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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Five Year Comparison of Mixing Height Determinations at the Savannah River Site

Air quality dispersion modeling is performed for the Savannah River Site (SRS) to demonstrate compliance with applicable regulations. The AMS/EPA Regulatory Model (AERMOD) modeling system is an EPA recommended model for air quality applications with a data preprocessor (AERMET) to incorporate meteorological data collected on site. AERMET parameterizes or calculates meteorological variables that are not directly measured onsite. One of the parameters estimated by AERMET is the atmospheric mixing height. While the mixing height is not currently a measurement input into AERMET, SRS has the capability to measure the local mixing height. The Savannah River National Laboratory (SRNL) operates a Vaisala CL31 Lidar Ceilometer which estimates mixing height from aerosol backscatter. This study compares the parameterized mixing height from AERMET to the ceilometer estimated mixing height for the current regulatory period at SRS incorporating data from 2015-2019. Results from this study showed the average daily minimum values (morning) from AERMET were an order of magnitude lower than the commonly used Holzworth (1972) method and the ceilometer estimated mixing heights. Additionally, on average, the ceilometer exhibited a daily maximum mixing height value that occurred 1-3 hours later than the AERMET estimated maximum. This difference is likely due to the nighttime atmospheric mixing height assumptions and calculations used by AERMET. The AERMET algorithm cuts off mixing height growth at sunset while the ceilometer data show ongoing evening convection typical of the southeastern United States. These results suggest that the AERMET parametrization scheme assumptions may not be representative of a forested landscape and evening convection which could account for more mixing overnight. The results obtained in this study are significant for air dispersion modeling applications for regulatory purposes and worker safety. Mixing height can impact model estimated pollutant concentrations. A greater mixing height will provide more volume for pollutant dispersion. This report documents efforts to quantify the dependence of mixing height inputs toward a conservative estimated pollutant concentration.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1993

An automatic multigrid method for the solution of sparse linear systems

An automatic version of the multigrid method for the solution of linear systems arising from the discretization of elliptic PDE's is presented. This version is based on the structure of the algebraic system solely, and does not use the original partial differential operator. Numerical experiments show that for the Poisson equation the rate of convergence of our method is equal to that of classical multigrid methods. Moreover, the method is robust in the sense that its high rate of convergence is conserved for other classes of problems: non-symmetric, hyperbolic (even with closed characteristics) and problems on non-uniform grids. No double discretization or special treatment of sub-domains (e.g. boundaries) is needed. When supplemented with a vector extrapolation method, high rates of convergence are achieved also for anisotropic and discontinuous problems and also for indefinite Helmholtz equations. A new double discretization strategy is proposed for finite and spectral element schemes and is found better than known strategies.

Shapira, Yair↗
NASA NTRS1989

International Conference on Numerical Methods in Fluid Dynamics, 11th, Williamsburg, VA, June 27-July 1, 1988, Proceedings

Recent advances in computational fluid dynamics (CFD) are discussed in reviews and reports. Topics addressed include CFD models in plasma dynamics, parallel computation for simulation studies, CFD for hypersonic airbreathing aircraft, multigrid methods for the steady incompressible Navier-Stokes equations, upwind differencing techniques, TV stable schemes for shock-interacting flows, Euler models of hypersonic vortex flows, parallel multilevel adaptive methods, and vortex methods for slightly viscous three-dimensional flows. Consideration is given to the accuracy of node-based solutions on irregular meshes, multigrid calculations for cascades, a finite-volume-element method for planar cavity flow, parallel heterogeneous mesh refinement for advection-diffusion equations, the convergence of the spectral-viscosity method for nonlinear conservation laws, and numerical simulations of Taylor vortices in a spherical gap.

Dwoyer, D. L.↗
DOE OSTI2024

Polyhedral Relaxations for Optimal Pump Scheduling of Potable Water Distribution Networks

The classic pump scheduling or optimal water flow (OWF) problem for water distribution networks (WDNs) minimizes the cost of power consumption for a given WDN over a fixed time horizon. In its exact form, the OWF is a computationally challenging mixed-integer nonlinear program (MINLP). It is complicated by nonlinear equality constraints that model network physics, discrete variables that model operational controls, and intertemporal constraints that model changes to storage devices. To address the computational challenges of the OWF, this paper develops tight polyhedral relaxations of the original MINLP, derives novel valid inequalities (or cuts) using duality theory, and implements novel optimization-based bound tightening and cut generation procedures. The efficacy of each new method is rigorously evaluated by measuring empirical improvements in OWF primal and dual bounds over 45 literature instances. The evaluation suggests that our relaxation improvements, model strengthening techniques, and a thoughtfully selected polyhedral relaxation partitioning scheme can substantially improve OWF primal and dual bounds, especially when compared with similar relaxation-based techniques that do not leverage these new methods.

