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DOE OSTI2019

IMEX and exact sequence discretization of the multi-fluid plasma model

Multi-fluid plasma models, where an electron fluid is modeled in addition to multiple ion and neutral species as well as the full set of Maxwell's equations, are useful for representing physics beyond the scope of classic MHD. This advantage presents challenges in appropriately dealing with electron dynamics and electromagnetic behavior characterized by the plasma and cyclotron frequencies and the speed of light. For physical systems, such as those near the MHD asymptotic regime, this requirement drastically increases runtimes for explicit time integration even though resolving fast dynamics may not be critical for accuracy. Implicit time integration methods, with efficient solvers, can help to step over fast time-scales that constrain stability, but do not strongly influence accuracy. As an extension, Implicit-explicit (IMEX) schemes provide an additional mechanism to choose which dynamics are evolved using an expensive implicit solve or resolved using a fast explicit solve. In this study, in addition to IMEX methods we also consider a physics compatible exact sequence spatial discretization. Here, this combines nodal bases (H-Grad) for fluid dynamics with a set of vector bases (H-Curl and H-Div) for Maxwell's equations. This discretization allows for multi-fluid plasma modeling without violating Gauss' laws for the electric and magnetic fields. This initial study presents a discussion of the major elements of this formulation and focuses on demonstrating accuracy in the linear wave regime and in the MHD limit for both a visco-resistive and a dispersive ideal MHD problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Numerical discreteness errors in multispecies cosmological N -body simulations

ABSTRACT We present a detailed analysis of numerical discreteness errors in two-species, gravity-only, cosmological simulations using the density power spectrum as a diagnostic probe. In a simple set-up where both species are initialized with the same total matter transfer function, biased growth of power forms on small scales when the solver force resolution is finer than the mean interparticle separation. The artificial bias is more severe when individual density and velocity transfer functions are applied. In particular, significant large-scale offsets in power are measured between simulations with conventional offset grid initial conditions when compared against converged high-resolution results where the force resolution scale is matched to the interparticle separation. These offsets persist even when the cosmology is chosen so that the two particle species have the same mass, indicating that the error is sourced from discreteness in the total matter field as opposed to unequal particle mass. We further investigate two mitigation strategies to address discreteness errors: the frozen potential method and softened interspecies short-range forces. The former evolves particles under the approximately ‘frozen’ total matter potential in linear theory at early times, while the latter filters cross-species gravitational interactions on small scales in low-density regions. By modelling closer to the continuum limit, both mitigation strategies demonstrate considerable reductions in large-scale power spectrum offsets.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Novel Geometric Operations for Linear Programming

This report summarizes the work performed under the project "Linear Programming in Strongly Polynomial Time." Linear programming (LP) is a classic combinatorial optimization problem heavily used directly and as an enabling subroutine in integer programming (IP). Specifically IP is the same as LP except that some solution variables must take integer values (e.g. to represent yes/no decisions). Together LP and IP have many applications in resource allocation including general logistics, and infrastructure design and vulnerability analysis. The project was motivated by the PI's recent success developing methods to efficiently sample Voronoi vertices (essentially finding nearest neighbors in high-dimensional point sets) in arbitrary dimension. His method seems applicable to exploring the high-dimensional convex feasible space of an LP problem. Although the project did not provably find a strongly-polynomial algorithm, it explored multiple algorithm classes. The new medial simplex algorithms may still lead to solvers with improved provable complexity. We describe medial simplex algorithms and some relevant structural/complexity results. We also designed a novel parallel LP algorithm based on our geometric insights and implemented it in the Spoke-LP code. A major part of the computational step is many independent vector dot products. Our parallel algorithm distributes the problem constraints across processors. Current commercial and high-quality free LP solvers require all problem details to fit onto a single processor or multicore. Our new algorithm might enable the solution of problems too large for any current LP solvers. We describe our new algorithm, give preliminary proof-of-concept experiments, and describe a new generator for arbitrarily large LP instances.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1989

