade-offs such as high-bandwidth versus low-latency, persistent versus ephemeral, high-capacity versus low-capacity, and near-CPU versus near-GPU. SICM comprises three interrelated components: a low-level interface, a high-level interface, and a persistent-heap interface. The low-level SICM interface is intended for system and run-time developers as well as expert application developers who prefer full control of the memory objects used within their application. The high-level SICM interface builds upon the low-level interface, employing application-level profiling and analysis to optimize data management for complex memory hierarchies. The persistent-heap interface provides applications with a persistent memory allocator that can allocate custom C++ data structures in both block-storage and byte-addressable persistent memories.

97 MATHEMATICS AND COMPUTING↗

Energy Productivity of the High Velocity Algae Raceway Integrated Design (ARID-HV)

The ARID raceway is an effective method to maintain temperature in the optimal growing range. However, the energy input is excessive. Thus, the ARID-HV raceway was developed in order to reduce energy input requirements. This was accomplished by improving pumping efficiency and using a serpentine flow pattern in which the water flows through channels instead of over barriers. A prototype ARID-HV raceway was installed in Tucson, Arizona in order to evaluate the flow and energy requirements of the raceway. Preliminary results show continued high energy usage, but this paper explores the possible energy reductions with the new ARID-HV design with efficient propeller pumps and properly engineered channel lengths. Channel lengths are evaluated with Manning’s equation in order to determine the maximum channel length that could be implemented with the current pumping configuration

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Modeling Challenges for Energy Recovery Linacs with Long, High Charge Bunches

Historically, nearly all energy recovery linacs (ERLs) built and operated were used to drive a free-electron laser (FEL). The requirement for high peak current bunches necessitates bunch compression and handling the attendant beam dynamical challenges. In recent years, ERLs have turned from being drivers of light sources toward applications for nuclear physics experiments, Compton backscattering sources and strong electron cooling. Unlike an FEL, these latter uses require long, high charge bunches with small energy spread. The electron bunch must maintain a small projected energy spread and therefore must avoid gross distortion due to CSR and longitudinal space charge over a single (or multiple) recirculations. Accurately modeling the relevant collective effects in the system 'space charge, microbunching instability, CSR and the effect of shielding' in addition to beam dynamical processes such as halo, presents a formidable challenge. Absent a code that models all of these effects, we outline an approach towards the design, analysis and optimization of the high-energy electron cooler for the Jefferson Lab Electron-Ion Collider and survey widely used codes and their capabilities.

Tennant, Christopher D.↗

Fuel-Flexible Combustion System for Refinery and Chemical Plant Process Heaters

This project culminated in the demonstration of a full-scale industrial burner which allows a broad range of “opportunity” gaseous fuels to be cost-effectively and efficiently utilized while generating minimal emissions of criteria air pollutants. The burner is capable of maintaining a stable flame when the fuel composition changes rapidly. This enhanced stability will contribute significantly to improving the safety and reliability of burner operation in manufacturing sites. Process heating in the refining and chemicals sectors is the primary application for this burner. The refining and chemical sectors account for more than 40% of total industrial natural gas use. Prior to the completion of this project, an enabling technology did not exist that would allow these energy-intensive industries to take full advantage of opportunity fuels and thereby reduce their natural gas consumption. Opportunity gaseous fuels include biogas (from animal and agricultural wastes, wastewater plants, and landfills) as well as syngas (from the gasification of biomass, municipal solid wastes, construction wastes, and refinery residuals). The primary challenge to using gaseous opportunity fuels is that their composition and combustion performance differ significantly from those of conventional fuels such as natural gas and refinery fuel gas. An effective fuel-flexible burner must accept fuels that range widely in quality and change in composition over time, often rapidly. In Phase 1 of this project, the team applied computational fluid dynamics analysis to optimize the prototype burner’s aerodynamic, combustion, heat transfer, and emissions performance. In Phase 2, full-scale testing and refinement of two prototype burners were conducted in test furnaces at Zeeco’s offices in Broken Arrow, OK. These tests demonstrated that the full range of conventional and opportunity fuels could be utilized by the project’s burner while achieving robust flame stability and very low levels of air pollutant emissions. In Phase 3, the team retrofitted three fuel-flexible burners into a fired heater at a Shell plant and demonstrated the project’s technology over a 6-month period. The project burners performed well during this period. They remain in commercial service at the Shell plant. Through this work, an improved understanding of flame stabilization mechanisms was gained. Also, methods for accommodating a wide range of fuel compositions were developed. This knowledge facilitated the commercialization of a new generation of burners that are suitable for the fuels of the future.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Final Report on Subcontract B605152. Multigrid Methods for Systems of PDEs

