Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “computational challenges”

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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

CFD Validation Study of a Hypersonic Cone-Slice-Flap Variable Geometry Configuration

Model validation is the process of determining the degree of accuracy between physical reality and the model. The result of model validation can either be used to improve the model through calibration or quantify the model-form uncertainty. This work focuses on providing the model-form uncertainty through an area metric for a hypersonic cone-slice-flap variable geometry configuration given uncertainty in both the simulation and experimental data. The research here compares two different turbulence models for the simulations. For a variable geometry, performing uncertainty quantification to capture the model-form uncertainty on every configuration is computationally challenging. This work lays out a procedure that can give an accurate representation of the model-form uncertainty using a small number of high-fidelity runs and many low-fidelity runs on multiple configurations. Running this comparison provides a quantifiable measurement for the accuracy of each turbulence model for this type of design. The high-fidelity CFD solver used was VULCAN-CFD and the low-fidelity results came from Cart3D. The experimental data came from the 20-Inch Mach 6 Tunnel located at NASA Langley Research Center. The present work showed that the using both the Spalart and Allamaras and Menter Shear-Stress Transport turbulence models overpredicted the drag and lift coefficient, while underpredicting the pitching moment coefficient. The model-form uncertainty estimate resulted in up to a 13.6% change in the total uncertainty for the drag coefficient, up to a 57.4% change in total uncertainty for the lift coefficient, and up to a 100% change in total uncertainty for the pitching moment coefficient.

Laura M. White↗
NASA NTRSDate not supplied

CFD Validation Study of a Hypersonic Cone-Slice-Flap Variable Geometry Configuration

Model validation is the process of determining the degree of accuracy between physical reality and the model. The result of model validation can either be used to improve the model through calibration or quantify the model-form uncertainty. This work focuses on providing the model-form uncertainty through an area metric for a hypersonic cone-slice-flap variable geometry configuration given uncertainty in both the simulation and experimental data. For a variable geometry, performing uncertainty quantification to capture the model-form uncertainty on every configuration is computationally challenging. This work lays out a procedure that can give an accurate representation of the model-form uncertainty using a small number of high-fidelity runs and many low-fidelity runs on multiple configurations. Running this comparison provides a quantifiable measurement for the accuracy of each turbulence model for this type of design. The high-fidelity CFD solver used was VULCAN-CFD and the low-fidelity results came from Cart3D. The experimental data came from the 20-Inch Mach 6 Tunnel located at NASA Langley Research Center. The present work showed that the turbulence simulation overpredicted the drag and lift coefficient, while underpredicting the pitching moment coefficient. The model-form uncertainty estimate resulted up to a 13.6% change in the total uncertainty for the drag coefficient, up to a 57.4% change in total uncertainty for the lift coefficient, and up to a 100% change in total uncertainty for the pitching moment coefficient.

Laura White↗
NASA NTRS2024

Assessing Effects of Climate and Technology Uncertainties in Large Natural Resource Allocation Problems

The productivity of the world's natural resources is critically dependent on a variety of highly uncertain factors, which obscure individual investors and governments that seek to make long-term, sometimes irreversible, investments in their exploration and utilization. These dynamic considerations are poorly represented in disaggregated resource models, as incorporating uncertainty into large-dimensional problems presents a challenging computational task. In this paper, we apply the SCEQ algorithm (Cai and Judd, 2023) to solve a large-scale dynamic stochastic global land resource use problem with stochastic crop yields due to adverse climate impacts and limits on further technological progress. For the same model parameters and bounded shocks, the range of land conversion is considerably smaller for the dynamic stochastic model than for deterministic scenario analysis.

numerical methods↗
DOE OSTI2013

Supercomputer Assisted Generation of Machine Learning Agents for the Calibration of Building Energy Models

Building Energy Modeling (BEM) is an approach to model the energy usage in buildings for design and retrot pur- poses. EnergyPlus is the agship Department of Energy software that performs BEM for dierent types of buildings. The input to EnergyPlus can often extend in the order of a few thousand parameters which have to be calibrated manu- ally by an expert for realistic energy modeling. This makes it challenging and expensive thereby making building en- ergy modeling unfeasible for smaller projects. In this paper, we describe the \Autotune" research which employs machine learning algorithms to generate agents for the dierent kinds of standard reference buildings in the U.S. building stock. The parametric space and the variety of building locations and types make this a challenging computational problem necessitating the use of supercomputers. Millions of En- ergyPlus simulations are run on supercomputers which are subsequently used to train machine learning algorithms to generate agents. These agents, once created, can then run in a fraction of the time thereby allowing cost-eective cali- bration of building models.

