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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Using Advanced Modeling to Accelerate the Scale-Up of Carbon Capture Technologies

Carbon capture and storage (CCS) is one of many approaches that are critical for significantly reducing domestic and global CO2 emissions. The U.S. Department of Energy’s Clean Coal Technology Program Plan envisions 2nd generation CO2 capture technologies ready for demonstration-scale testing around 2020 with the goal of enabling commercial deployment by 2025 [1]. Third generation technologies have a similarly aggressive timeline. A major challenge is that the development and scale-up of new technologies in the energy sector historically takes up to 15 years to move from the laboratory to pre-deployment and another 20 to 30 years for widespread industrial scale deployment. In order to help meet the goals of the DOE carbon capture program, the Carbon Capture Simulation Initiative (CCSI) was launched in early 2011 to develop, demonstrate, and deploy advanced computational tools and validated multi-scale models to reduce the time required to develop and scale up new carbon capture technologies. The CCSI Toolset (1) enables promising concepts to be more quickly identified through rapid computational screening of processes and devices, (2) reduces the time to design and troubleshoot new devices and processes by using optimization techniques to focus development on the best overall process conditions and by using detailed device-scale models to better understand and improve the internal behavior of complex equipment, and (3) provides quantitative predictions of device and process performance during scale up based on rigorously validated smaller scale simulations that take into account model and parameter uncertainty[2]. This article focuses on essential elements related to the development and validation of multi-scale models in order to help minimize risk and maximize learning as new technologies progress from pilot to demonstration scale.

Miller, David↗
DOE OSTI2019

Application of deep artificial neural networks to multi-dimensional flamelet libraries and spray flames

The “curse of dimensionality” has limited the applicability and expansion of tabulated combustion models. While the tabulated flamelet model and other multi-dimensional manifold approaches have shown predictive capability, the associated tabulation involves the storage of large lookup tables, requiring large memory as well as multi-dimensional interpolation subroutines, all implemented during runtime. As such, this work investigates the use of deep artificial neural networks to replace lookup tables in order to reduce the memory footprint and increase the computational speed of tabulated flamelets and related approaches. Specifically, different strategic approaches to training the artificial neural network models are explored and a grouped multi-target artificial neural network is introduced, which takes advantage of the ability of artificial neural networks to map an input space to multiple targets by classifying the species based on their correlation to one another. The grouped multi-target artificial neural network approach is validated by applying it to an n-dodecane spray flame using conditions of the Spray A flame from the Engine Combustion Network and comparing global flame characteristics for different ambient conditions using a well-established large-eddy simulation framework. The same framework is then extended to the simulations of methyl decanoate combustion in a compression ignition engine. The validation studies show that the grouped multi-target artificial neural networks are able to accurately capture flame liftoff, autoignition, two-stage heat release and other quantitative trends over a range of conditions. The use of neural networks in conjunction with the grouping mechanism as performed in the grouped multi-target artificial neural network produces a significant reduction in the memory footprint and computational costs for the code and, thus, widens the operating envelope for higher fidelity engine simulations with detailed mechanisms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

DiaMonD: An Integrated Multifaceted Approach to Mathematics at the Interfaces of Data, Models, and Decisions

The major goal of the project was to invent, analyze, implement, and apply new algorithms to speed up the computational simulation of complex systems in settings in which multiple simulations are needed. The main efforts we undertook are as follows: 1. Develop novel reduced order methods to reduce the costs of simulations, especially in settings (e.g., UQ, inference, optimization and control) for which numerous simulation are needed and also for nonlocal problems (e.g., fractional derivative, anomalous diffusion, nonlocal mechanics) for which lack of sparsity results in more expensive full-order simulation than encountered in partial differential equations settings; rigorous analyses as well as computational tests were carried out, 2. Develop multifidelity methods based on the usage of a variety of models having different fidelities and different costs to accelerate simulations again in settings where numerous simulations are needed or are especially expensive; rigorous analyses as well as computational tests were carried out, 3. Develop ensemble methods to reduced the costs of simulations again in settings where numerous simulations are needed or are especially expensive; rigorous analyses as well as computational tests were carried out, and 4. Analyze a model for Richardson pair dispersion in turbulent flows and develop discretization methods for the efficient and accurate approximations of the solution of the model; rigorous analyses as well as computational tests were carried out.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