The project team has continued with work on developing aggressive coarsening techniques for AMG methods. Of particular interest is the idea to use aggressive coarsening with polynomial smoothing. Using local Fourier analysis the optimal values for the parameters involved in defining the polynomial smoothers are determined automatically in a way to achieve fast convergence of cycles with aggressive coarsening. Numerical tests have the sharpness of the theoretical results. The methods are highly parallelizable and efficient multigrid algorithms on structured and semistructured grids in two and three spatial dimensions.

97 MATHEMATICS AND COMPUTING↗

Nuclear Hybrid Energy Systems FY16 Modeling Efforts at ORNL

A nuclear hybrid system uses a nuclear reactor as the basic power generation unit. The power generated by the nuclear reactor is utilized by one or more power customers as either thermal power, electrical power, or both. In general, a nuclear hybrid system will couple the nuclear reactor to at least one thermal power user in addition to the power conversion system. The definition and architecture of a particular nuclear hybrid system is flexible depending on local markets needs and opportunities. For example, locations in need of potable water may be best served by coupling a desalination plant to the nuclear system. Similarly, an area near oil refineries may have a need for emission-free hydrogen production. A nuclear hybrid system expands the nuclear power plant from its more familiar central power station role by diversifying its immediately and directly connected customer base. The definition, design, analysis, and optimization work currently performed with respect to the nuclear hybrid systems represents the work of three national laboratories. Idaho National Laboratory (INL) is the lead lab working with Argonne National Laboratory (ANL) and Oak Ridge National Laboratory. Each laboratory is providing modeling and simulation expertise for the integration of the hybrid system.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Visible Quantum Nanophotonics.

The goal of this LDRD is to develop a quantum nanophotonics capability that will allow practical control over electron (hole) and photon confinement in more than one dimension. We plan to use quantum dots (QDs) to control electrons, and photonic crystals to control photons. InGaN QDs will be fabricated using quantum size control processes, and methods will be developed to add epitaxial layers for hole injection and surface passivation. We will also explore photonic crystal nanofabrication techniques using both additive and subtractive fabrication processes, which can tailor photonic crystal properties. These two efforts will be combined by incorporating the QDs into photonic crystal surface emitting lasers (PCSELs). Modeling will be performed using finite-different time-domain and gain analysis to optimize QD-PCSEL designs that balance laser performance with the ability to nano-fabricate structures. Finally, we will develop design rules for QD-PCSEL architectures, to understand their performance possibilities and limits.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Case Study: Nuclear-Renewable-Water Integration in Arizona

