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At least 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Resiliency in numerical algorithm design for extreme scale simulations

Here this work is based on the seminar titled ‘Resiliency in Numerical Algorithm Design for Extreme Scale Simulations’ held March 1–6, 2020, at Schloss Dagstuhl, that was attended by all the authors. Advanced supercomputing is characterized by very high computation speeds at the cost of involving an enormous amount of resources and costs. A typical large-scale computation running for 48 h on a system consuming 20 MW, as predicted for exascale systems, would consume a million kWh, corresponding to about 100k Euro in energy cost for executing 10 23 floating-point operations. It is clearly unacceptable to lose the whole computation if any of the several million parallel processes fails during the execution. Moreover, if a single operation suffers from a bit-flip error, should the whole computation be declared invalid? What about the notion of reproducibility itself: should this core paradigm of science be revised and refined for results that are obtained by large-scale simulation? Naive versions of conventional resilience techniques will not scale to the exascale regime: with a main memory footprint of tens of Petabytes, synchronously writing checkpoint data all the way to background storage at frequent intervals will create intolerable overheads in runtime and energy consumption. Forecasts show that the mean time between failures could be lower than the time to recover from such a checkpoint, so that large calculations at scale might not make any progress if robust alternatives are not investigated. More advanced resilience techniques must be devised. The key may lie in exploiting both advanced system features as well as specific application knowledge. Research will face two essential questions: (1) what are the reliability requirements for a particular computation and (2) how do we best design the algorithms and software to meet these requirements? While the analysis of use cases can help understand the particular reliability requirements, the construction of remedies is currently wide open. One avenue would be to refine and improve on system- or application-level checkpointing and rollback strategies in the case an error is detected. Developers might use fault notification interfaces and flexible runtime systems to respond to node failures in an application-dependent fashion. Novel numerical algorithms or more stochastic computational approaches may be required to meet accuracy requirements in the face of undetectable soft errors. These ideas constituted an essential topic of the seminar. The goal of this Dagstuhl Seminar was to bring together a diverse group of scientists with expertise in exascale computing to discuss novel ways to make applications resilient against detected and undetected faults. In particular, participants explored the role that algorithms and applications play in the holistic approach needed to tackle this challenge. This article gathers a broad range of perspectives on the role of algorithms, applications and systems in achieving resilience for extreme scale simulations. The ultimate goal is to spark novel ideas and encourage the development of concrete solutions for achieving such resilience holistically.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Deep Direct-Use Feasibility Study Numerical Modeling and Uncertainty Analysis using iTOUGH2 for West Virginia University

To reduce the geothermal exploration risk, a feasibility study is performed for a deep direct-use system proposed at the West Virginia University (WVU) Morgantown campus. This study applies numerical simulations to investigate reservoir impedance and thermal production. Because of the great depth of the geothermal reservoir, few data are available to characterize reservoir features and properties. As a result, the study focuses on the following three aspects: 1. model choice for predicting reservoir impedance and thermal breakthrough: after investigating three potential models (one single permeability model and two dual permeability models) for flow through fractured rock, it is decided to use single permeability model for further analysis; 2. well placement (horizontal vs. vertical) options: horizontal well placement seems to be more robust to heterogeneity and the impedance is more acceptable; 3. Prediction uncertainty: the most influential parameters are identified using a First-Order-Second-Moment uncertainty propagation analysis, and the uncertain range of the model predictions is estimated by performing a Monte Carlo simulation. Heterogeneity has a large impact on the perdition, therefore, is considered in the predictive model and uncertainty analysis. The numerical model results and uncertainty analysis are used for economic analysis. The dataset submitted here support the described study. Manuscript is submitted to Geothermics, will be linked once paper is accepted.

15 GEOTHERMAL ENERGY↗
DOE OSTI2014

RELAP-7 Numerical Stabilization: Entropy Viscosity Method

The RELAP-7 code is the next generation nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). The code is based on the INL's modern scientific software development framework, MOOSE (Multi-Physics Object Oriented Simulation Environment). The overall design goal of RELAP-7 is to take advantage of the previous thirty years of advancements in computer architecture, software design, numerical integration methods, and physical models. The end result will be a reactor systems analysis capability that retains and improves upon RELAP5's capability and extends the analysis capability for all reactor system simulation scenarios. RELAP-7 utilizes a single phase and a novel seven-equation two-phase flow models as described in the RELAP-7 Theory Manual (INL/EXT-14-31366). The basic equation systems are hyperbolic, which generally require some type of stabilization (or artificial viscosity) to capture nonlinear discontinuities and to suppress advection-caused oscillations. This report documents one of the available options for this stabilization in RELAP-7 -- a new and novel approach known as the entropy viscosity method. Because the code is an ongoing development effort in which the physical sub models, numerics, and coding are evolving, so too must the specific details of the entropy viscosity stabilization method. Here the fundamentals of the method in their current state are presented.