An enhanced SOCP-based method for feeder load balancing using the multi-terminal soft open point in active distribution networks

The integration of distributed generators (DGs) exacerbates the feeder power flow fluctuation and load unbalanced condition in active distribution networks (ADNs). The unbalanced feeder load causes inefficient use of network assets and network congestion during system operation. The flexible interconnection based on the multi-terminal soft open point (SOP) significantly benefits the operation of ADNs. The multi-terminal SOP, which is a controllable power electronic device installed to replace the normally open point, provides accurate active and reactive power flow control to enable the flexible connection of feeders. An enhanced SOCP-based method for feeder load balancing using the multi-terminal SOP is proposed in this paper. Furthermore, by regulating the operation of the multi-terminal SOP, the proposed method can mitigate the unbalanced condition of feeder load and simultaneously reduce the power losses of ADNs. Then, the original non-convex model is converted into a second-order cone programming (SOCP) model using convex relaxation. In order to tighten the SOCP relaxation and improve the computation efficiency, an enhanced SOCP-based approach is developed to solve the proposed model. Finally, case studies are performed on the modified IEEE 33-node system to verify the effectiveness and efficiency of the proposed method.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Comparison of atmospheric radionuclide dispersion models for a risk-informed consequence-driven advanced reactor licensing framework

Current nuclear facility emergency planning zones (EPZs) are based on outdated distance-based criteria, predating comprehensive dose and risk-informed frameworks. Recent advancements in simulation tools have permitted the development of site-specific, dose, and risk-based consequence-driven assessment frameworks. This study investigated the computation of advanced reactor (AR) EPZs using two atmospheric dispersion models: a straight-line Gaussian plume model (GPM) and a semi-Lagrangian Particle in Cell (PIC). Two case studies were conducted: (1) benchmarking the NRC SOARCA study for the Peach Bottom Nuclear Generating Station and (2) analyzing an advanced INL Heat Pipe Design A microreactor's end-of-cycle inventory. The dose criteria for both cases were 10 mSv at mean weather conditions and 50 mSv at 95th percentile weather conditions at 96 h post-release. Results demonstrated that GPM and PIC estimated similar mean peak dose levels for large boiling water reactors in the farfield case, placing EPZ limits beyond current regulations. For ARs with source terms remaining in the nearfield, PIC modeling without specific nearfield considerations could result in excessively high doses and inaccurate EPZ designations. PIC dispersion demonstrated an order of magnitude higher estimate of nearfield inhalation dose contribution when compared to GPM results. Furthermore, both models significantly reduced EPZ sizing within the nearfield. Thus, reductions in the AR source term may eliminate the need for a separate EPZ.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2024

Thermal diffusion, exhaust gas recirculation and blending effects on lean premixed hydrogen flames

Thermodiffusively-unstable lean premixed hydrogen flames are investigated using two-dimensional direct numerical simulation employing finite-rate chemical kinetics. Three databases are generated focussing on the inclusion of the Soret effect, the recirculation of exhaust gas, and blending with methane. A simple rescaling of a classic thermal diffusion model is presented and shown to mimic multicomponent diffusion with very low computational cost and little-to-no loss in accuracy. It is also shown that a previously developed model for mean local flame speeds in lean premixed hydrogen flames can still be used provided Soret effects are taken into account in one-dimensional calculations. The addition of exhaust gas to the unburned mixture is found to enhance thermodiffusive instability; the primary mechanism for this was shown to be the highly-efficient third-body nature of water, with the reduction of adiabatic flame temperature a second-order effect. Again, the existing mean local flame speed model proved sufficient. Finally, blending with methane was found to reduce the thermodiffusive response of the flame, more so than the existing model suggests, despite adjustment of the fuel Lewis number; an adapted model is presented to account for this.