This document reports the application of the N-R HES software framework to a case study for Arizona Public Service (APS); the manager and part owner of the Palo Verde (PV) nuclear power plant. The case study is a work in progress of which this report presents a detailed description of the current model input data, assumptions and the corresponding results produced by the developed software framework. The goal of the report is, that with this information APS (together with INL) should be able to identify where more detailed data and more accurate model assumptions are necessary to reproduce all driving physical and economic phenomena in order to capture enough complexity of the reality to allow APS to use the results for their strategic decisions. The N-R HES software framework started being developed at INL two years ago [ref]. The framework has reached some level of maturity so that it can be applied to more than simple demonstration cases, e.g. real industry problems. Nevertheless, more capabilities are constantly added to accommodate the special needs of these challenging real life problems. The N-R HES framework is built on top of the RAVEN code [ref] and uses it as driver and workflow manager for all calculations. The framework has specifically been developed for the economic assessment of N-R HES systems. There are four main cornerstones of the N-R HES simulation framework: 1) generation of stochastic time series, 2) a probabilistic analysis and optimization set of algorithms available in RAVEN, 3) a set of models for representation of the physical behavior of N-R HES, and 4) a RAVEN plug-in that maps physical performance into economic performance called CashFlow. Within this framework, a broad spectrum of questions related to N-R HES can be addressed. One of the challenges currently of high interest is that the increasing penetration of variable renewables is altering the profile of the net demand (demand after removing all non curtailable renewable energy sources), with which the other generators on the grid have to cope. The N-R HES software framework is capable to analyze the potential feasibility of mitigating the resultant volatility in the net electricity demand. One possible solution to that problem currently intensively studied by the energy industry is adding stabilizing loads to the grid. These loads can be external industrial processes that are able to ramp production up and down quickly or adding variable internal loads that will lift the base load of the power plant. The latter is a possible solution currently studied by APS. APS if currently anticipating several challenges that will likely arise in the near future. One of them is, as mentioned, coping with the rapid growth of variable renewable energy (VRE) sources put on the grid. Although APS can sell its electricity for a fixed retail price to cover the local demand first, it also sells electricity in excess of the local demand at the Palo Verde energy hub. Due to the growing VRE penetration, the Palo Verde hub electricity spot price is negative more and more frequently. To mitigate this price volatility, APS is seeking to add more base load, so that the quantity of excess energy to be sold for prices potentially less than the internal retail price or even negative prices at the hub is reduced. A second challenge APS is facing is that their cooling water acquisition contract with the Sub Regional Operating Group (SROG) will expire soon and a renewal can only be done for a significantly higher price of the water. Therefore, APS is also seeking for alternative sources for their cooling water. An opportunity currently under investigation is to pump a limited quantity of brackish water from the regional ground water. Although much cheaper than the water from the new SROG contract, the salinity of the brackish water is so high that a blend of brackish and SROG water would need additional treatment to improve its quality for use in the cooling towers. An on-site reverse osmosis (RO) desalination plant is envisaged to reduce the salinity to an acceptable level. This report investigates the economic impact of such an RO plant. As one can see, the RO plant would help with both problems APS is facing: First, it would rise the APS base load helping to mitigate VRE induced hub price volatility. From this perspective, the RO plant can be seen as a stabilizing load on the grid as would be any other industrial process. Second, the RO’s goods, e.g. the clean water produced can be used by APS itself for a (hopefully) lower cost than 100% SROG water would be. The report will first describe the APS water procurement strategy in detail and lay out the possible alternative scenarios studied in this document. This is covered in Chapter 2. Next, in Chapter 3, the APS case model developed within the N-R HES software framework is described. This chapter includes also a description of the needed framework developments to accommodate the APS study.

97 MATHEMATICS AND COMPUTING↗

A Detailed Wind Turbine Blade Cost Model

This technical report describes a detailed blade cost model for wind turbine blades in the range of 30 to 100 meters in length. The model estimates the bill of materials, the number of labor hours and the cycle time, and the costs related to direct labor, overhead, buildings, tooling, equipment, maintenance, and capital. The model applies to multimegawatt wind turbine blades manufactured via vacuum-assisted resin transfer molding, which is the most commonly adopted manufacturing method for modern wind turbine blades. The model is implemented both in a large Excel file and in Python. The latter is freely available in the repository of the Wind-Plant Integrated System Design and Engineering Model (WISDEM[R]) github.com/WISDEM. WISDEM is a multidisciplinary analysis and optimization design framework developed at the National Renewable Energy Laboratory. This blade cost model represents a valuable tool to run design optimization studies for wind turbines. In this report, the model is first presented with its approach and assumptions and then computes the costs of three blades, namely the 33-meter-long Wind Partnership for Advanced Component Technologies (WindPACT) study blade, the 63-meter-long International Energy Agency (IEA) Wind Task 37 land-based reference wind turbine blade, and the 100-meter-long SNL-100-03 blade developed at Sandia National Laboratories.