autotune↗
DOE OSTI2015

Enabling Graph Appliance for Genome Assembly

In recent years, there has been a huge growth in the amount of genomic data available as reads generated from various genome sequencers. The number of reads generated can be huge, ranging from hundreds to billions of nucleotide, each varying in size. Assembling such large amounts of data is one of the challenging computational problems for both biomedical and data scientists. Most of the genome assemblers developed have used de Bruijn graph techniques. A de Bruijn graph represents a collection of read sequences by billions of vertices and edges, which require large amounts of memory and computational power to store and process. This is the major drawback to de Bruijn graph assembly. Massively parallel, multi-threaded, shared memory systems can be leveraged to overcome some of these issues. The objective of our research is to investigate the feasibility and scalability issues of de Bruijn graph assembly on Cray s Urika-GD system; Urika-GD is a high performance graph appliance with a large shared memory and massively multithreaded custom processor designed for executing SPARQL queries over large-scale RDF data sets. However, to the best of our knowledge, there is no research on representing a de Bruijn graph as an RDF graph or finding Eulerian paths in RDF graphs using SPARQL for potential genome discovery. In this paper, we address the issues involved in representing a de Bruin graphs as RDF graphs and propose an iterative querying approach for finding Eulerian paths in large RDF graphs. We evaluate the performance of our implementation on real world ebola genome datasets and illustrate how genome assembly can be accomplished with Urika-GD using iterative SPARQL queries.

Big data↗
DOE OSTI2016

Learning to REDUCE: A Reduced Electricity Consumption Prediction Ensemble

Utilities use Demand Response (DR) to balance supply and demand in the electric grid by involving customers in efforts to reduce electricity consumption during peak periods. To implement and adapt DR under dynamically changing conditions of the grid, reliable prediction of reduced consumption is critical. However, despite the wealth of research on electricity consumption prediction and DR being long in practice, the problem of reduced consumption prediction remains largely un-addressed. In this paper, we identify unique computational challenges associated with the prediction of reduced consumption and contrast this to that of normal consumption and DR baseline prediction.We propose a novel ensemble model that leverages different sequences of daily electricity consumption on DR event days as well as contextual attributes for reduced consumption prediction. We demonstrate the success of our model on a large, real-world, high resolution dataset from a university microgrid comprising of over 950 DR events across a diverse set of 32 buildings. Our model achieves an average error of 13.5%, an 8.8% improvement over the baseline. Our work is particularly relevant for buildings where electricity consumption is not tied to strict schedules. Our results and insights should prove useful to the researchers and practitioners working in the sustainable energy domain.

Aman, Saima↗
DOE OSTI2019

Parallelized Kalman-Filter-Based Reconstruction of Particle Tracks on Many-Core Architectures with the CMS Detector

In the High-Luminosity Large Hadron Collider (HL-LHC), one of the most challenging computational problems is expected to be finding and fitting charged-particle tracks during event reconstruction. The methods currently in use at the LHC are based on the Kalman filter. Such methods have shown to be robust and to provide good physics performance, both in the trigger and offline. In order to improve computational performance, we explored Kalman-filter-based methods for track finding and fitting, adapted for many-core SIMD and SIMT architectures. Our adapted Kalman-filter-based software has obtained significant parallel speedups using such processors, e.g., Intel Xeon Phi, Intel Xeon SP (Scalable Processors) and (to a limited degree) NVIDIA GPUs. Recently, an effort has started towards the integration of our software into the CMS software framework, in view of its exploitation for the Run III of the LHC. Prior reports have shown that our software allows in fact for some significant improvements over the existing framework in terms of computational performance with comparable physics performance, even when applied to realistic detector configurations and event complexity. Here, we demonstrate that in such conditions physics performance can be further improved with respect to our prior reports, while retaining the improvements in computational performance, by making use of the knowledge of the detector and its geometry.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Speeding up Particle Track Reconstruction in the CMS Detector using a Vectorized and Parallelized Kalman Filter Algorithm