42 ENGINEERING↗
DOE OSTI2017

Computational Flame Diagnostics for Direct Numerical Simulations with Detailed Chemistry of Transportation Fuels

The goal of the proposed research is to create computational flame diagnostics (CFLD) that are rigorous numerical algorithms for systematic detection of critical flame features, such as ignition, extinction, and premixed and non-premixed flamelets, and to understand the underlying physicochemical processes controlling limit flame phenomena, flame stabilization, turbulence-chemistry interactions and pollutant emissions etc. The goal has been accomplished through an integrated effort on mechanism reduction, direct numerical simulations (DNS) of flames at engine conditions and a variety of turbulent flames with transport fuels, computational diagnostics, turbulence modeling, and DNS data mining and data reduction. The computational diagnostics are primarily based on the chemical explosive mode analysis (CEMA) and a recently developed bifurcation analysis using datasets from first-principle simulations of 0-D reactors, 1-D laminar flames, and 2-D and 3-D DNS (collaboration with J.H. Chen and S. Som at Argonne, and C.S. Yoo at UNIST). Non-stiff reduced mechanisms for transportation fuels amenable for 3-D DNS are developed through graph-based methods and timescale analysis. The flame structures, stabilization mechanisms, local ignition and extinction etc., and the rate controlling chemical processes are unambiguously identified through CFLD. CEMA is further employed to segment complex turbulent flames based on the critical flame features, such as premixed reaction fronts, and to enable zone-adaptive turbulent combustion modeling.

42 ENGINEERING↗
DOE OSTI2018

Management of Digital Equipment in Preproduction by Means of Uniform Numeric Control Language

The requirements on preproduction and the control software for various digital machining systems (numerically controlled machine tools, robot manipulators, additive manufacturing equipment) in flexible production are considered. By analysis of existing programming languages for digital equipment, UNCL (Uniform Numeric Control Language) has been developed for standard representation of control commands. The use of UNCL in verifying program operation on a machining simulator is considered. Software for the translation of control programs (specified in CLDATA formats and in ISO code) to the invariant format of the universal language is described. The postprocessing of control software from the universal language into programs in commonly used digital control systems is also considered.

42 ENGINEERING↗
DOE OSTI2026

Scalable foundation models for numerical simulations on HPC platforms

In recent years, foundation models (FMs) have begun to reshape numerical simulations on high-performance computing (HPC) platforms. These large, pre-trained AI models enable rapid predictions across a broad range of physical domains, including Earth system modeling, fluid dynamics, materials science, as well as complex multi-modal simulations in aerospace engineering and fusion research. By training on diverse datasets, FMs learn intricate relationships and underlying physical behavior while also enabling the quantification of uncertainty in their predictions. This capability allows simulations that once required days of numerical calculation to be completed in minutes (FM inference), supporting real-time design optimization, uncertainty-aware decision making, and more comprehensive exploration of complex scenarios.

AI↗
DOE OSTI2021

Practical CO2—WAG Field Operational Designs Using Hybrid Numerical-Machine-Learning Approaches

Machine-learning technologies have exhibited robust competences in solving many petroleum engineering problems. The accurate predictivity and fast computational speed enable a large volume of time-consuming engineering processes such as history-matching and field development optimization. The Southwest Regional Partnership on Carbon Sequestration (SWP) project desires rigorous history-matching and multi-objective optimization processes, which fits the superiorities of the machine-learning approaches. Although the machine-learning proxy models are trained and validated before imposing to solve practical problems, the error margin would essentially introduce uncertainties to the results. In this paper, a hybrid numerical machine-learning workflow solving various optimization problems is presented. By coupling the expert machine-learning proxies with a global optimizer, the workflow successfully solves the history-matching and CO2 water alternative gas (WAG) design problem with low computational overheads. The history-matching work considers the heterogeneities of multiphase relative characteristics, and the CO2-WAG injection design takes multiple techno-economic objective functions into accounts. This work trained an expert response surface, a support vector machine, and a multi-layer neural network as proxy models to effectively learn the high-dimensional nonlinear data structure. The proposed workflow suggests revisiting the high-fidelity numerical simulator for validation purposes. The experience gained from this work would provide valuable guiding insights to similar CO2 enhanced oil recovery (EOR) projects.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Numerical Methods to Evaluate Hyperelastic Transducers: Hexagonal Distributed Embedded Energy Converters

