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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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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Validation of SAS4A/SASSYS-1 for Steady-State Single-Phase Natural Circulation

The development of numerical software for engineering applications requires the validation of the code against experimental benchmark datasets. To support the validation of SAS4A/SASSYS-1 in simulating the single-phase natural circulation within nuclear reactor systems, high-precision steady-state experiments are performed to capture single-phase natural circulation phenomena on an existing scaled facility with comprehensive instrumentation. Forced convection tests are designed precisely capturing the facility’s critical thermal-hydraulic parameters required for one-dimensional modeling, and a comprehensive single-phase natural circulation dataset is obtained with well-documented experimental uncertainty and facility description. Analysis and discussion based on the finalized dataset confirm the dataset’s ability in capturing dominant phenomena and address important physical interpretation of parameters. The dataset reported in this project provides a valuable benchmark resource for the validation of system analysis codes under single-phase natural circulation inside nuclear reactors. Validation of SAS4A/SASSYS-1 is then performed against the obtained benchmark dataset to confirm the capability of its physics model in simulating the steady-state single-phase natural circulation. The experimental facility is modeled in the candidate code. Solution verification is performed using Richardson-extrapolation-based estimators to quantify and restrict numerical errors from discretization. Numerical uncertainty originating from finite maximum pseudo-transient time is also quantified and restricted. Input uncertainty provided by the benchmark dataset is forward propagated through the candidate code, directly quantifying the simulation output in a Monte Carlo approach. The composition of the output uncertainty is further determined by the estimators of Sobol’ indices through a variance-based sensitivity analysis. With uncertainty quantified for each individual condition, detailed comparison between the simulation results and experimental data is performed covering the whole dataset, which shows consistent agreement for all important quantities. The validation activity reported in this project demonstrates that SAS4A/SASSYS-1 can predict the primary parameters with satisfactorily accuracy under steady-state single-phase natural circulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Additions to the ICSBEP AND IRPHEP Handbooks Since NCSD 2013

Innumerable experiments have been performed worldwide to support criticality safety activities. Those experiments represent significant investments in cost, expertise, and infrastructure; as such, they represent valuable assets as the basis for recording, development, and validation of methods and nuclear data vital for modern and future criticality safety needs. Preservation and evaluation of these experimental data as benchmarks serves to provide for the best interest of the nuclear criticality safety community. High-quality integral benchmark experiments have always been a priority. There is ever growing interest in developing integral benchmark data to increasingly quantify and reduce calculational uncertainties to meet the demands of future criticality safety needs supporting next generation reactors and advanced fuel cycle concepts. The importance of drawing upon existing benchmark data is becoming more apparent be-cause of dwindling availability of critical facilities worldwide and the high cost of per-forming new experiments. Integral benchmark data from the International Handbook of Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook) and the International Handbook of Reactor Physics Benchmark Experiments (IRPhEP Handbook) are widely utilized. Significant benchmark data have been added to those two handbooks since the last Nuclear Criticality Safety Division Topical Meeting in Wilmingt on, North Carolina (September-October 2013). This paper highlights those additions. The 2016 edition of the ICSBEP Handbook now includes data for 570 evaluations containing benchmark specifications for 4,913 critical, subcritical, or near-critical configurations, representing contributions from over 20 countries. There are a total of 7 criticality-alarm-placement/shielding evaluations containing a total of 45 benchmark configurations, and 8 fundamental physics benchmark evaluations containing a total of 215 measurements relevant to criticality safety applications. The IRPhEP Handbook now includes data from 151 experimental series (representing 50 reactor facilities) and also represents contributions from over 20 countries. Of the 151 benchmarks, five are draft contributions. Both the ICSBEP and IRPhEP are collaborative efforts that involve numerous scientists, engineers, and administrative support personnel worldwide. Continued contribution to these handbooks is expected to further provide the high-quality benchmark data necessary to compliment criticality safety activities going forward.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Additions to the ICSBEP and IRPHEP handbooks since NCSD 2013

