Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Computational demand”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 307 records · Page 17

A Physics-Constrained Deep Learning Model for Simulating Multiphase Flow in 3D Heterogeneous Porous Media

Physics-based simulators for multiphase flow in porous media emulate nonlinear processes with coupled physics, and usually require extensive computational resources for software development, maintenance and simulation execution. As a result, a huge demand exists for fast modeling of coupled processes in a wide range of subsurface applications including geological sequestration, hydrocarbon recovery and geothermal energy extraction. In this work, an efficient physics-constrained deep learning model is developed for solving multiphase flow in 3-Dimensional (3D) heterogeneous porous media. The model fully leverages the spatial topology predictive capability of convolutional neural networks, specifically U-Net with successive contracting and expansive steps, and is coupled with an efficient continuity-based smoother to predict flow responses that need spatial continuity. Furthermore, the transient regions are penalized to steer the training process such that the model can accurately capture flow in these regions. The model takes inputs including properties of porous media, fluid properties and well controls, and predicts the temporal-spatial evolution of the state variables (pressure and saturation). While maintaining the continuity of fluid flow, the 3D spatial domain is decomposed into 2D images for reducing training cost, and the decomposition results in an increased number of training data samples and better training efficiency. Additionally, a surrogate model is separately constructed as a postprocessor to calculate well flow rate based on the predictions of state variables from the deep learning model. We use the example of CO 2 injection into saline aquifers, and apply the physics-constrained deep learning model that is trained from physics-based simulation data and emulates the physics process. The model performs prediction with a speedup of ~ 1400 times compared to physics-based simulations, and the average temporal errors of predicted pressure and saturation plumes are 0.27% and 0.099% respectively. Furthermore, water production rate is efficiently predicted by a surrogate model for well flow rate, with a mean error less than 5%. Therefore, with its unique scheme to cope with the fidelity in fluid flow in porous media, the physics-constrained deep learning model can become an efficient predictive model for computationally demanding inverse problems or other coupled processes.

58 GEOSCIENCES↗

Methods for Computing Physically Realistic Estimates of Electric Water Heater Demand Response Resource Suitable for Bulk Power System Planning Models

Demand response is commonly called on to reduce load during system peak times or to respond to contingency events. In future power systems with higher shares of wind and solar generation (which we describe together as variable generation [VG]), demand response could have more opportunities to provide energy shifting or operating reserve services. This report evaluates the ability of residential electric water heaters, both electric resistance water heaters (ERWHs) and heat pump water heaters (HPWHs), to provide such services starting from detailed whole-building energy models that realistically represent New England single family home stock. We use a parsimonious surrogate model to represent operational flexibility in a form suitable for linear and mixed integer programming. This enables relatively fast determination of aggregate contingency reserve resource, price-taking energy shifting outcomes, and in some cases the determination of aggregate models at the megawatt (MW) scale that can be directly included in large-scale grid models. After selecting modeling methods and parameters through various computational experiments, we find interquartile ranges of contingency reserve resource in ISO-NE for about 603,400 ERWHs of 45 MW - 69 MW for Claim10 (50 minute responses provided with 10 minutes of advanced notification) and 65 MW - 102 MW for Claim30 (30 minute responses provided with 30 minutes of advanced notification), and for about 619,000 HPWHs of 48 MW - 88 MW for Claim10 and 52 MW - 90 MW for Claim30. The overall reserve resource is up to 32% of total load for ERWHs providing Claim10 service, 47% for ERWHs providing Claim30 service, 93% for HPWHs providing Claim10 service, and 97% for HPWHs providing Claim30 service. More work is required to determine if HPWHs are inherently more suitable than ERWHs for providing contingency reserve or if these results reflect idiosyncrasies of the single family home stock model used in this study. The value of this contingency resource in a Near-term VG model of ISO-NE is $\$ 0.40$ to $\$1.20$ per water heater-year, and significantly larger, $\$ 3.80$ to $\$ 5.30$ per water heater-year in a Mid-term VG model of ISONE. Aggregating surrogate models to the MW-scale for energy shifting service is more challenging than for contingency service and we only present such results for ERWHs, because we were unable to determine satisfactory ways to deal with HPWHs' time-varying and path dependent operational characteristics. Individual surrogate models suitable for evaluating the energy shifting resource from both ERWHs and HPWHs are created, however, and dispatched against day-ahead prices from the Near-Term VG and Mid-Term VG models of ISO-NE. The individual surrogate models are able to access and potentially shift all 640 GWh of HPWH load and 1,547 GWh of ERWH load we modeled in two different single family home stock models. In contrast, the most effective model of aggregate ERWH shifting resource we created only captured 34.7% of the total ERWH load. Energy shifting affected by price-taking dispatch against modeled day-ahead energy prices produces per water heater year profits of $\$19.44$ - $\$22.93$ for individual HPWHs, $\$39.11$ - $\$40.54$ for individual ERWHs, and up to $\$4.00$ - $\$4.24$ for aggregated ERWHs, with the variations mainly due to grid conditions (more or less VG). When the supply-side response to these changes is accounted for, the per water heater year production cost savings for ISO-NE are $\$7.50$ to $\$17.70$ for the most effective set of endogenously dispatched aggregate ERWHs, $\$15.60$ to $\$15.70$ for individual ERWHs dispatched against the DA prices, and $\$10.70$ to $\$11.20$ for individual HPWHs dispatched against DA prices. Those ranges primarily represent the difference between Near-Term VG and Mid-Term VG grid conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Deployment and Evaluation of SciStream on OLCF's Advanced Computing Ecosystem (ACE)