Hexagonal distributed embedded energy converters, also known as hexDEECs, are centimeter-scale energy transducers that leverage variable capacitance to generate electricity when their hyperelastic structure is dynamically deformed. To better understand, characterize, and optimize hexDEEC designs, a series of numerical methods and techniques were developed to model the hyperelastic mechanics of hexDEECs, electrostatic properties, and electricity generation characteristics. The numerical methods developed for the hyperelastic structural analysis were corroborated by empirical results from another study, and the models and equations for capacitance, electrostatic forces, and electrical potential energy were derived from fundamental electrostatic equations. These methods and techniques were implemented within the STAR-CCM+ multiphysics software Version 2020.3 (15.06.008) environment. Results from this analysis revealed methodologies and techniques necessary to model the energy converters, which will enable future exploration and optimization of more specific designs and corresponding applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Numerical coupling of aerosol emissions, dry removal, and turbulent mixing in the E3SM Atmosphere Model version 1 (EAMv1) – Part 1: Dust budget analyses and the impacts of a revised coupling scheme

Abstract. An earlier study evaluating dust life cycle in the Energy Exascale Earth System Model (E3SM) Atmosphere Model version 1 (EAMv1) has revealed that the simulated global mean dust lifetime is substantially shorter when higher vertical resolution is used, primarily due to significant strengthening of dust dry removal in source regions. This paper demonstrates that the sequential splitting of aerosol emissions, dry removal, and turbulent mixing in the model's time integration loop, especially the calculation of dry removal after surface emissions and before turbulent mixing, is the primary reason for the vertical resolution sensitivity reported in that earlier study. Based on this reasoning, we propose a revised numerical process coupling scheme that requires the least amount of code changes, in which the surface emissions are applied before turbulent mixing instead of before dry removal. The revised scheme allows newly emitted particles to be transported aloft by turbulence before being removed from the atmosphere, and hence better resembles the dust life cycle in the real world. Sensitivity experiments show that the revised process coupling substantially weakens dry removal and strengthens vertical mixing in dust source regions. It also strengthens the large-scale transport from source to non-source regions, strengthens dry removal outside the source regions, and strengthens wet removal and activation globally. In transient simulations of the years 2000–2009 conducted using 1∘ horizontal grid spacing, 72 vertical layers, and unchanged tuning parameters of emission strength, the revised process coupling leads to a 40 % increase in the global total dust burden and an increase of dust lifetime from 1.8 to 2.5 d in terms of 10-year averages. Weakened dry removal and increased mixing ratios are also seen for other aerosol species that have substantial surface emissions, although the changes in mixing ratio are considerably smaller for the submicron species than for dust and sea salt. Numerical experiments confirm that the revised coupling scheme significantly reduces the strong and non-physical sensitivities of model results to vertical resolution in the original EAMv1. This provides a motivation for adopting the revised scheme in EAM as well as for further improvements on the simple revision presented in this paper.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Numerical coupling of aerosol emissions, dry removal, and turbulent mixing in the E3SM Atmosphere Model version 1 (EAMv1) – Part 2: A semi-discrete error analysis framework for assessing coupling schemes

Abstract. Part 1 (Wan et al., 2024) of this study discusses the motivation and empirical evaluation of a revision to the aerosol-related numerical process coupling in the atmosphere component of the Energy Exascale Earth System Model version 1 (EAMv1) to address the previously reported issue of strong sensitivity of the simulated dust aerosol lifetime and dry removal rate to the model's vertical resolution. This paper complements that empirical justification of the revised scheme with a mathematical justification leveraging a semi-discrete analysis framework for assessing the splitting error of process coupling methods. The framework distinguishes the error due to numerical splitting from the error due to the time integration method(s) used for each individual process. Such a distinction results in a framework that provides an intuitive understanding of the causes of the splitting error. The application of this framework to the dust life cycle in EAMv1 confirms (i) that the original EAMv1 scheme artificially strengthens the effect of dry removal processes and (ii) that the revised splitting reduces that artificial strengthening. While the error analysis framework is presented in the context of the dust life cycle in EAMv1, the framework can be broadly leveraged to evaluate process coupling schemes, both in other physical problems and for any number of processes. This framework will be particularly powerful when the various process implementations support a variety of time integration approaches. Whereas traditional local truncation error approaches require separate consideration of each combination of time integration methods, this framework enables evaluation of coupling schemes independent of particular time integration approaches for each process while still allowing for the incorporation of these specific time integration errors if so desired. The framework also explains how the splitting error terms result from (i) the integration of individual processes in isolation from other processes and (ii) the choices of input state and time step size for the isolated integration of processes. Such a perspective has the potential for the rapid development of alternative coupling approaches that utilize knowledge both about the desired accuracy and about the computational costs of individual processes.