Innumerable experiments have been performed worldwide to support criticality safety activities. Those experiments represent significant investments in cost, expertise, and infrastructure; as such, they represent valuable assets as the basis for recording, development, and validation of methods and nuclear data vital for modern and future criticality safety needs. Preservation and evaluation of these experimental data as benchmarks serves to provide for the best interest of the nuclear criticality safety community. High-quality integral benchmark experiments have always been a priority. There is ever growing interest in developing integral benchmark data to increasingly quantify and reduce calculational uncertainties to meet the demands of future criticality safety needs supporting next generation reactors and advanced fuel cycle concepts. The importance of drawing upon existing benchmark data is becoming more apparent because of dwindling availability of critical facilities worldwide and the high cost of performing new experiments. Integral benchmark data from the International Handbook of Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook) and the International Handbook of Reactor Physics Benchmark Experiments (IRPhEP Handbook) are widely utilized. Significant benchmark data have been added to those two handbooks since the last Nuclear Criticality Safety Division Topical Meeting in Wilmington, North Carolina (September-October 2013). This paper highlights those additions. The 2016 edition of the ICSBEP Handbook now includes data for 570 evaluations containing benchmark specifications for 4913 critical, subcritical, or near-critical configurations, representing contributions from over 20 countries. There are a total of seven criticality-alarm-placement/shielding evaluations containing a total of 45 benchmark configurations, and eight fundamental physics benchmark evaluations containing a total of 215 measurements relevant to criticality safety applications. The IRPhEP Handbook now includes data from 151 experimental series (representing 50 reactor facilities) and also represents contributions from over 20 countries. Of the 151 benchmarks, five are draft contributions. Both the ICSBEP and IRPhEP are collaborative efforts that involve numerous scientists, engineers, and administrative support personnel worldwide. Continued contribution to these handbooks is expected to further provide the high-quality benchmark data necessary to compliment criticality safety activities going forward. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

A peridynamic failure analysis of fiber-reinforced composite laminates using finite element discontinuous Galerkin approximations

Here, this paper presents a discontinuous Galerkin weak form for bond-based peridynamic models to predict the damage of fiber-reinforced composite laminates. To represent the anisotropy of a laminate in a peridynamic model, a lamina is simplified as a transversely isotropic medium under a plane stress condition. The laminated structure is modeled by stacking the surface mesh layers along the thickness direction according to the laminate sequence. To avoid a mesh dependence on either the fiber orientation or the discretization, the spherical harmonic expansion theory is employed to construct a function for the micro-elastic modulus in terms of the bond-fiber angle. The laminate material is decomposed into an isotropic matrix material part and a transversely isotropic material part. The bond stiffness can be evaluated using the engineering material constants, based on the equivalence between the elastic energy density in the peridynamic theory and the elastic energy density in the classic continuum mechanics theory. Benchmark tests are conducted to verify the proposed model. Numerical results illustrate that the convergence of simulations with different horizon sizes and meshes can be achieved. In terms of damage analysis, the proposed model can capture the dynamic process of the complex coupling of the inner-layer and delamination damage modes.

42 ENGINEERING↗
DOE OSTI2017

A stable partitioned FSI algorithm for rigid bodies and incompressible flow. Part I: Model problem analysis

A stable partitioned algorithm is developed for fluid-structure interaction (FSI) problems involving viscous incompressible flow and rigid bodies. This added-mass partitioned (AMP) algorithm remains stable, without sub-iterations, for light and even zero mass rigid bodies when added-mass and viscous added-damping effects are large. The scheme is based on a generalized Robin interface condition for the fluid pressure that includes terms involving the linear acceleration and angular acceleration of the rigid body. Added mass effects are handled in the Robin condition by inclusion of a boundary integral term that depends on the pressure. Added-damping effects due to the viscous shear forces on the body are treated by inclusion of added-damping tensors that are derived through a linearization of the integrals defining the force and torque. Added-damping effects may be important at low Reynolds number, or, for example, in the case of a rotating cylinder or rotating sphere when the rotational moments of inertia are small. In this second part of a two-part series, the general formulation of the AMP scheme is presented including the form of the AMP interface conditions and added-damping tensors for general geometries. A fully second-order accurate implementation of the AMP scheme is developed in two dimensions based on a fractional-step method for the incompressible Navier-Stokes equations using finite difference methods and overlapping grids to handle the moving geometry. Here, the numerical scheme is verified on a number of difficult benchmark problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A new fuel modeling capability, CTFFuel, with a case study on the fuel thermal conductivity degradation