Building particle tracks is the most computationally intense step of event reconstruction at the LHC. With the increased instantaneous luminosity and associated increase in pileup expected from the High-Luminosity LHC, the computational challenge of track finding and fitting requires novel solutions. The current track reconstruction algorithms used at the LHC are based on Kalman filter methods that achieve good physics performance. By adapting the Kalman filter techniques for use on many-core SIMD architectures such as the Intel Xeon and Intel Xeon Phi and (to a limited degree) NVIDIA GPUs, we are able to obtain significant speedups and comparable physics performance. New optimizations, including a dedicated post-processing step to remove duplicate tracks, have improved the algorithm's performance even further. Here we report on the current structure and performance of the code and future plans for the algorithm.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Wind Energy Modeling and Simulation, Volume 1: Atmosphere and Plant

In order to optimise the yield of wind power from existing and future wind plants, the entire breadth of the system of a plant, from the wind field to the turbine components, needs to be modelled in the design process. The modelling and simulation approaches used in each subsystem as well as the system-wide solution methods to optimize across subsystem boundaries are described in this reference. Chapters are written by technical experts in each field, describing the current state of the art in modelling and simulation for wind plant design. This comprehensive, two-volume research reference will provide long-lasting insight into the methods that will need to be developed for the technology to advance into its next generation. Volume 1 covers the computing challenges in full turbine modelling, then discusses bridging scales in the atmosphere and turbulence modelling, wind forecasting, wind plant flow, and plant level controller design.

17 WIND ENERGY↗
DOE OSTI2020

Higher-order phonon scattering: advancing the quantum theory of phonon linewidth, thermal conductivity and thermal radiative properties

Phonon scattering plays a central role in the quantum theory of phonon linewidth, which in turn governs important properties including infrared spectra, Raman spectra, lattice thermal conductivity, thermal radiative properties, and also signifi- cantly affects other important processes such as hot electron relaxation. Since Maradudin and Fein’s classic work in 1962, three-phonon scattering had been considered as the dominant intrinsic phonon scattering mechanism and has seen tremendous advances. However, the role of the higher-order four-phonon scattering had been persistently unclear and so was ignored. The tremendous complexity of the formalism and computational challenges stood in the way, prohibiting the direct and quantitative treatment of four-phonon scattering. In 2016, a rigorous four-phonon scattering formalism was developed, and the prediction was realized using empirical potentials. In 2017, the method was extended using first-principles calculated force constants, and the thermal conductivities of boron arsenides (BAs), Si and diamond were predicted. The predictions for BAs were later confirmed by several independent experiments. Four-phonon scattering has since been investigated in a range of materials and established as an important intrinsic scattering mechanism for thermal transport and radiative properties. Specifically, four-phonon scattering is important when the fourth-order scattering potential or phase space becomes relatively large. The former scenario includes: (i) nearly all materials when the temperature is high; (ii) strongly anharmonic (low thermal conductivity) materials, including most rocksalt compounds, halides, hydrides, chalcogenides and oxides. The latter scenario includes: (iii) materials with large acoustic–optical phonon band gaps, such as XY compounds with a large atomic mass ratio between X and Y; (iv) two- dimensional materials with reflection symmetry, such as single-layer graphene, single-layer boron nitride and carbon nanotubes; and (v) phonons with a large density of states, such as optical phonons, which are important for Raman, infrared and thermal radiative properties. Four-phonon scattering is expected to gain broad interest in various technologically important materials for thermoelectrics, thermal barrier coatings, thermal energy storage, phase change, nuclear power, ultra-high temperature ceramics, infrared spectra, Raman spectra, radiative transport, hot electron relaxation and radiative cooling. Four-phonon scattering has been, and will continue to be, established as an important intrinsic phonon scattering mechanism beyond three-phonon scattering. The prediction of four-phonon scattering will transition from a breakthrough to a new routine in the next decade.

Feng, Tianli↗
DOE OSTI2020

Do optimization methods in deep learning applications matter?