bound tightening↗
DOE OSTI2022

A two-fluid single-column model of turbulent shallow convection. Part II: Single-column model formulation and numerics

The two-fluid single-column model of Thuburn et al. (Quart. J. R. Meteorol. Soc., 2019, 145, 1535–1550) is extended to include moisture and horizontal wind shear. Turbulent kinetic energy is introduced as a prognostic variable, dependence on a diagnosed boundary-layer height is removed, and subfilter fluxes are approximated using a two-fluid version of a Mellor–Yamada scheme. Three mechanisms for entrainment and detrainment processes are introduced, which represent entrainment of unstable air at the surface, forced detrainment of air at the top of the boundary/cloud layers, and turbulent mixing that relaxes the convective fluid to a reference profile. A semi-implicit Eulerian discretization replaces the semi-implicit semi-Lagrangian implementation of Thuburn et al. (Quart. J. R. Meteorol. Soc., 2019, 145, 1535–1550) to improve numerical stability and conservation. The equations for the implicit time step are solved using a quasi-Newton method, which is shown to perform well in numerical tests for conservation and convergence. The two-fluid single-column model presented in this article will be applied to simulations of shallow cumulus convection in Part III.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

MONACO: accurate biological network alignment through optimal neighborhood matching between focal nodes

Motivation: Alignment of protein–protein interaction networks can be used for the unsupervised prediction of functional modules, such as protein complexes and signaling pathways, that are conserved across different species. To date, various algorithms have been proposed for biological network alignment, many of which attempt to incorporate topological similarity between the networks into the alignment process with the goal of constructing accurate and biologically meaningful alignments. Especially, random walk models have been shown to be effective for quantifying the global topological relatedness between nodes that belong to different networks by diffusing node-level similarity along the interaction edges. However, these schemes are not ideal for capturing the local topological similarity between nodes. Results: Here, we propose MONACO, a novel and versatile network alignment algorithm that finds highly accurate pairwise and multiple network alignments through the iterative optimal matching of ‘local’ neighborhoods around focal nodes. Extensive performance assessment based on real networks as well as synthetic networks, for which the ground truth is known, demonstrates that MONACO clearly and consistently outperforms all other state-of-the-art network alignment algorithms that we have tested, in terms of accuracy, coherence and topological quality of the aligned network regions. Furthermore, despite the sharply enhanced alignment accuracy, MONACO remains computationally efficient and it scales well with increasing size and number of networks.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2000

Multigrid Relaxation of a Factorizable, Conservative Discretization of the Compressible Flow Equations

The second-order factorizable discretization of the compressible Euler equations developed by Sidilkover is extended to conservation form on general curvilinear body-fitted grids. The discrete equations are solved by symmetric collective Gauss-Seidel relaxation and FAS multigrid. Solutions for flow in a channel with Mach numbers ranging from 0.0001 to a supercritical Mach number are shown, demonstrating uniform convergence rates and no loss of accuracy in the incompressible limit. A solution for the flow around the leading edge of a semi-infinite parabolic body demonstrates that the scheme maintains rapid convergence for a flow containing a stagnation point.

Roberts, Thomas W.↗
DOE OSTI2025

Photon–photon chemical thermodynamics of frequency conversion processes in highly multimode systems

Abstract Frequency generation in highly multimode nonlinear optical systems is inherently a complex process, giving rise to an exceedingly convoluted landscape of evolution dynamics. While predicting and controlling the global conversion efficiencies in such nonlinear environments has long been considered impossible, here, we formally address this challenge even in scenarios involving a very large number of spatial modes. By utilizing fundamental notions from optical statistical mechanics, we develop a universal theoretical framework that effectively treats all frequency components as chemical reactants/products, capable of undergoing optical thermodynamic reactions facilitated by a variety of multi-wave mixing effects. These photon–photon reactions are governed by conservation laws that directly determine the optical temperatures and chemical potentials of the ensued chemical equilibria for each frequency species. In this context, we develop a comprehensive stoichiometric model and formally derive an expression that relates the chemical potentials to the optical stoichiometric coefficients, in a manner akin to atomic/molecular chemical reactions. This advancement unlocks new predictive capabilities that can facilitate the optimization of frequency generation in highly multimode photonic arrangements, surpassing the limitations of conventional schemes that rely exclusively on nonlinear optical dynamics. Notably, we identify a universal regime of Rayleigh–Jeans thermalization where an optical reaction at near-zero optical temperatures can promote the complete and entropically irreversible conversion of light to the fundamental mode at a target frequency. Our theoretical results are corroborated by numerical simulations in settings where second-harmonic generation, sum-frequency generation and four-wave mixing processes can manifest.