A genuinely multi-dimensional upwind cell-vertex scheme for the Euler equations

The solution of the two-dimensional Euler equations is based on the two-dimensional linear convection equation and the Euler-equation decomposition developed by Hirsch et al. The scheme is genuinely two-dimensional. At each iteration, the data are locally decomposed into four variables, allowing convection in appropriate directions. This is done via a cell-vertex scheme with a downwind-weighted distribution step. The scheme is conservative, and third-order accurate in space. The derivation and stability analysis of the scheme for the convection equation, and the derivation of the extension to the Euler equations are given. Preconditioning techniques based on local values of the convection speeds are discussed. The scheme for the Euler equations is applied to two channel-flow problems. It is shown to converge rapidly to a solution that agrees well with that of a third-order upwind solver.

Powell, Kenneth G.↗

DOE OSTI2018

Hybrid iterative approach for simulation of radio-frequency fields in plasma

In this work, a novel iterative approach for solving discretized linear wave equations in a frequency domain, which combines time evolution with iterative relaxation schemes, is presented. In this hybrid approach, each iteration cycle consists of evolution of electromagnetic (EM) fields in time over a specified number of field periods followed by several iterative relaxations. Provided that there is sufficient dissipation, both the time evolution and the iterative relaxations contribute to the convergence of the EM fields to the solution of the formulated full wave boundary value problem. Time evolution rapidly distributes EM fields, propagating with group velocity, over the simulation domain, while the iterative relaxations smooth the fields, reducing the numerical errors such that iteration cycles converge to a steady state solution, approximating the solution of the formulated problem. This approach is intended for large scale simulations which are beyond the capabilities of direct solvers presently used for solving wave equations in the frequency domain. Lastly, the technique is demonstrated for solving wave equations on a regular grid using a cold plasma dielectric model with collisions for 2D modeling of EM fields in tokamak in an electron cyclotron frequency range.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2002

Multi-dimensional Upwind Fluctuation Splitting Scheme with Mesh Adaption for Hypersonic Viscous Flow

A multi-dimensional upwind fluctuation splitting scheme is developed and implemented for two-dimensional and axisymmetric formulations of the Navier-Stokes equations on unstructured meshes. Key features of the scheme are the compact stencil, full upwinding, and non-linear discretization which allow for second-order accuracy with enforced positivity. Throughout, the fluctuation splitting scheme is compared to a current state-of-the-art finite volume approach, a second-order, dual mesh upwind flux difference splitting scheme (DMFDSFV), and is shown to produce more accurate results using fewer computer resources for a wide range of test cases. A Blasius flat plate viscous validation case reveals a more accurate upsilon-velocity profile for fluctuation splitting, and the reduced artificial dissipation production is shown relative to DMFDSFV. Remarkably, the fluctuation splitting scheme shows grid converged skin friction coefficients with only five points in the boundary layer for this case. The second half of the report develops a local, compact, anisotropic unstructured mesh adaptation scheme in conjunction with the multi-dimensional upwind solver, exhibiting a characteristic alignment behavior for scalar problems. The adaptation strategy is extended to the two-dimensional and axisymmetric Navier-Stokes equations of motion through the concept of fluctuation minimization.

Wood, William A., III↗

DOE OSTI2024

Discrete-Element and Material-Point Method (DEM and MPM) Based Solvers for Sustainable Technologies