08 HYDROGEN↗
DOE OSTI2024

Electronic rotons and Wigner crystallites in a two-dimensional dipole liquid

A key concept proposed by Landau to explain superfluid liquid helium is the elementary excitation of quantum particles called rotons1–8. The irregular arrangement of atoms in a liquid leads to the aperiodic dispersion of rotons, which played a pivotal role in understanding fractional quantum Hall liquids (magneto-rotons)9,10 and the supersolidity of Bose–Einstein condensates11–13. Even for a two-dimensional electron or dipole liquid, in the absence of a magnetic field, the repulsive interactions have been predicted to form a roton minimum14–19, which can be used to trace the transition to Wigner crystals20–24 and superconductivity25–27, although this has not yet been observed. Here, we report the observation of such electronic rotons in a two-dimensional dipole liquid of alkali-metal ions donating electrons to surface layers of black phosphorus. Our data reveal the striking aperiodic dispersion of rotons, which is characterized by a local minimum of energy at finite momentum. As the density of dipoles decreases so that interactions dominate over the kinetic energy, the roton gap reduces to 0, as in a crystal, signalling Wigner crystallization. Our model shows the importance of short-range order arising from repulsion between dipoles, which can be viewed as the formation of Wigner crystallites (bubbles or stripes) floating in the sea of a Fermi liquid. Our results reveal that the primary origin of electronic rotons (and the pseudogap) is strong correlations.

Park, Soobin↗
DOE OSTI2025

Appraising constrained second-order power corrections in HQET with Λ b →Λ c Ι⁢ν

We derive the Λ b →Λ c form factors for the Standard Model and beyond at second order in heavy quark effective theory, applying the recently proposed residual chiral expansion to reduce the set of unknown subsubleading hadronic functions to a single, highly constrained function, that is fully determined by hadron mass parameters at zero recoil. We fit a form factor parametrization based on these results to all available lattice QCD predictions and experimental data. We find that the constrained and predictive structure of the form factors under the residual chiral expansion is in excellent agreement with lattice QCD predictions and experimental data, as well as prior heavy-quark-effective-theory-based fits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1980

Control systems design for large flexible space structures

Several approaches for the design of reduced-order linear-quadratic-Gaussian type controllers for large space structures were proposed and evaluated using a continuous model of a long free-free beam. Sufficient conditions were derived for the asymptotic stability with this type of controller. A finite-element model of a free-free-free-free square plate was obtained for use in control systems studies. A method was developed for optimal damping enhancement in large space structures.

Joshi, S. M.↗
NASA NTRS1982

Crustal interpretation of the MAGSAT data in the continental United States

The processing of MAGSAT scalar data to construct a crustal magnetic anomaly map over the continental U.S. involves removal of the reference field model, a path-by-path subtraction of a low order polynomial through a least-squares fit to reduce orbital offset errors, and a two dimensional spectral filtering to mitigate the spectral bias induced by the path-by-path orbital correction scheme. The resultant anomaly map shows reasonably good correlations with an aeromagnetic map derived from the project MAGNET. Prominent satellite magnetic anomalies are identified in terms of geological provinces and age boundaries. An inversion method was applied to MAGSAT data which produces both the Curie depth topography and laterally varying magnetic susceptibility of the crust. A contoured Curie depth map thus derived shows general agreements with a crustal thickness map based on seismic data.

Won, I. J.↗
NASA NTRS1984

Sampling strategies and four-dimensional assimilation of altimetric data for ocean monitoring and prediction

Numerical experiments using simulated altimeter data were conducted in order to examine the assimilation of altimeter-derived sea surface heights into numerical ocean circulation models. A reduced-gravity, primitive equation circulation model of the Gulf of Mexico was utilized; the Gulf of Mexico was chosen because of its amenability to modeling and the ability of low vertical-mode models to reproduce the observed dynamical features of the Gulf circulation. The simulated data were obtained by flying an imaginary altimeter over the model ocean and sampling the model sea surface just as real altimeter would observe the true ocean. The data were used to initialize the numerical model and the subsequent forecast was compared to the true numerical solution. Results indicate that for a stationary, circular eddy, approximately three to four tracks (either ascending or descending) across the eddy are sufficient to ensure adequate spatial resolution.