17 WIND ENERGY↗

Compare linear-system solver and preconditioner stacks with emphasis on GPU performance and propose phase-2 NGP solver development pathway

The goal of the ExaWind project is to enable predictive simulations of wind farms comprised of many megawatt-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources. The primary physics codes in the ExaWind project are Nalu-Wind, which is an unstructured-grid solver for the acoustically incompressible Navier-Stokes equations, and OpenFAST, which is a whole-turbine simulation code. The Nalu-Wind model consists of the mass-continuity Poisson-type equation for pressure and a momentum equation for the velocity. For such modeling approaches, simulation times are dominated by linear-system setup and solution for the continuity and momentum systems. For the ExaWind challenge problem, the moving meshes greatly affect overall solver costs as reinitialization of matrices and recomputation of preconditioners is required at every time step. In this report we evaluated GPU-performance baselines for the linear solvers in the Trilinos and hypre solver stacks using two representative Nalu-Wind simulations: an atmospheric boundary layer precursor simulation on a structured mesh, and a fixed-wing simulation using unstructured overset meshes. Both strong-scaling and weak-scaling experiments were conducted on the OLCF supercomputer Summit and similar proxy clusters. We focused on the performance of multi-threaded Gauss-Seidel and two-stage Gauss-Seidel that are extensions of classical Gauss-Seidel; of one-reduce GMRES, a communication-reducing variant of the Krylov GMRES; and algebraic multigrid methods that incorporate the afore-mentioned methods. The team has established that AMG methods are capable of solving linear systems arising from the fixed-wing overset meshes on CPU, a critical intermediate result for ExaWind FY20 Q3 and Q4 milestones. For the fixed-wing strong-scaling study (model with 3M grid-points), the team identified that Nalu-Wind simulations with the new Trilinos and hypre solvers scale to modest GPU counts, maintaining above 70% efficiency up to 6 GPUs. However, there still remain significant bottlenecks to performance: matrix assembly (hypre), AMG setup (hypre and Trilinos) In the weak-scaling experiments (going from 0.4M to 211M gridpoints), it's shown that the solver apply phases are faster on GPUs, but that Nalu-Wind simulation times grow, primarily due to the multigrid-setup process. Finally, based on the report outcomes, we propose a linear solver path-forward for the remainder of the ExaWind project. Near term, the NREL team will continue their work on GPU-based linear-system assembly. They will also investigate how the use of alternatives to the NVIDIA UVM (unified virtual memory) paradigm affects performance. Longer term, the NREL team will evaluate algorithmic performance on other types of accelerators and merge their improvements back to the main hypre repository branch. Near term, the Trilinos team will address performance bottlenecks identified in this milestone, such as implementing a GPU-based segregated momentum solve and reusing matrix graphs across linear-system assembly phases. Longer term, the Trilinos team will do detailed analysis and optimization of multigrid setup.

17 WIND ENERGY↗

A Dark Matter Search Using the Final SuperCDMS Soudan Dataset and the Development of a Large-Format, Highly-Multiplexed, Athermal-Phonon-Mediated Particle Detector

Over the past eighty years, numerous complementary observations of our universe have indicated that our current description of physics is far from complete. The “or- dinary matter”, such as electrons, protons, photons and neutrons, that constitutes the bulk of all human physical experiences is actually only a minority (about 16%) of the total mass of the universe. The remaining 84% is very poorly understood, but has profound effects on the dynamics and evolution of our universe. Because it does not interact with light, and is not observable in telescopes on earth, this extra mass is usually referred to as “dark matter”. Although the dark matter is poorly understood, Weakly Interacting Massive Particles (WIMPs) are a well-motivated candidate that can be directly detected via a non-gravitational interaction with nor- mal matter, potentially allowing for direct terrestrial detection and characterization of this dark matter. This dissertation is focused on this direct WIMP detect ion and will be broken into two main parts. The first part focuses on the blinded analysis of roughly three years of data collected from March 2012 to November 2015 by the SuperCDMS Soudan experiment. SuperCDMS Soudan consists of an array of 15, 0.6-kg, cryogenic, Ge iZIP particle detectors situated in a decommissioned iron mine in remote northern Minnesota. This analysis is optimized to be sensitive to theoretical WIMP masses above 10 GeV/$c^2$ . This result set the strongest limits for WIMP–germanium-nucleus interac- tions for WIMP masses greater than 12 Gev/$c^2$ and can be found here [1]. The second part focuses on the development new kind of particle detector in the style of a SuperCDMS iZIP, designed to simplify fabrication and readout, improve phonon-based position reconstruction, and help to scale to larger target arrays. These detectors replace the TES-based phonon sensors of the iZIP with Microwave Kinetic Inductance Detectors (MKIDs).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Understanding HPC Benchmark Performance on Intel Broadwell and Cascade Lake Processors