58 GEOSCIENCES↗
DOE OSTI2013

Numerical Issues Associated with Compensating and Competing Processes in Climate Models: an Example from ECHAM-HAM

The purpose of this paper is to draw attention to the need for appropriate numerical techniques to represent process interactions in climate models. In two versions of the ECHAM-HAM model, different time integration methods are used to solve the sulfuric acid (H2SO4) gas evolution equation, which lead to substantially different results in the H2SO4 gas concentration and the aerosol nucleation rate. Using convergence tests and sensitivity simulations performed with various time stepping schemes, it is confirmed that numerical errors in the second model version are significantly smaller than those in version one. The use of sequential operator splitting in combination with long time step is identified as the main reason for the large systematic biases in the old model. The remaining errors in version two in the nucleation rate, related to the competition between condensation and nucleation, have a clear impact on the simulated concentration of cloud condensation nuclei in the lower troposphere. These errors can be significantly reduced by employing an implicit solver that handles production, condensation and nucleation at the same time. Lessons learned in this work underline the need for more caution when treating multi-time-scale problems involving compensating and competing processes, a common occurrence in current climate models.

climate↗
DOE OSTI2017

Supercritical CO 2 Water Displacements and CO 2 Capillary Trapping: Micromodel Experiment and Numerical Simulation

We report that the CO 2 capillary trapping is an important scientific issue in geological carbon sequestration, but few researches focus on the trapping mechanism at pore scale under supercritical CO 2 condition. In this study, based on the high-pressure fluids-microscopy-micromodel experimental system, we performed drainage experiment, i.e. supercritical CO 2 displacing water, and imbibition experiment, i.e. water displacing CO 2 , under the conditions of 45°C and 8.5 MPa. The DSLR camera was used to capture pictures of CO 2 -water two-phase immiscible flow and the microscopy was used to capture the capillary trapping behavior for the supercritical CO 2 at the pore scale. The computational fluid dynamic method was adopted to simulate the two-phase fluid flow processes. The numerical results are generally in agree ment with the experimental observations, and further provide three-dimensional geometries on the interface during the drainage-imbibition processes and the trapped supercritical CO 2 droplet/cluster. Lastly, the capillary trapping curve, i.e. the relationship between the initial CO 2 saturation and the residual saturation, was obtained from the numerical results, and we made an assessment of the three capillary trapping models, i.e. Land's, Jurauld's and Spiteri's trapping models. A comparison of the models performance indicates that Jurauld's model behaves slightly better than Land's model, whereas Spiteri's model behaves poorly. However, given that Land's model only contains one parameter of clear physical meaning, it is recommended for practical use.

58 GEOSCIENCES↗
NASA NTRS1966

Numerical Studies of the Non-linear Vlasov Equation

The subject of this dissertation is the numerical integration of the initial-value problem for the non-linear Vlasov equation. The Vlasov equation is used to describe the dynamics of a "collisionless", one-dimensional, classical electron gas confined between two perfectly reflecting boundaries. Only the long-range Coulomb interactions of the electrons are considered; effects associated with the discrete structure are neglected. The numerical results obtained for non-linear Landau damping compare well with similar results obtained by Knorr. A general statement of the results on stable initial conditions is: As the degree of non-linearity of the initial conditions is increased, the deviation from linear Landau damping appears sooner and is more severe. In some cases damping was observed to cease. Curves showing the time dependence of the damping decrement are derived and compared with predictions of non-linear theories. New results obtained in this study include the observation that for strongly non-linear cases, the damping of the electric field causes an initially Maxwellian fo (v, O) to develop a peak in the neighborhood of the phase velocity; strong growth of the second harmonic is seen after fo (v, t) develops such a peak. Also new in this study is the interpretation of the development of a certain class of strongly unstable initial conditions as approaching an inhomogeneous equilibrium.

NUMERICAL INTEGRATION↗
NASA NTRS2001

Noninvasive assessment of mitral inertness: clinical results with numerical model validation

Inertial forces (Mdv/dt) are a significant component of transmitral flow, but cannot be measured with Doppler echo. We validated a method of estimating Mdv/dt. Ten patients had a dual sensor transmitral (TM) catheter placed during cardiac surgery. Doppler and 2D echo was performed while acquiring LA and LV pressures. Mdv/dt was determined from the Bernoulli equation using Doppler velocities and TM gradients. Results were compared with numerical modeling. TM gradients (range: 1.04-14.24 mmHg) consisted of 74.0 +/- 11.0% inertial forcers (range: 0.6-12.9 mmHg). Multivariate analysis predicted Mdv/dt = -4.171(S/D (RATIO)) + 0.063(LAvolume-max) + 5. Using this equation, a strong relationship was obtained for the clinical dataset (y=0.98x - 0.045, r=0.90) and the results of numerical modeling (y=0.96x - 0.16, r=0.84). TM gradients are mainly inertial and, as validated by modeling, can be estimated with echocardiography.