With advances in deep learning, exponential data growth and increasing model complexity, developing efficient optimization methods are attracting much research attention. Several implementations favor the use of Conjugate Gradient (CG) and Stochastic Gradient Descent (SGD) as being practical and elegant solutions to achieve quick convergence, however, these optimization processes also present many limitations in learning across deep learning applications. Recent research is exploring higher-order optimization functions as better approaches, but these present very complex computational challenges for practical use. Comparing first and higher-order optimization functions, in this paper, our experiments reveal that Levemberg-Marquardt (LM) significantly supersedes optimal convergence but suffers from very large processing time increasing the training complexity of both, classification and reinforcement learning problems. Our experiments compare off-the-shelf optimization functions(CG, SGD, LM and L-BFGS) in standard CIFAR, MNIST, CartPole and FlappyBird experiments.The paper presents arguments on which optimization functions to use and further, which functions would benefit from parallelization efforts to improve pretraining time and learning rate convergence.

Ozyildirim, Buse Melis↗
DOE OSTI2012

An EPGPT-based approach for uncertainty quantification

Generalized Perturbation Theory (GPT) has been widely used by many scientific disciplines to perform sensitivity analysis and uncertainty quantification. This manuscript employs recent developments in GPT theory, collectively referred to as Exact-to-Precision Generalized Perturbation Theory (EPGPT), to enable uncertainty quantification for computationally challenging models, e.g. nonlinear models associated with many input parameters and many output responses and with general non-Gaussian parameters distributions. The core difference between EPGPT and existing GPT is in the way the problem is formulated. GPT formulates an adjoint problem that is dependent on the response of interest. It tries to capture via the adjoint solution the relationship between the response of interest and the constraints on the state variations. EPGPT recasts the problem in terms of a smaller set of what is referred to as the 'active' responses which are solely dependent on the physics model and the boundary and initial conditions rather than on the responses of interest. The objective of this work is to apply an EPGPT methodology to propagate cross-sections variations in typical reactor design calculations. The goal is to illustrate its use and the associated impact for situations where the typical Gaussian assumption for parameters uncertainties is not valid and when nonlinear behavior must be considered. To allow this demonstration, exaggerated variations will be employed to stimulate nonlinear behavior in simple prototypical neutronics models. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Generalization of NESTLE into a Multi-Energy N-Group Formulation

The NESTLE code is a few-group, diffusion-based core simulation code that employs the Nodal Expansion Method (NEM). NESTLE has the capability to solve both steady-state and transient problems, using either Cartesian or hexagonal geometry, and to apply thermal-hydraulic feedback including single and two-phase flow. A modern version of the NESTLE nodal-diffusion simulator is currently maintained and developed at the University of Tennessee. The original version of the code was limited to only two or four neutron energy groups, therefore, this article describes recent work carried out to expand NESTLE into a general multi-group solver. Generalization of a fixed group finite-difference diffusion theory into arbitrary N groups is a well-known problem [3], however, this paper describes the intricacies associated with the generalization of the Nodal Expansion Method, and the methodical and computational challenges encountered and managed along the way.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Graph Neural Network-based Tracking as a Service

Recent studies have shown promising results for track finding in dense environments using Graph Neural Network (GNN)-based algorithms. However, GNN-based track finding is computationally slow on CPUs, necessitating the use of coprocessors to accelerate the inference time. Additionally, the large input graph size demands a large device memory for efficient computation, a requirement not met by all computing facilities used for particle physics experiments, particularly those lacking advanced GPUs. Furthermore, deploying the GNN-based track-finding algorithm in a production environment requires the installation of all dependent software packages, exclusively utilized by this algorithm. These computing challenges must be addressed for the successful implementation of GNN-based track-finding algorithm into production settings. In response, we introduce a ``GNN-based tracking as a service'' approach, incorporating a custom backend within the NVIDIA Triton inference server to facilitate GNN-based tracking. This paper presents the performance of this approach using the Perlmutter supercomputer at NERSC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Thermal feedback coupling in a transient Monte Carlo high-order/low-order scheme