Optics↗
NASA NTRS1992

A pressure correction method for the calculation of compressible chemical reacting flows

A recently developed noniterative method for the solution of the transient fluid flow equations at all speed is extended to handle chemical reacting flows. The species conservation equations are loosely coupled into the predictor/multicorrector sequence of the solution procedure. A split-operator method separates the chemical kinetics terms from the fluid-dynamical terms, as well as an implicit differencing method enhance the numerical stability. The method was applied for turbulent diffusion flame calculations and for the analyses of high pressure, axisymmetric turbulent hypersonic nozzle flows. The diffusion flame results were compared with a similar pressure method for fast chemistry integration scheme without operator-splitting. Simulations of the nozzle flow indicated that the nonideal intermolecular effects must be included in the analysis and design of high pressure hypersonic nozzle.

Chen, Z. J.↗
NASA NTRS1995

The Method of Space-time Conservation Element and Solution Element: Development of a New Implicit Solver

The method of space-time conservation element and solution element is a nontraditional numerical method designed from a physicist's perspective, i.e., its development is based more on physics than numerics. It uses only the simplest approximation techniques and yet is capable of generating nearly perfect solutions for a 2-D shock reflection problem used by Helen Yee and others. In addition to providing an overall view of the new method, we introduce a new concept in the design of implicit schemes, and use it to construct a highly accurate solver for a convection-diffusion equation. It is shown that, in the inviscid case, this new scheme becomes explicit and its amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, its principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme.

Chang, S. C.↗
NASA NTRS2002

Spectral (Finite) Volume Method for Conservation Laws on Unstructured Grids II: Extension to Two Dimensional Scalar Equation

The framework for constructing a high-order, conservative Spectral (Finite) Volume (SV) method is presented for two-dimensional scalar hyperbolic conservation laws on unstructured triangular grids. Each triangular grid cell forms a spectral volume (SV), and the SV is further subdivided into polygonal control volumes (CVs) to supported high-order data reconstructions. Cell-averaged solutions from these CVs are used to reconstruct a high order polynomial approximation in the SV. Each CV is then updated independently with a Godunov-type finite volume method and a high-order Runge-Kutta time integration scheme. A universal reconstruction is obtained by partitioning all SVs in a geometrically similar manner. The convergence of the SV method is shown to depend on how a SV is partitioned. A criterion based on the Lebesgue constant has been developed and used successfully to determine the quality of various partitions. Symmetric, stable, and convergent linear, quadratic, and cubic SVs have been obtained, and many different types of partitions have been evaluated. The SV method is tested for both linear and non-linear model problems with and without discontinuities.

Wang, Z. J.↗
DOE OSTI2020

Coupling solidification kinetics with phase-behavior computations in hydrodynamic simulations of high-pressure, dynamic-compression processes

In this study, we report a numerical scheme to integrate models for the kinetics of solidification processes together with phase-behavior computations in the context of continuum-scale hydrodynamic simulations. The objective of the phase-behavior computations is to determine the pressure and temperature, given the following three sets of inputs: (1) an appropriate equation of state to describe our system, (2) the phase fraction(s) produced by the kinetic models, (3) and the volume and internal energy obtained by solving the conservation equations that govern the hydrodynamic behavior. The kinetics are assumed to be governed by the Kolmogorov–Johnson–Mehl–Avrami equation, and the nucleation and growth rates that enter into that equation are functions of the pressure and temperature produced by the phase-behavior computations. Our formulation allows for the fluid and solid phases to be at different temperatures (thermal nonequilibrium) and pressures (arising from surface-tension-induced Laplace contributions). The formulation is presented in a fairly general setting that is independent of any particular material, although we demonstrate it in some examples related to high-energy-density science applications where materials are rapidly compressed to pressures exceeding several gigapascals in less than a microsecond. We conclude with a critical evaluation of our approach and provide suggestions for future work to improve the predictive capabilities and generality of the models.

42 ENGINEERING↗
NASA NTRS2003

Inflow/Outflow Conditions for Unsteady Aerodynamics and Aeroacoustics in Nonuniform Flow

The effect of a nonuniform mean flow on the normal modes; the inflow/outflow nonreflecting boundary conditions; and the sound power are studied. The normal modes in an annular duct are computed using a spectral method in combination with a shooting method. The swirl causes force imbalance which couples the acoustic and vortical modes. The acoustic modes are distinguished from the vortical modes by their large pressure and small vorticity content. The mean swirl also produces a Doppler shift in frequency. This results in more counter-spinning modes cut-on at a given frequency than modes spinning with the swirl. Nonreflecting boundary conditions are formulated using the normal mode solutions. The inflow/outflow boundary conditions are implemented in a linearized Euler scheme and validated by computing the propagation of acoustic and vortical waves in a duct for a variety of swirling mean flows. Numerical results show that the evolution of the vortical disturbances is sensitive to the inflow conditions and the details of the wake excitations. All three components of the wake velocity must be considered to correctly compute the wake evolution and the blade upwash. For high frequencies, the acoustic-vortical mode coupling is weak and a conservation equation for the acoustic energy can be derived. Sound power calculations show significant mean flow swirl effects, but mode interference effects are small.