NASA Discipline Cardiopulmonary↗
NASA NTRSDate not supplied

Numerical Methods for Jet Noise Predictions Using the Generalized Acoustic Analogy

Numerical methods used in several implementations of the Generalized Acoustic Analogy for the prediction of turbulent jet noise are discussed. The equation governing sound propagation in the analogy formulation is presented along with analytical simplifications to reduce the computational burden of obtaining solutions. Numerical methods for the resulting boundary-value problem for two classes of jet flows, axisymmetric and non-axisymmetric mean flows, are discussed in detail. Example results from problems of the two classed of jets are presented.

jet noise↗
DOE OSTI2015

ON THE ANALATICAL SOLUTIONS AND NUMERICAL VERIFICATIONS OF THE TWO-PHASE WATER FAUCET PROBLEM

The two-phase water faucet problem is one of the benchmark problems originally proposed by Ransom. The test consists of a vertical pipe, which is initially filled with a uniform column of liquid moving with an initial velocity and an annulus of gas sitting still. At the top boundary, liquid is supplied at the same velocity as the initial velocity, and the bottom of the pipe opens to the ambient. Due to the gravity effect, the liquid column accelerates and becomes thinner. With simplifications, such as massless gas phase and no wall and interfacial frictions, an analytical solution could be obtained for the transient liquid velocity and void fraction distribution. The test has been widely used for the purposes of code assessment, benchmark and numerical verifications. This exact solution was used in this work to verify the numerical accuracy of a high-resolution spatial discretization scheme. The high-resolution spatial discretization scheme is based on the commonly used staggered grid mesh, and slope limiter was introduced to achieve high resolutions in space. It was found that, at the steady state, an expected second-order spatial accuracy could not be achieved. A further investigation showed that this exact solution does not actually satisfy the commonly used two-fluid single pressure two-phase flow equations. More importantly, we have also found that a steady-state exact solution could be obtained for the water faucet problem. In this work, we have demonstrated the derivation of the steady-state exact solution for the water faucet problem. The exact solution was then used to verify a first-order and a high-resolution spatial discretization scheme, from which expected order of accuracy was achieved by doing mesh refinement.

42 ENGINEERING↗
DOE OSTI2022

Toward a Unified Framework for WEC Numerical Modeling

This presentation is about moving toward a united framework for WEC numerical modeling. A unified framework for WEC numerical modeling could help device developers on three fronts: 1) optimization; 2) more accurate load estimates; 3) validation.

modeling↗
DOE OSTI2023

Numerical study of proppant transport and settling processes in fractures

Reservoir stimulation by creating hydraulically conductive fractures is the key step for enabling enhanced geothermal systems (EGS). The effectiveness of stimulation is significantly influenced by the deposition of proppant inside induced fractures. The transportation and settling of proppant in a propagating fracture is controlled by a multitude of operational and physical parameters, including the fracturing fluid rheology, injection rate, proppant concentration, fracture length/aperture evolution, proppant size/density/shape, etc. A numerical tool that robustly and efficiently accounts for all important attributes can facilitate the design and optimization of reservoir stimulation. This study presents the novel computational tool ELK (ELectrical fracKing) developed for the numerical simulation of proppant-fluid mixture circulation in a fractured geothermal reservoir. We enriched the MOOSE-based PorousFlow module with a suite of equations to consider the fluid-proppant mixture with particle-particle/fluid interactions, which include gravitational settling, particle convection, particle hampering, and strong density and viscosity contrasts. The computational tool is validated by comparing the predicted proppant bed evolution against two different laboratory scale experiments of proppant transport in a fixed aperture channel. Further parameter studies were performed, and the modeling results show that the proppant deposition is determined by the mixing characteristics and settling of the particles from the slurry. Concentration-dependent density and viscosity lead to an inhomogeneous distribution of the proppant, particle collision, and enhanced settling at the bottom of the fractures. Preliminary coupling with dynamic fracture propagation shows promising results and will be further developed to simulate hydraulic stimulation at high fidelity.

15 GEOTHERMAL ENERGY↗