Here, a new fuel modeling capability, CTFFuel, is developed from the subchannel code, CTF. This code is a standalone interface to the CTF fuel rod models, allowing for fuel rod simulations to be run independently from the fluid. This paper provides an overview of the code with a case study on the thermal conductivity degradation of LWR fuels to demonstrate its capabilities. The modeling of fuel thermal conductivity degradation in the code is improved through the addition of new modeling options to account for the irradiation effects via globally defined parameters. After the initial implementation, a variety of order-of-accuracy tests and code comparisons are performed to test software quality. A controlled analysis is allowed by CTFFuel to verify the numerical scheme of CTF’s conduction solution and to benchmark its fuel temperature predictions against FRAPCON-4.0’s. Overall, the software quality and verification procedure ensures that the new model is coded correctly, that it properly interacts with the rest of the code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Verification of the sensitivity and uncertainty-based criticality safety validation techniques: ORNL’s SCALE case study

The use of sensitivity and uncertainty-based techniques has been well-developed in the neutronic community for criticality safety applications. Sensitivity techniques calculate the first-order relative variations in keff due to relative cross-section variations by isotope, reaction type, and incident neutron energy. The result is a vector of sensitivity coefficients which is folded with prior cross-section uncertainties to calculate the so-called similarity indices. Similarity indices are integral quantities which serve as useful mathematical measures for assessing the relevance of existing or new experiments to given application conditions, representing design systems for which the models are to be validated. Despite their importance for a wide range of validation activities, the peer-reviewed literature is non-existent on the development of rigorous verification analysis for their calculated values. Thus, this manuscript proposes a simple non-intrusive method to calculate similarity indices, serving as an independent verification tool for their evaluation. The manuscript derives the theoretical basis for the proposed verification analysis. Next, the verification analysis is applied to the ORNL’s SCALE code suite which employs adjoint-based methods to calculate similarity indices. Numerical experiments using a number of well-known benchmark experiments are employed to verify the calculation of the similarity indices.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Interactions Between the Amazonian Rainforest and Cumuli Clouds: A Large‐Eddy Simulation, High‐Resolution ECMWF, and Observational Intercomparison Study

Abstract The explicit coupling at meter and second scales of vegetation's responses to the atmospheric‐boundary layer dynamics drives a dynamic heterogeneity that influences canopy‐top fluxes and cloud formation. Focusing on a representative day during the Amazonian dry season, we investigate the diurnal cycle of energy, moisture and carbon dioxide at the canopy top, and the transition from clear to cloudy conditions. To this end, we compare results from a large‐eddy simulation technique, a high‐resolution global weather model, and a complete observational data set collected during the GoAmazon14/15 campaign. The overall model‐observation comparisons of radiation and canopy‐top fluxes, turbulence, and cloud dynamics are very satisfactory, with all the modeled variables lying within the standard deviation of the monthly aggregated observations. Our analysis indicates that the timing of the change in the daylight carbon exchange, from a sink to a source, remains uncertain and is probably related to the stomata closure caused by the increase in vapor pressure deficit during the afternoon. We demonstrate quantitatively that heat and moisture transport from the subcloud layer into the cloud layer are misrepresented by the global model, yielding low values of specific humidity and thermal instability above the cloud base. Finally, the numerical simulations and observational data are adequate settings for benchmarking more comprehensive studies of plant responses, microphysics, and radiation.

Vilà‐Guerau de Arellano, J.↗
DOE OSTI2021

SOLPS-ITER validation with TCV L-mode discharges

This work presents a quantitative test of SOLPS-ITER simulations against tokamak a configuration variable (TCV) L-mode experiments. These simulations account for drifts, currents, kinetic neutrals, and carbon impurities providing the most complete edge transport simulations for TCV to date. The comparison is performed on nominally identical discharges carried out to assess the effectiveness of TCV’s divertor baffles in the framework of the European Plasma Exhaust program and employs numerous edge diagnostics providing a detailed code-experiment benchmark for TCV. The simulations show a qualitative consistency, but the quantitative differences remain, which are assessed herein. It is found that, for a given separatrix density, the simulations most notably yield a colder, and denser, divertor state with a higher divertor neutral pressure than measured.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Symmetry dilemmas in quantum computing for chemistry: A comprehensive analysis