The growing demand for real-time analysis, experimental steering, and decision-making in scientific workflows has created a need for tightly coupled integrations between experimental facilities and high-performance computing (HPC) systems. The Department of Energy’s Integrated Research Infrastructure (IRI) initiative highlights data streaming as a key capability for enabling memory-to-memory data transfers, bypassing the limitations of traditional store-and-forward models. SciStream is a toolkit developed by researchers at Argonne National Laboratory (ANL) to support such streaming by addressing cross-domain security, delegated authentication, and application transparency. We deployed and evaluated SciStream on the Oak Ridge Leadership Computing Facility’s (OLCF) Advanced Computing Ecosystem (ACE) infrastructure, leveraging the Olivine OpenShift cluster and its high-bandwidth Data Streaming Nodes (DSNs) as gateway nodes. Our evaluation included synthetic streaming workloads derived from IRI science workflows, a streaming simulator, and integration with RabbitMQ to handle low-level messaging. This report documents the deployment process, performance evaluation, and challenges encountered, along with opportunities for future improvements.

97 MATHEMATICS AND COMPUTING↗

Dynamic Distribution of High-Rate Data Processing from CERN to Remote HPC Data Centers

The prompt reconstruction of the data recorded from the Large Hadron Collider (LHC) detectors has always been addressed by dedicated resources at the CERN Tier-0. Such workloads come in spikes due to the nature of the operation of the accelerator and in special high load occasions experiments have commissioned methods to distribute (spill-over) a fraction of the load to sites outside CERN. The present work demonstrates a new way of supporting the Tier-0 environment by provisioning resources elastically for such spilled-over workflows onto the Piz Daint Supercomputer at CSCS. Furthermore, this is implemented using containers, tuning the existing batch scheduler and reinforcing the scratch file system, while still using standard Grid middleware. ATLAS, CMS and CSCS have jointly run selected prompt data reconstruction on up to several thousand cores on Piz Daint into a shared environment, thereby probing the viability of the CSCS high performance computer site as on demand extension of the CERN Tier-0, which could play a role in addressing the future LHC computing challenges for the high luminosity LHC.