We present the use of discrete element method (DEM) and material point method (MPM) in three relevant green technology applications that include biomass feedstock handling, lithium-ion battery manufacturing, and high-pressure reverse osmosis. Our open-source DEM and MPM solvers are developed using performance portable grid and particle management library, AMReX, thus enabling superior performance on NVIDIA and AMD GPUs with > 100 million particles. Our DEM solver resolves the motion of individual particles in a granular system and includes a bonded sphere method for modeling non-spherical particles along with Hertzian and liquid bridge-based contact models. We simulate highly variable biomass feedstock flows in large-scale hoppers for biofuel production and electrode calendering in battery manufacturing using DEM. Our simulations predict flow blockage in large scale biomass hoppers and electrode microstructure variations, thus providing valuable information for biofuel and battery manufacturers, respectively. The second half of the talk will be on MPM and its application towards pore resolved simulations of reverse osmosis membranes under compressive loads. We present a validation study of our MPM simulations with membrane microscopy imaging thus providing useful insights on membrane stability under high pressure conditions. We also present a spectral stability analysis of using linear hat, quadratic and cubic spline basis in MPM indicating regions of numerical stability.

BIOMASS FUELS,MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Surface-Normal Active Flow Control for Lift Enhancement and Separation Mitigation for High-Lift Common Research Model

This study explores the feasibility of using small surface-normal jets near the flap trailing edge as active aerodynamic load control on the high-lift Common Research Model wing/-body configuration. Chimera Grid Tools are utilized to generate structured curvilinear overset grids, and the Reynolds-averaged Navier-Stokes solver OVERFLOW is employed to solve for the flow-field around the geometry. The so-called microjet is initially employed across both the inboard and the outboard flaps on the pressure-side near the trailing edge. It is shown that implementing the microjet on the inboard flap is more effective compared to implementing it on the outboard flap. This is because, prior to microjet implementation, the flow on the outboard flap exhibits extensive separation, while the flow on the inboard flap exhibits moderate separation. For microjet implementation across the inboard flap only, the relationship between momentum coefficient of the microjet and lift-enhancement is found to be∆CL'1.66√Cμfor the rangeCμ= 0.00−0.012. We show that implementing a microjet with a jet velocity ratio of one, which corresponds toCμ= 0.003, can shift the linear region of the lift curve by ∆CL= 0.08. The linear shift in the lift curve is significant for enhancing airplane performance such as increasing its payload. Microjet implementation effects on the drag coefficient are also investigated through a drag decomposition analysis. Further, we employ an induced drag analysis based on the spanwise load distribution and show that the microjet-related increase in pressure drag coefficient is dominated by the increase in the induced drag while microjet implementation reduces the form drag. These preliminary results show that favorable changes in aerodynamic performance can be achieved by using the surface-normal jets presented in this study.

ARMD↗

DOE OSTI2024

ReEDS Performance Improvement

The Regional Energy Deployment System (ReEDS) is an open-source, spatially explicit, long-term capacity expansion model for the bulk electric power system of the contiguous United States, encompassing multiple scenarios with technological and political assumptions (see https://github.com/NREL/ReEDS-2.0). With the increased needs for capabilities, higher temporal and spatial resolutions to model the evolution of the power system with modern technologies and low-carbon pathways, ReEDS' model solution times have increased significantly from 4-6 hours in 2018 to 18-48+ hours in 2023 . Also, the model size for commonly-run ReEDS scenarios reached 22 and 28 million equations and variables, respectively. These runtimes can be especially challenging under certain scenario settings (e.g., very high temporal or spatial resolution) or with limited computational power. In this presentation, we will discuss several methods we used to improve model runtime, including data preparation, model modification, and solver tuning. The implementation of these methods shrank the model size to 7.2 and 7.3 million equations and variables, respectively. Furthermore, this led to a 77% reduction in the model's run time for commonly-run ReEDS scenarios. We will discuss the process of identifying areas for solve time improvements and how the specific enhancements for the ReEDS model might be applied to other similar large-scale models.

ENERGY PLANNING, POLICY, AND ECONOMY,MATHEMATICS A↗

DOE OSTI2017

Aeroelastic oscillations of a cantilever with structural nonlinearities: theory and numerical simulation.