Symmetry adaptation, universality, and gate efficiency are central but often competing requirements in quantum algorithms for electronic structure and many-body physics. For example, fully symmetry-adapted universal operator pools typically generate long and deep quantum circuits; gate-efficient universal operator pools generally break symmetries; and gate-efficient, fully symmetry-adapted operator pools may not be universal. In this work, we analyze such symmetry dilemmas both theoretically and numerically. On the theory side, we prove that the popular, gate-efficient operator pool consisting of singlet spin-adapted singles and perfect-pairing doubles is not universal when spatial symmetry is enforced. To demonstrate the strengths and weaknesses of the three types of pools, we perform numerical simulations using an adaptive algorithm paired with operator pools that are (i) fully symmetry-adapted and universal, (ii) fully symmetry-adapted and non-universal, and (iii) breaking a single symmetry and universal. Our numerical simulations encompass three physically relevant scenarios in which the target state is (i) the global ground state, (ii) the ground state crossed by a state differing in multiple symmetry properties, and (iii) the ground state crossed by a state differing in a single symmetry property. Our results show when symmetry-breaking but universal pools can be used safely, when enforcing at least one distinguishing symmetry suffices, and when a particular symmetry must be rigorously preserved to avoid variational collapse. Together, the formal and numerical analyses provide a practical guide for designing and benchmarking symmetry-adapted operator pools that balance universality, resource requirements, and robust state targeting in quantum simulations for chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Grover-QAOA for 3-SAT: quadratic speedup, fair-sampling, and parameter clustering

Abstract The SAT problem is a prototypical NP-complete problem of fundamental importance in computational complexity theory with many applications in science and engineering; as such, it has long served as an essential benchmark for classical and quantum algorithms. This study shows numerical evidence for a quadratic speedup of the Grover Quantum Approximate Optimization Algorithm (G-QAOA) over random sampling for finding all solutions to 3-SAT (All-SAT) and Max-SAT problems. G-QAOA is less resource-intensive and more adaptable for these problems than Grover’s algorithm, and it surpasses conventional QAOA in its ability to sample all solutions. We show these benefits by classical simulations of many-round G-QAOA on thousands of random 3-SAT instances. We also observe G-QAOA advantages on the IonQ Aria quantum computer for small instances, finding that current hardware suffices to determine and sample all solutions. Interestingly, a single-angle-pair constraint that uses the same pair of angles at each G-QAOA round greatly reduces the classical computational overhead of optimizing the G-QAOA angles while preserving its quadratic speedup. We also find parameter clustering of the angles. The single-angle-pair protocol and parameter clustering significantly reduce obstacles to classical optimization of the G-QAOA angles.

Zhang, Zewen (ORCID:000000032258613X)↗
DOE OSTI2022

Nonlinear dimension reduction for surrogate modeling using gradient information

We introduce a method for the nonlinear dimension reduction of a high-dimensional function $u:{\mathbb{R}}^d\rightarrow{\mathbb{R}}$, $d\gg 1$. Our objective is to identify a nonlinear feature map $g:{\mathbb{R}}^d\rightarrow{\mathbb{R}}^m$, with a prescribed intermediate dimension $m\ll d$, so that $u$ can be well approximated by $f\circ g$ for some profile function $f:{\mathbb{R}}^m\rightarrow{\mathbb{R}}$. We propose to build the feature map by aligning the Jacobian $\nabla g$ with the gradient $\nabla u$, and we theoretically analyze the properties of the resulting $g$. Once $g$ is built, we construct $f$ by solving a gradient-enhanced least squares problem. Our practical algorithm uses a sample $\{{\textbf{x}}^{(i)},u({\textbf{x}}^{(i)}),\nabla u({\textbf{x}}^{(i)})\}_{i=1}^N$ and builds both $g$ and $f$ on adaptive downward-closed polynomial spaces, using cross validation to avoid overfitting. We numerically evaluate the performance of our algorithm across different benchmarks, and explore the impact of the intermediate dimension $m$. We show that building a nonlinear feature map $g$ can permit more accurate approximation of $u$ than a linear $g$, for the same input data set.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Real-Time Identifiability of Power Distribution Network Topologies With Limited Monitoring