97 MATHEMATICS AND COMPUTING↗

2020 Budget Request for the DOE Computational Science Graduate Fellowship (CSGF) Grant

The Department of Energy Computational Science Graduate Fellowship (DOE CSGF) is essential for addressing the increasingly complex national workforce demands stemming from the growth of computational science and engineering challenges. Computational science and engineering (CSE) takes a multidisciplinary approach that utilizes scientific computing to tackle practical problems and provide technical tools across the spectrum of scientific discovery. The DOE CSGF specifically highlights high-performance computing (HPC) as a critical enabling technology in CSE, driving advancements in science and engineering that are vital to both the DOE and the broader economy. Over the past half-century, HPC has been an essential tool for DOE’s success. During this period, important missions, such as nuclear stockpile stewardship, have turned to HPC as an essential technology. Entire science disciplines have been transformed through the augmentation of scientific observation via HPC. At government laboratories, academic institutions, and in industry, DOE CSGF alumni are helping push traditional HPC boundaries while contributing to discoveries in high-energy physics, quantum information systems, fusion-reactor design, machine learning, additive manufacturing, nano materials for next-generation batteries and transistors, and advanced nuclear reactor modeling. In addition, HPC is used to address national health needs that will eventually point to cures both by helping cancer researchers manage and analyze huge troves of data, by simulating biological mechanisms, and by accelerating drug development. A 2023 report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR office, “Can the United States Maintain Its Leadership in High-Performance Computing?” says of the Program, “The CSGF program provides a barometer for disciplines that will be of interest to future DOE computing. Computational biology, machine learning, and quantum computing are among the subjects that began to swell in the ranks of CSGF applicants before the labs were hiring as high a percentage of employees in these categories.” The explosion of scientific and technological data has heightened the demand for advanced high-performance computing (HPC) to transform these data into meaningful scientific insights. As access to vast amounts of data increases, the fields of Machine Learning and Artificial Intelligence are experiencing a resurgence, enhancing the established practices of computational modeling and simulation. In its September 2020 subcommittee report on "AI/ML, Data Intensive Science, and High-Performance Computing," the DOE Advanced Scientific Computing Advisory Committee (ASCAC) specifically called for a fellowship program to train computational and data scientists to address exascale and data-intensive computing challenges. This integration of empirical and theoretical modeling will increasingly guide federal policymakers in making decisions that impact American society and future generations. It demands a workforce of highly skilled and intellectually agile computational scientists capable of navigating the rapid advancements in scientific computing within the DOE National Laboratory research environment. The DOE CSGF program has consistently addressed this critical need.

97 MATHEMATICS AND COMPUTING↗

Solving Unit Commitment Problems with Demand Responsive Loads

This work focuses on using variations of the Frank-Wolfe (FW) algorithm for solving unit commitment problems with high volumes of demand responsive loads on the power grid. We present a formulation of the unit commitment problem with demand responsive loads. We then show through reformulation and relaxations of the problem that variations of the Frank-Wolfe algorithm can be used to determine the time series decisions for the demand responsive loads. We show through computational experiments on the IEEE Reliability Test System that the timeseries of demand responsive load decisions obtained through our approach are near optimal and describe how large-scale parallel implementations of our approach can be highly computationally efficient.

demand response↗

Computational Math Problems for a Clean Energy Future

Cutting edge computational mathematics are ubiquitous in renewable energy research. Problems in resilient and reliable electric grid operations, infrastructure planning, wind farm yaw control, and more demand sophisticated and scalable computational tools that enable the transition of renewable energy technologies from proof of concept to deployment into our energy system. The mission of the Computational Science Center at NREL is to lead the lab's efforts to solve energy challenges using high-performance computing (HPC), computational science, applied mathematics, scientific data management, visualization, and informatics. In this poster, we provide a short overview of three areas of computational mathematics research at NREL: wind power scenario generation for stochastic grid operations and infrastructure planning, improved rational function approximations for electromagnetic transients codes, and wind farm yaw control using a combination of the Alternating Direction Method of Multipliers (ADMM) and reinforcement learning (RL). Increasing penetrations of renewable energy into power grids motivate the investigation of new approaches to characterizing uncertainty for five-minute economic dispatch problems. Similarly, as the penetration of distributed energy resources on power grids increases, it becomes important to revisit our methods of modelling transient phenomena, i.e. electromagnetic transients programs. Finally, the combination of ADMM and RL for wind farm yaw control presented here can potentially increase the efficiency of the deployed distributed controllers by orders of magnitude.