Hardware platforms in high performance computing are constantly getting more complex to handle even when considering multicore CPUs alone. Numerous features and configuration options in the hardware and the software environment that are relevant for performance are not even known to most application users or developers. Microbenchmarks, i.e., simple codes that fathom a particular aspect of the hardware, can help to shed light on such issues, but only if they are well understood and if the results can be reconciled with known facts or performance models. The insight gained from microbenchmarks may then be applied to real applications for performance analysis or optimization. In this paper we investigate two modern Intel x86 server CPU architectures in depth: Broadwell EP and Cascade Lake SP. We highlight relevant hardware configuration settings that can have a decisive impact on code performance and show how to properly measure on-chip and off-chip data transfer bandwidths. The new victim L3 cache of Cascade Lake and its advanced replacement policy receive due attention. Finally we use DGEMM, sparse matrix-vector multiplication, and the HPCG benchmark to make a connection to relevant application scenarios.

97 MATHEMATICS AND COMPUTING↗

Thermal Energy Storage Model Development within the Integrated Energy Systems Hybrid Repository

This publication details newly created energy storage models developed within the HYBRID Modelica repository as part of the Department of Energy Office of Nuclear Energy (DOE-NE) Integrated Energy Systems (IES) program, led by Idaho National Laboratory (INL). Model development to-date includes creation of dynamic systems-level models of concrete, latent heat, and packed-bed thermocline energy storage technologies for deployment in the IES-based HYBRID repository. Models are developed using the latest publicly available data and incorporate the possibility of control strategy inclusion for use with the existing IES modeling, analysis, and optimization toolset. Simulations showcase the abilities of each technology to cyclically charge and discharge when exposed to time-varying boundary conditions. In addition, low-level surrogate models for some of the thermal energy storage technologies were created using Python. These lower order Python files are much cheaper to run (i.e., computationally faster) and thus operate well when incorporated within the stochastic optimization problems run for the IES program. Moreover, economic data was collected for use within the INL-developed Framework for Optimization of ResourCes and Economics (FORCE). This information is incorporated within the FORCE platform. This work has resulted in creation of systems-level models for concrete, latent heat, and thermocline thermal energy storage systems with associated control systems. Now that these models are available, they can be utilized within different integrated energy park concepts to understand optimal system operation, control, and dispatching. Moreover, given the generic nature of the models, industrial partner technologies (e.g., Storworks Power, EnergyNest) can be quickly added to the repository using the existing models as a basis. Additional dynamic models for thermal energy storage concepts can be developed and added to the HYBRID repository as needed.

25 ENERGY STORAGE↗

Streamlining the Coupling of BISON and Dakota Through the NEAMS Workbench

Metallic nuclear fuels for use in advanced reactors are an active area of research and development. Robust, accurate metallic fuel performance models are necessary for the design, analysis, and licensing of such reactors. However, metallic fuel performance models require additional development; they are not as mature as uranium dioxide fuel performance models. To support further metallic fuel development, Oak Ridge National Laboratory and the University of Florida have streamlined the coupling of the BISON fuel performance code with Design Analysis Kit for Optimization and Terascale Applications (Dakota) statistical analysis tool through the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench. This work included performing three different sensitivity analyses on metallic nuclear fuel models in BISON. The analyses examined were a general model of the IFR-1 experiment, the X430 experiment T654 pin, and the X430 experiment T651 pin. The results suggest that BISON and Dakota can be integrated through NEAMS Workbench to perform sensitivity and uncertainty analyses and visualize the results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