Atassi, Oliver V.↗
DOE OSTI2024

Stochastic finite volume method for uncertainty quantification of transient flow in gas pipeline networks

We develop a weakly intrusive framework to simulate the propagation of uncertainty in solutions of generic hyperbolic partial differential equation systems on graph-connected domains with nodal coupling and boundary conditions. The method is based on the Stochastic Finite Volume (SFV) approach and can be applied for uncertainty quantification (UQ) of the dynamical state of fluid flow over actuated transport networks. The numerical scheme has specific advantages for modeling intertemporal uncertainty in time-varying boundary parameters, which cannot be characterized by strict upper and lower (interval) bounds. We describe the scheme for a single pipe, and then formulate the controlled junction Riemann problem (JRP) that enables the extension to general network structures. In conclusion, we demonstrate the method's capabilities and performance characteristics using a standard benchmark test network.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Conditional Sixth-Harmonic Injection to Improve the Linear Modulation Range of Three-Phase Voltage-Source Converters

Overmodulation techniques are used to improve dc bus voltage utilization for three-phase voltage-source converters (VSCs), resulting in significant reduction in fundamental voltage gain. Conventional pulse width modulation (PWM) techniques for three-phase VSCs cannot enhance the linear range of dc bus utilization by more than 15.5%. Here, in this letter, a conditional sixth-harmonic injection technique is introduced, which can theoretically improve the linear modulation range by up to 19.2% for three-phase ac systems without additional hardware components. Experimental validation of the proposed scheme is presented, with its performance compared against the conventional third-harmonic PWM technique.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Tree hydrodynamic modelling of the soil–plant–atmosphere continuum using FETCH3

Modelling the water transport along the soil–plant–atmosphere continuum is fundamental to estimating and predicting transpiration fluxes. A Finite-difference Ecosystem-scale Tree Crown Hydrodynamics model (FETCH3) for the water fluxes across the soil–plant–atmosphere continuum is presented here. The model combines the water transport pathways into one vertical dimension, and assumes that the water flow through the soil, roots, and above-ground xylem can be approximated as flow in porous media. This results in a system of three partial differential equations, resembling the Richardson–Richards equation, describing the transport of water through the plant system and with additional terms representing sinks and sources for the transfer of water from the soil to the roots and from the leaves to the atmosphere. The numerical scheme, developed in Python 3, was tested against exact analytical solutions for steady state and transient conditions using simplified but realistic model parameterizations. The model was also used to simulate a previously published case study, where observed transpiration rates were available, to evaluate model performance. With the same model setup as the published case study, FETCH3 results were in agreement with observations. Through a rigorous coupling of soil, root xylem, and stem xylem, FETCH3 can account for variable water capacitance, while conserving mass and the continuity of the water potential between these three layers. FETCH3 provides a ready-to-use open access numerical model for the simulation of water fluxes across the soil–plant–atmosphere continuum.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2013

High-Order Entropy Stable Formulations for Computational Fluid Dynamics

A systematic approach is presented for developing entropy stable (SS) formulations of any order for the Navier-Stokes equations. These SS formulations discretely conserve mass, momentum, energy and satisfy a mathematical entropy inequality. They are valid for smooth as well as discontinuous flows provided sufficient dissipation is added at shocks and discontinuities. Entropy stable formulations exist for all diagonal norm, summation-by-parts (SBP) operators, including all centered finite-difference operators, Legendre collocation finite-element operators, and certain finite-volume operators. Examples are presented using various entropy stable formulations that demonstrate the current state-of-the-art of these schemes.

Carpenter, Mark H.↗
NASA NTRS1985

Two dimensional and axisymmetric heat transfer results with the CSCM upwind implicit algorithm

The single level conservative supra characteristic method (CSCM-S) is an upwind implicit method that is very robust and in a single level relaxation format makes efficient use of computer resources, and is very rapidly convergent. These factors render the unconditionally stable algorithm a useful compromise between Parabolized Navier-Stokes methods and two level linearized implicit time dependent methods and, thus, the method is very attractive for multidimensional Navier-Stokes problems. In this paper the heat transfer prediction capabilities of the CSCM schemes for flat plate, nozzle, blunt cone and bluff body flows are reported for the first time. Results are compared with available experimental heat transfer measurements.

Bardina, J.↗