Transient simulations of nuclear systems face the computational challenge of resolving both space and time during reactivity changes. A common strategy for tackling this issue is to split the neutron flux into shape and amplitude functions. This split can be solved with high- order/low-order methods. While this multi-fidelity approach has traditionally been reserved for deterministic methods, it is also possible to implement in Monte Carlo as an efficient alternative to Dynamic Monte Carlo. This work implements the frequency transform method with thermal feedback in high-order/low-order Monte Carlo by blending static coupling methods such as single-batch Monte Carlo, with a simple thermal-fluids calculation. While previous work focused solely on prescribed transients, the addition of time-dependent thermal-fluids allows transients to be self-propagating. Tests were run in a fluids-initiated transient to showcase the basic functionalities of this methodology. Preliminary results behave as expected, paving the way for studying more sophisticated thermal-fluids coupling methods. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

ZEUS: An Efficient GPU Optimization Method Integrating PSO, BFGS, and Automatic Differentiation

We introduce a novel, efficient computational method, ZEUS, for numerical optimization, and provide an open-source implementation. It has four key ingredients: (1) particle swarm optimization (PSO), (2) the use of the Broyden-Fletcher-Goldfarb-Shanno (BFGS) method, (3) automatic differentiation (AD), and (4) GPUs. Our approach addresses the computational challenges inherent in high-dimensional, non-convex optimization problems. In the first phase of the algorithm, we get a potentially good set of starting points using PSO. Thereafter, we run BFGS independently in parallel from these starting points. BFGS is one of the best-performing algorithms for numerical optimization. However, it requires the gradient of the function being optimized. ZEUS integrates automatic differentiation into BFGS thus avoiding the need for the user to calculate derivatives explicitly. The use of GPUs allows ZEUS to speed up the calculations substantially. We carry out systematic studies to explore the trade-offs between the number of PSO iterations taken, starting points, and BFGS iteration depth. We show that a handful of iterations of PSO can improve global convergence when combined with BFGS. We also present performance studies using common test functions. The source code can be found at https://github.com/fnal-numerics/global-optimizer-gpu.

Soos, Dominik [Old Dominion U.]↗
DOE OSTI2026

Integrated Transmission-Distribution Multi-Period Switching for Wildfire Risk Mitigation: Improving Speed and Scalability with Distributed Optimization: Preprint

With increasingly severe wildfire conditions driven by climate change, utilities must manage the risk of wildfire ignitions from electric power lines. During "public safety power shutoff'" events, utilities de-energize power lines to reduce wildfire ignition risk, which may result in load shedding. Distributed energy resources provide flexibility that can help support the system to reduce load shedding when lines are de-energized. We investigate a coordinated transmission-distribution optimization problem that balances wildfire risk mitigation and load shedding. We model distribution systems that include battery energy storage systems which may support loads when transmission lines are de-energized. This multi-period integrated transmission-distribution optimal switching problem jointly optimizes line switching decisions, the generators' setpoints, load shedding, and the batteries' states of charge, resulting in significant computational challenges. To improve scalability, we decompose the problem over both space and time and apply a distributed optimization algorithm. Using a large-scale synthetic California test case with realistic distribution models and real wildfire risk data, we show that distributed optimization can solve large-scale multi-period switching problems that are otherwise intractable for centralized solvers. We also discuss challenges and future directions for improving the distributed algorithm's convergence performance as the number of time periods increases.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2003

Computational Aeroelasticity: Success, Progress, Challenge

The formal term Computational Aeroelasticity (CAE) has only been recently adopted to describe aeroelastic analysis methods coupling high-level computational fluid dynamics codes with structural dynamics techniques. However, the general field of aeroelastic computations has enjoyed a rich history of development and application since the first hand-calculations performed in the mid 1930 s. This paper portrays a much broader definition of Computational Aeroelasticity; one that encompasses all levels of aeroelastic computation from the simplest linear aerodynamic modeling to the highest levels of viscous unsteady aerodynamics, from the most basic linear beam structural models to state-of-the-art Finite Element Model (FEM) structural analysis. This paper is not written as a comprehensive history of CAE, but rather serves to review the development and application of aeroelastic analysis methods. It describes techniques and example applications that are viewed as relatively mature and accepted, the "successes" of CAE. Cases where CAE has been successfully applied to unique or emerging problems, but the resulting techniques have proven to be one-of-a-kind analyses or areas where the techniques have yet to evolve into a routinely applied methodology are covered as "progress" in CAE. Finally the true value of this paper is rooted in the description of problems where CAE falls short in its ability to provide relevant tools for industry, the so-called "challenges" to CAE.

Schuster, David M.↗