ADMM↗

The Locus Algorithm III: A Grid Computing system to generate catalogues of optimised pointings for Differential Photometry

This paper discusses the hardware and software components of the Grid Computing system used to implement the Locus Algorithm to identify optimum pointings for differential photometry of 61,662,376 stars and 23,799 quasars. The scale of the data, together with initial operational assessments demanded a High Performance Computing (HPC) system to complete the data analysis. Grid computing was chosen as the HPC solution as the optimum choice available within this project. The physical and logical structure of the National Grid computing Infrastructure informed the approach that was taken. That approach was one of layered separation of the different project components to enable maximum flexibility and extensibility.

Creaner, Oisń↗

Data Center Immersion Cooling: A Case Study and Summary of High-Performance Computing Cooling Technologies

The future of High Performance Computing (HPC) is carved out for all high-performance facilities. As computer processing increases exponentially, especially with the demand for AI training, more speed will equate to more computing density and ultimately more power draw and resource demand. Sandia National Laboratories has not seen or known of anything that would lead us to think this might change in the next 5 to 10 years.

97 MATHEMATICS AND COMPUTING↗

Accelerating science: The usage of commercial clouds in ATLAS Distributed Computing

The ATLAS experiment at CERN is one of the largest scientific machines built to date and will have ever growing computing needs as the Large Hadron Collider collects an increasingly larger volume of data over the next 20 years. ATLAS is conducting R&D projects on Amazon Web Services and Google Cloud as complementary resources for distributed computing, focusing on some of the key features of commercial clouds: lightweight operation, elasticity and availability of multiple chip architectures. The proof of concept phases have concluded with the cloud-native, vendoragnostic integration with the experiment’s data and workload management frameworks. Google Cloud has been used to evaluate elastic batch computing, ramping up ephemeral clusters of up to O(100k) cores to process tasks requiring quick turnaround. Amazon Web Services has been exploited for the successful physics validation of the Athena simulation software on ARM processors. We have also set up an interactive facility for physics analysis allowing endusers to spin up private, on-demand clusters for parallel computing with up to 4 000 cores, or run GPU enabled notebooks and jobs for machine learning applications. The success of the proof of concept phases has led to the extension of the Google Cloud project, where ATLAS will study the total cost of ownership of a production cloud site during 15 months with 10k cores on average, fully integrated with distributed grid computing resources and continue the R&D projects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

High Energy Physics Network Requirements Review: Final Report, July 2024–December 2024

The world-class research infrastructure at the US Department of Energy (DOE) Office of Science (SC) provides the research community with premier observational, experimental, computational, and network capabilities. Each user facility is designed to provide unique capabilities to advance the core DOE mission in science and technology for its SC program to stimulate rich scientific discoveries and enhance its innovation ecosystem. Research communities gather and flourish around each user facility, bringing together new and enhanced perspectives. The continual reinvention of the practice of science — as users and staff forge novel approaches expressed in research workflows — unlocks new discoveries and propels scientific progress. Within this research ecosystem, the high-performance computing (HPC) and networking user facilities stewarded by the SC’s Advanced Scientific Computing Research (ASCR) program play a dynamic cross-cutting role, enabling complex workflows demanding high-performance data, networking, and computing solutions. The ASCR facilities enterprise seeks to understand and meet the needs and requirements across SC and DOE domain science programs and priority efforts, highlighted by the formal requirements review methodology. Between July and December 2024, the Energy Sciences Network (ESnet) and the Office of High Energy Physics (HEP) of the DOE-SC organized an ESnet requirements review of HEP-supported program activities. Preparation for these events included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about its relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Solving Unit Commitment Problems with Demand Responsive Loads: Preprint

This paper focuses on using variations of the Frank-Wolfe algorithm for solving unit commitment problems with high volumes of demand responsive loads on the power grid. We present a formulation of the unit commitment problem with demand responsive loads. We then show through reformulation and relaxations of the problem that variations of the Frank-Wolfe algorithm can be used to determine the time series decisions for the demand responsive loads. We show through computational experiments on the RTS-GMLC test system that the time series of demand responsive load decisions obtained through our approach are near optimal and provide details regarding how large scale parallel implementations of our approach can be highly computationally efficient.