Our study details the derivation of the nonlinear equations of motion for the axial, biaxial bending and torsional vibrations of an aeroelastic cantilever undergoing rigid body (pitch) rotation at the base. The primary attenstion is focussed on the geometric nonlinearities of the system, whereby the aeroelastic load is modeled by the theory of linear quasisteady aerodynamics. This modelling effort is intended to mimic the wind-tunnel experimental setup at the Royal Military College of Canada. While the derivation closely follows the work of Hodges and Dowell [1] for rotor blades, this aeroelastic system contains new inertial terms which stem from the fundamentally different kinematics than those exhibited by helicopter or wind turbine blades. Using the Hamilton’s principle, a set of coupled nonlinear partial differential equations (PDEs) and an ordinary differential equation (ODE) are derived which describes the coupled axial-bending-bending-torsion-pitch motion of the aeroelastic cantilever with the pitch rotation. The finite dimensional approximation of the coupled system of PDEs are obtained using the Galerkin projection, leading to a coupled system of ODEs. Subsequently, these nonlinear ODEs are solved numerically using the built-in MATLAB implicit ODE solver and the associated numerical results are compared with those obtained using Houbolt’s method. It is demonstrated that the system undergoes coalescence flutter, leading to a limit cycle oscillation (LCO) due to coupling between the rigid body pitching mode and teh flexible mode arising from the flapwise bending motion.

42 ENGINEERING↗

DOE OSTI2019

Optimal Voltage Reference for Droop-Based DERs in Distribution Systems

Due to the newly issued standards on distributed energy resources (DERs), the droop-based operation modes (Q-V and P-V droops) become a requirement for all the interconnected DER units at the distribution level. Voltage references of the DER units can be assigned to improve the operational behavior of the distribution system in the smart grid context. This paper presents a novel formulation for optimally setting voltage reference of the droop-based DER units in distribution systems with the objective of minimizing the system ohmic loss. This problem is formulated as a mixed-integer quadratic convex optimization problem in MATLAB and solved by the MATLAB and CPLEX solvers. The IEEE 123-bus system and the EPRI test system Ckt5 are used to validate the proposed formulation. The result obtained from the proposed formulation is compared with the result of the original problem solved by the heuristic method. Based on the numerical study results, system loss can be reduced after the proposed voltage reference assignment. The computational expense of the new formulation is also much lower than that of the heuristic approach.

distributed energy resource integration↗

DOE OSTI2023

Encoding trade-offs and design toolkits in quantum algorithms for discrete optimization: coloring, routing, scheduling, and other problems

Challenging combinatorial optimization problems are ubiquitous in science and engineering. Several quantum methods for optimization have recently been developed, in different settings including both exact and approximate solvers. Addressing this field of research, this manuscript has three distinct purposes. First, we present an intuitive method for synthesizing and analyzing discrete (i.e., integer-based) optimization problems, wherein the problem and corresponding algorithmic primitives are expressed using a discrete quantum intermediate representation (DQIR) that is encoding-independent. This compact representation often allows for more efficient problem compilation, automated analyses of different encoding choices, easier interpretability, more complex runtime procedures, and richer programmability, as compared to previous approaches, which we demonstrate with a number of examples. Second, we perform numerical studies comparing several qubit encodings; the results exhibit a number of preliminary trends that help guide the choice of encoding for a particular set of hardware and a particular problem and algorithm. Our study includes problems related to graph coloring, the traveling salesperson problem, factory/machine scheduling, financial portfolio rebalancing, and integer linear programming. Third, we design low-depth graph-derived partial mixers (GDPMs) up to 16-level quantum variables, demonstrating that compact (binary) encodings are more amenable to QAOA than previously understood. We expect this toolkit of programming abstractions and low-level building blocks to aid in designing quantum algorithms for discrete combinatorial problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Mapping Spiking Neural Networks to Heterogeneous Crossbar Architectures using Integer Linear Programming