Recovering the distribution grid topology in real time is essential to perform several distribution system operator (DSO) functions. DSOs often do not have any direct monitoring of switch statuses to track reconfiguration. At the same time, installing real-time meters at a large number of buses is challenging due to the cost of endowing every metered bus with a real-time communication channel. The goal of this letter is to develop a meter placement strategy allowing DSOs to deploy only few real-time meters. After casting the topology recovery task as an optimization problem, a meter placement strategy ensuring unique recovery of the true topology is devised. A graph-theoretical approach is pursued to partition the grid into connected portions called observable islands . The proposed strategy then simply requires installing a meter in the path between every pair of boundary nodes , i.e., ends of edges connecting two different islands. Under some ideal assumptions, this placement strategy ensures unique recovery of the topology. The approach is also validated through numerical simulations under realistic scenarios using a standard IEEE benchmark feeder.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Bus Clustering for Distribution Grid Topology Identification

Recovering the distribution grid topology is essential to perform several distribution system operator functions. Many algorithms that address the topology recovery problem have already been proposed in the literature. Most are based on a priori information regarding which buses are fed by which substation; however, this information might not be available because frequent grid reconfigurations change the distribution grid portion connected to each substation. This paper addresses the problem of assigning every substation the set of buses that it is feeding, given field data. First, the aforementioned task is cast as a nonconvex optimization problem. Second, a relaxed version of the optimization problem is solved via the alternating direction method of multipliers. Finally, the performance of our approach is validated through numerical simulations of realistic scenarios using a standard IEEE benchmark feeder.

bus clustering↗
NASA NTRS1991

A critical comparison of two-equation turbulence models

Several two-equation models were proposed and tested against benchmark flows by various researchers. For each study, different numerical methods or codes were used to obtain the results which were reported to be an improvement over other models. However, these comparisons may be overshadowed by the different numerical schemes used to obtain the results. With this in mind, several existing two-equation turbulence models, including k-epsilon, k-tau, k-omega, and q-omega models, are implemented into a common flow solver code for near wall turbulent flows. The quality of each model is based on several criteria, including robustness and accuracy of predicting the turbulent quantities.

Lang, N. J.↗
NASA NTRS1990

On the numerical computation of nonlinear force-free magnetic fields

An algorithm has been developed to extrapolate nonlinear force-free magnetic fields from the photosphere, given the proper boundary conditions. This paper presents the results of this work, describing the mathematical formalism that was developed, the numerical techniques employed, and comments on the stability criteria and accuracy developed for these numerical schemes. An analytical solution is used for a benchmark test; the results show that the computational accuracy for the case of a nonlinear force-free magnetic field was on the order of a few percent (less than 5 percent). This newly developed scheme was applied to analyze a solar vector magnetogram, and the results were compared with the results deduced from the classical potential field method. The comparison shows that additional physical features of the vector magnetogram were revealed in the nonlinear force-free case.

Wu, S. T.↗
NASA NTRS1992

CFD applications in pump flows

The objective of the proposed paper is to develop a computational procedure that solves incompressible Navier-Stokes equations for pump flows. The solution method is based on the pseudo-compressibility approach and uses an implicit-upwind differencing scheme together with the Gauss-Seidel line relaxation method. The equations are solved in steadily rotating reference frames and the centrifugal force and the Coriolis force are added to the equation of motion. As a benchmark problem, the flow through the Rocketdyne inducer is numerically simulated. A coarse grid solution is obtained with a single zone by using an algebraic turbulence model. In multi-zone fine grid computation, a one-equation Baldwin-Barth turbulence model is utilized. Numerical results are compared with experimental measurements and a good agreement is found between the two. The resulting computer code is then applied to the flow analysis inside a two-stage fuel pump impeller operating at 80 percent, 100 percent, and 120 percent of design flow.

Kiris, Cetin↗
NASA NTRS2001

Validation of a High-Order Compact Code for Nonlinear Flows About Complex Geometric

The slides review computational requirements for nozzle exhaust flow and noise calculations and the current numerical method, validation of prefactored compact scheme on CAA benchmark problems, a curvilinear grid performance test of gust response of a Joukowski airfoil, airfoil surface RMS pressure distribution and far field noise radiation results for Joukowski airfoil in a vortical gust, boundary distance study for Joukowski airfoil problem, and performance of ICOMP parallel Macintosh cluster.

Hixon, Ray↗