Kindle, J. C.↗
NASA NTRS1986

HVAC modifications and computerized energy analysis for the Operations Support Building at the Mars Deep Space Station at Goldstone

The key heating, ventilation, and air-conditioning (HVAC) modifications implemented at the Mars Deep Space Station's Operation Support Building at Jet Propulsion Laboratories (JPL) in order to reduce energy consumption and decrease operating costs are described. An energy analysis comparison between the computer simulated model for the building and the actual meter data was presented. The measurement performance data showed that the cumulative energy savings was about 21% for the period 1979 to 1981. The deviation from simulated data to measurement performance data was only about 3%.

Halperin, A.↗
NASA NTRS1992

New literal approximations for the longitudinal dynamic characteristics of flexible flight vehicles

The goal of the literal approximation method is to obtain simple literal (analytical) approximations for key dynamic characteristics of flexible flight vehicles. A basic question regarding the method is its usefulness as an additional design tool for existing design and simulation procedures. Two aspects of this question are: (1) ease of derivation and use of the literal approximations, and (2) the suitability of one set of literal approximations to describe the dynamics of a large set of significantly different vehicles. These issues are addressed by incorporating symbolic manipulation software into the literal approximation method for the analysis of a fifth order model of the longitudinal dynamics of a flexible flight vehicle. The automated literal approximation generated in this fashion reduces the manual derivation time by an approximate factor of four. A single set of literal approximations is shown to provide adequate approximations for the dynamics of significantly different flight vehicles configurations, such as an aircraft, a missile, and a hypersonic vehicle.

Livneh, Rafael↗
NASA NTRS2007

Model Checking a Byzantine-Fault-Tolerant Self-Stabilizing Protocol for Distributed Clock Synchronization Systems

This report presents the mechanical verification of a simplified model of a rapid Byzantine-fault-tolerant self-stabilizing protocol for distributed clock synchronization systems. This protocol does not rely on any assumptions about the initial state of the system. This protocol tolerates bursts of transient failures, and deterministically converges within a time bound that is a linear function of the self-stabilization period. A simplified model of the protocol is verified using the Symbolic Model Verifier (SMV) [SMV]. The system under study consists of 4 nodes, where at most one of the nodes is assumed to be Byzantine faulty. The model checking effort is focused on verifying correctness of the simplified model of the protocol in the presence of a permanent Byzantine fault as well as confirmation of claims of determinism and linear convergence with respect to the self-stabilization period. Although model checking results of the simplified model of the protocol confirm the theoretical predictions, these results do not necessarily confirm that the protocol solves the general case of this problem. Modeling challenges of the protocol and the system are addressed. A number of abstractions are utilized in order to reduce the state space. Also, additional innovative state space reduction techniques are introduced that can be used in future verification efforts applied to this and other protocols.

Malekpour, Mahyar R.↗
NASA NTRS2008

Verification of a Byzantine-Fault-Tolerant Self-stabilizing Protocol for Clock Synchronization

This paper presents the mechanical verification of a simplified model of a rapid Byzantine-fault-tolerant self-stabilizing protocol for distributed clock synchronization systems. This protocol does not rely on any assumptions about the initial state of the system except for the presence of sufficient good nodes, thus making the weakest possible assumptions and producing the strongest results. This protocol tolerates bursts of transient failures, and deterministically converges within a time bound that is a linear function of the self-stabilization period. A simplified model of the protocol is verified using the Symbolic Model Verifier (SMV). The system under study consists of 4 nodes, where at most one of the nodes is assumed to be Byzantine faulty. The model checking effort is focused on verifying correctness of the simplified model of the protocol in the presence of a permanent Byzantine fault as well as confirmation of claims of determinism and linear convergence with respect to the self-stabilization period. Although model checking results of the simplified model of the protocol confirm the theoretical predictions, these results do not necessarily confirm that the protocol solves the general case of this problem. Modeling challenges of the protocol and the system are addressed. A number of abstractions are utilized in order to reduce the state space.