demand response↗

National Transmission Planning Study - Long-Term Modeling Results

The National Transmission Planning Study (NTP Study) analyzed the transformation needed to ensure the U.S. transmission system continues to reliably meet electricity demand as the power sector evolves. The study linked several long- and short-term power systems models to test numerous interregional and regional transmission buildout scenarios. The results included in this dataset are from the long-term capacity expansion modeling, completed with NREL's ReEDS model. This includes nearly 100 future transmission scenarios with a wide range of economic, reliability, and resilience conditions. The dataset includes all the results visualized in the Tableau Public site, as linked below.

Array↗

Learning Constrained Parametric Differentiable Predictive Control Policies With Guarantees

We present differentiable predictive control (DPC), a method for offline learning of constrained neural control policies for nonlinear dynamical systems with performance guarantees. We show that the sensitivities of the parametric optimal control problem can be used to obtain direct policy gradients. Specifically, we employ automatic differentiation (AD) to efficiently compute the sensitivities of the model predictive control (MPC) objective function and constraints penalties. To guarantee safety upon deployment, we derive probabilistic guarantees on closed-loop stability and constraint satisfaction based on indicator functions and Hoeffding’s inequality. We empirically demonstrate that the proposed method can learn neural control policies for various parametric optimal control tasks. In particular, we show that the proposed DPC method can stabilize systems with unstable dynamics, track time-varying references, and satisfy nonlinear state and input constraints. Our DPC method has practical time savings compared to alternative approaches for fast and memory-efficient controller design. Specifically, DPC does not depend on a supervisory controller as opposed to approximate MPC based on imitation learning. We demonstrate that, without losing performance, DPC is scalable with greatly reduced demands on memory and computation compared to implicit and explicit MPC while being more sample efficient than model-free reinforcement learning (RL) algorithms.

97 MATHEMATICS AND COMPUTING↗

Powered by dsgrid [Slides]

NREL's demand-side grid (dsgrid) toolkit harnesses decades of sector-specific energy modeling expertise to understand current and future U.S. electricity load for power systems analyses. The primary purpose of dsgrid is to create comprehensive electricity load data sets at high temporal, geographic, sectoral, and end-use resolution. These data sets enable detailed analyses of current patterns and future projections of end-use loads. This presentation will include NREL power grid researcher Elaine Hale.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Demand-Side Grid (dsgrid) TEMPO Light-Duty Vehicle Charging Profiles v2022

Simulated hourly electric vehicle charging profiles for light-duty household passenger vehicles in the contiguous United States, 2018-2050. Profiles are differentiated by scenario, county, household and vehicle types, and charging type. Data was produced in 2022 using the Transportation Energy & Mobility Pathway Options (TEMPO) model and published in demand-side grid (dsgrid) toolkit format. Data are available for three adoption scenarios: "AEO Reference Case", which is aligned with the U.S. EIA Annual Energy Outlook 2018 (linked below), "EFS High Electrification", which is aligned with the High Electrification scenario of the Electrification Futures Study (linked below), and "All EV Sales by 2035", which assumes that average passenger light-duty EV sales reach 50% in 2030 and 100% in 2035. The charging shapes are derived from two key assumptions of which data users should be aware: "ubiquitous charger access", meaning that drivers of vehicles are assumed to have access to a charger whenever a trip is not in progress, and "immediate charging", meaning that immediately after trip completion, vehicles are plugged in and charge until they are either fully recharged or taken on another trip. These assumptions result in a bounding case in which vehicles' state of charge is maximized at all times. This bounding case would minimize range anxiety, but is unrealistic from the point of view of both electric vehicle service equipment (EVSE) (i.e., charger) access, and plug-in behavior as it can result in dozens of charging sessions per week for battery electric vehicles (BEVs) that in reality are often only plugged in a few times per week.

Array↗