Advances in novel hardware devices and architectures allow Spiking Neural Network (SNN) evaluation using ultra-low power, mixed-signal, memristor crossbar arrays. As individual network sizes quickly scale beyond the dimensional capabilities of single crossbars, networks must be mapped onto multiple crossbars. Crossbar sizes within modern Memristor Crossbar Architectures (MCAs) are determined predominately not by device technology but by network topology; more, smaller crossbars consume less area thanks to the high structural sparsity found in larger, brain-inspired SNNs. Motivated by continuing increases in SNN sparsity due to improvements in training methods, we propose utilizing heterogeneous crossbar sizes to further reduce area consumption. This approach was previously unachievable as prior compiler studies only explored solutions targeting homogeneous MCAs. Our work improves on the state-of-the-art by providing Integer Linear Programming (ILP) formulations supporting arbitrarily heterogeneous architectures. By modeling axonal interactions between neurons, our methods produce better mappings while removing inhibitive a priori knowledge requirements. We first show a 16.7-27.6% reduction in area consumption for square-crossbar homogeneous architectures. Then, we demonstrate 66.9-72.7% further reduction when using a reasonable configuration of heterogeneous crossbar dimensions. Next, we present a new optimization formulation capable of minimizing the number of inter-crossbar routes. When applied to solutions already near-optimal in area, an 11.9-26.4% routing reduction is observed without impacting area consumption. Finally, we present a profile-guided optimization capable of minimizing the number of runtime spikes between crossbars. Compared to the best-area-then-route optimized solutions, we observe a further 0.5-14.8% inter-crossbar spike reduction while requiring 1–3 orders of magnitude less solver time.

Pohl, Devin [ORNL] (ORCID:0009000040149027)↗

NASA NTRS2023

CFD Integrated Transition Modeling for High-Speed Flows via Coupled OVERFLOW-LASTRAC Analysis

This work details ongoing efforts at the NASA Langley Research Center to develop and validate a general-use CFD tool that includes built-in predictions of boundary-layer transition in high-speed flows. Existing tools for the coupling of the NASA OVERFLOW structured overset RANS solver and LASTRAC stability analysis code have been extended to capture boundary-layer transition in high-speed flows driven by either Mack’s first-mode or secondmode instabilities and/or crossflow instabilities. The efficacy of this coupled approach has been demonstrated by examining a variety of supersonic and hypersonic test cases for which experimental validation data is available. The intermittency prescription parameters inherited from prior low-speed applications are found to be suitable for some, but not all high-speed flow scenarios. The method is found to be robust for straight cone configurations and improvements necessary to accurately capture transition on geometries with spatially complex amplification factor envelopes with intermediate regions of slow N-factor variation are examined. The automated, coupled analysis is demonstrated for a 3d supersonic test case and found to perform well within the limits of the linear stability analysis on which it relies. Finally, a preliminary investigation of the method’s robustness to non-ideal CFD meshes is conducted.

High-speed flow↗

NASA NTRS2014

Adjoint Methods for Adjusting Three-Dimensional Atmosphere and Surface Properties to Fit Multi-Angle/Multi-Pixel Polarimetric Measurements

This paper derives an efficient procedure for using the three-dimensional (3D) vector radiative transfer equation (VRTE) to adjust atmosphere and surface properties and improve their fit with multi-angle/multi-pixel radiometric and polarimetric measurements of scattered sunlight. The proposed adjoint method uses the 3D VRTE to compute the measurement misfit function and the adjoint 3D VRTE to compute its gradient with respect to all unknown parameters. In the remote sensing problems of interest, the scalar-valued misfit function quantifies agreement with data as a function of atmosphere and surface properties, and its gradient guides the search through this parameter space. Remote sensing of the atmosphere and surface in a three-dimensional region may require thousands of unknown parameters and millions of data points. Many approaches would require calls to the 3D VRTE solver in proportion to the number of unknown parameters or measurements. To avoid this issue of scale, we focus on computing the gradient of the misfit function as an alternative to the Jacobian of the measurement operator. The resulting adjoint method provides a way to adjust 3D atmosphere and surface properties with only two calls to the 3D VRTE solver for each spectral channel, regardless of the number of retrieval parameters, measurement view angles or pixels. This gives a procedure for adjusting atmosphere and surface parameters that will scale to the large problems of 3D remote sensing. For certain types of multi-angle/multi-pixel polarimetric measurements, this encourages the development of a new class of three-dimensional retrieval algorithms with more flexible parametrizations of spatial heterogeneity, less reliance on data screening procedures, and improved coverage in terms of the resolved physical processes in the Earth's atmosphere.