Malekpour, Mahyar R.↗
NASA NTRS2016

Coupled Inertial Navigation and Flush Air Data Sensing Algorithm for Atmosphere Estimation

This paper describes an algorithm for atmospheric state estimation based on a coupling between inertial navigation and flush air data-sensing pressure measurements. The navigation state is used in the atmospheric estimation algorithm along with the pressure measurements and a model of the surface pressure distribution to estimate the atmosphere using a nonlinear weighted least-squares algorithm. The approach uses a high-fidelity model of atmosphere stored in table-lookup form, along with simplified models propagated along the trajectory within the algorithm to aid the solution. Thus, the method is a reduced-order Kalman filter in which the inertial states are taken from the navigation solution and atmospheric states are estimated in the filter. The algorithm is applied to data from the Mars Science Laboratory entry, descent, and landing from August 2012. Reasonable estimates of the atmosphere are produced by the algorithm. The observability of winds along the trajectory are examined using an index based on the observability Gramian and the pressure measurement sensitivity matrix. The results indicate that bank reversals are responsible for adding information content. The algorithm is applied to the design of the pressure measurement system for the Mars 2020 mission. A linear covariance analysis is performed to assess estimator performance. The results indicate that the new estimator produces more precise estimates of atmospheric states than existing algorithms.

Karlgaard, Christopher D.↗
DOE OSTI2019

Enhancing Monte Carlo proxy applications on GPUs

In Monte Carlo neutron transport simulations, a computational routine commonly known as the ”cross-section lookup” has been identified as being the most computationally expensive part of these applications. A tool which is commonly used as a proxy application for these routines, named ”XSBench”, was created to simulate popular algorithms used in these routines on CPUs. Currently, however, as GPU-based HPC resources have become more widely available, there has been significant interest and efforts invested in moving these traditionally CPU-based simulations to GPUs. Unfortunately, the algorithms commonly used in the cross-section lookup routine were originally devised and developed for CPU-based platforms, and have seen limited study on GPUs to date. Additionally, platforms such as XSBench implement approximations which may have a negligible effect on CPUs, but may be quite impactful to performance on GPUs given the more resource-limited nature of the latter. As a result, we have created VEXS, a new tool for modeling the cross-section lookup routine which removes or at least reduces the approximations made by XSBench in order to provide a more realistic prediction of algorithm performance on GPUs. In this paper, we detail our efforts to remove and reduce these approximations, show the resulting improvement in performance prediction in comparison to a reference production code, Shift, and provide some basic profiling analysis of the resulting application.

Shriver, Forrest↗
DOE OSTI2016

On-the-Fly Treatment of Temperature Dependent Cross Sections in the Unresolved Resonance Regions in RMC Code

Monte Carlo method can provide high fidelity neutronics analysis of different nuclear reactors, owing to its advantages of the flexible geometry modeling and the use of continuous-energy nuclear cross sections. It can also be coupled with thermal-hydraulics codes to consider the feedback. For thermal reactors such as PWR and HTGR, two main temperature effects should be considered. The first is the effect of thermal motion of target nuclei in resolved resonance energy regions, which is known as Doppler effect. The second is the thermal scattering and bound effect in thermal energy regions. The traditional approach of pre-generated cross sections has difficulty in memory footprint for detailed temperature modelling in multi-physics calculations. Recently, on-the-fly (OTF) technique has been proposed in order to reduce the memory consumption for both resolved resonance energy and thermal energy. For fast reactors calculations, the temperature dependence of cross sections in the unresolved resonance energy regions is also important. However, less attention was paid to the unresolved resonance regions compared with resolved resonance energy and thermal energy. In this paper, the on-the-fly temperature treatment of cross sections in unresolved resonance regions was proposed and developed in RMC codes. The results show that the on-the-fly treatment has high efficiency and satisfactory fidelity. The on-the-fly treatment of unresolved resonance region was also combined with the target motion sampling (TMS) method for resolved resonance energy. The formats of libraries were changed, in which the probability tables were separated from the cross sections. Then the interpolation of probability table was performed on-the-fly during the transport routine. The results show that the on-the-fly treatment has high efficiency and satisfactory fidelity. The on-the-fly treatment of unresolved resonance region was also combined with the target motion sampling (TMS) method for resolved resonance energy, showing that TMS method is effective and accurate for cross sections treatment in resolved resonance energy regions. The memory saving of the on-the-fly treatment is also considerable. For the high-fidelity 'transport-burnup-thermal-hydraulics' coupling calculation, the memory requirement is 60 Mb. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