linearization↗

DOE OSTI2017

Computational Study of Droplet Dynamics in Dispersed Flow Film Boiling Regime in PWR Geometries

Dispersed flow film boiling (DFFB) regime is exhibited during low-flooding rate conditions following the postulated Loss-of-Coolant Accident (LOCA) in nuclear reactor flow channels. LOCA is a type of design-basis accident scenario, which is crucial for reactor design and licensing. Accurate models to predict the heat transfer in DFFB regime is critical for the reactor to maintain safety limits. The nominal operating linear heat rate is also set based on the maximum linear heat rate determined for a LOCA transient. It is understood that the behavior of entrained droplets in DFFB regime greatly affects the heat transfer by evaporating and desuperheating the surrounding steam. Furthermore, interaction with flow structures also aids in increasing the evaporation rate of entrained droplets. In order to quantify this enhancement in heat transfer, the size of droplets downstream of flow structures (Spacer Grids and Mixing Vanes) is of crucial importance. Thermal hydraulic analysis codes like COBRA-TF, CATHARE-3 and adopt a three-field equation model that allows them to model the droplet field separately. However, to ensure the accuracy of these field equations, various correlations and physical models are required. This paper proposes a method for characterizing the mean Sauter Diameter of droplets across spacer-grids and mixing vanes in PWR sub-channels using PHASTA - a high fidelity flow solver with multiphase capabilities using the level-set method. The PHASTA code is a finite element based computational fluid dynamics code designed for solving compressible and incompressible turbulent flows. It has been demonstrated to be massively scalable (up to 786,432 cores), which is crucial for simulating large realistic domains. The code incorporates the level-set method for interface tracking of the gas-liquid interface.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2014

Adjoint Methods for Adjusting Three-Dimensional Atmosphere and Surface Properties to Fit Multi-Angle Multi-Pixel Polarimetric Measurements

adjoint methods↗

DOE OSTI2018

An Efficient Multiscale Finite-Element Method for Frequency-Domain Seismic Wave Propagation

The frequency-domain seismic-wave equation, that is, the Helmholtz equation, has many important applications in seismological studies, yet is very challenging to solve, particularly for large geological models. Iterative solvers, domain decomposition, or parallel strategies can partially alleviate the computational burden, but these approaches may still encounter nontrivial difficulties in complex geological models where a sufficiently fine mesh is required to represent the fine-scale heterogeneities. We develop a novel numerical method to solve the frequency-domain acoustic wave equation on the basis of the multiscale finite-element theory. We discretize a heterogeneous model with a coarse mesh and employ carefully constructed high-order multiscale basis functions to form the basis space for the coarse mesh. Solved from medium- and frequency-dependent local problems, these multiscale basis functions can effectively capture themedium’s fine-scale heterogeneity and the source’s frequency information, leading to a discrete system matrix with a much smaller dimension compared with those from conventional methods.We then obtain an accurate solution to the acoustic Helmholtz equation by solving only a small linear system instead of a large linear system constructed on the fine mesh in conventional methods.We verify our new method using several models of complicated heterogeneities, and the results show that our new multiscale method can solve the Helmholtz equation in complex models with high accuracy and extremely low computational costs.

58 GEOSCIENCES↗