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DOE OSTI2021

A consistent and conservative model and its scheme for N -phase- M -component incompressible flows

Here, we propose a consistent and conservative model for multiphase and multicomponent incompressible flows, where there can be arbitrary numbers of phases and components. Each phase has a background fluid called the pure phase, each pair of phases is immiscible, and components are dissolvable in some specific phases. The model is developed based on the multiphase Phase-Field model including the contact angle boundary condition, the diffuse domain approach, and the analyses on the proposed consistency conditions for multiphase and multicomponent flows. The model conserves the mass of individual pure phases, the amount of each component in its dissolvable region, and thus the mass of the fluid mixture, and the momentum of the flow. It ensures that no fictitious phases or components can be generated and that the summation of the volume fractions from the Phase-Field model is unity everywhere so that there is no local void or overfilling. It satisfies a physical energy law and it is Galilean invariant. A corresponding numerical scheme is developed for the proposed model, whose formal accuracy is 2nd-order in both time and space. It is shown to be consistent and conservative and its solution is demonstrated to preserve the Galilean invariance and energy law. Numerical tests indicate that the proposed model and scheme are effective and robust to study various challenging multiphase and multicomponent flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1974

Investigation of space shuttle launch vehicle external tank nose configuration effects (model 67-OTS) in the Rockwell International 7 by 7 foot trisonic wind tunnel (IA69)

Wind tunnel aerodynamic investigations were conducted on an 0.015-scale representation of the space shuttle launch configuration. The primary test objectives were to investigate shock wave formation and record the aerodynamic stability and control effects generated by a new external tank nose configuration (MCR 467) at a Mach number of 1.2. Schlieren photographs were taken at angles of attack of -4 deg, 0 deg, and 4 deg, beta = 0 deg with force and pressure data recorded over the alpha range of -4 deg equal to or less than alpha equal to or less than 4 deg at beta = + or - 4 deg. The launch configuration model, consisting of the VL70-00014OA/B Orbiter, the VL78-000041B ET, and the VL77-000036A SRBs, was sting mounted on a 2.5-inch Task type internal balance entering through the ET base region. Wing, body, and base pressure lines for all orifices were routed internally through the model to the sting support system. Parametric variation consisted only of altering the ET nose configuration.

Mennell, R.↗

DOE OSTI2026

Modeling the effect of MHD activity on runaway electron generation during SPARC disruptions

Magnetohydrodynamic (MHD) instabilities and runaway electrons (REs) interact in several ways, making it important to self-consistently model these interactions for accurate predictions of RE generation and the design of mitigation strategies, such as massive gas injection (MGI). Using M3D-C1 – an extended MHD code with a RE fluid model – we investigate the effects of 3-D nonlinear MHD activity, material injection, and 2-D axisymmetric vertical displacement events (VDEs) on RE evolution during disruptions on SPARC – a high-field, high-current tokamak designed to achieve a fusion gain Q > 1. Several cases, comprising different combinations of neon (Ne) and deuterium (D 2 ) injection, are considered. Here, our results demonstrate key effects that arise from the self-consistent RE + MHD coupling, such as an initial increase in RE generation due to MHD instability growth, decreased saturation energies of the m/n = 1/1 mode driving sawteeth-like activity, RE losses in stochastic magnetic fields, and subsequent RE confinement and plateau formation due to re-healing of flux surfaces. Large RE plateaus (>5 MA) are obtained with Ne-only injection (2-5 × 10 21 atoms), while combined D 2 + Ne injection (2 × 10 21 Ne atoms; 1.8 × 10 22 D 2 molecules) produces a lower RE current (<2 MA). With D 2 + Ne injection, a post thermal quench "cold" VDE terminates the RE beam, preventing a steady plateau. These simulations couple REs, 3-D MHD instabilities, MGI, and axisymmetric VDEs for the first time in SPARC disruption simulations and represent a crucial step in understanding RE generation and mitigation in high-current devices like SPARC.

Datta, Rishabh [Massachusetts Inst. of Technology ↗

DOE OSTI2024

Complete quasilinear model for the acceleration-driven lower hybrid drift instability and a computational assessment of its validity

A complete quasilinear model is derived for the electrostatic acceleration-driven lower hybrid drift instability in a uniform two-species low-beta plasma in which current is perpendicular to the background magnetic field. The model consists of coupled nonlinear velocity space diffusion equations for the volume-averaged ion and electron distribution functions. Each species' diffusion coefficient depends on a time-evolving spectral density of the electric-field energy per unit volume and a time-evolving dispersion relation. The dispersion relation is expressed analytically in integral form without the use of asymptotic limits and applies to arbitrary distribution functions, so long as they can be expressed as a function of one velocity coordinate, e.g., f⁡(vy) or f⁡(v⊥). The quasilinear model conserves energy and is complete in that it fully describes the evolution of the distribution functions, including resonant and nonresonant particle-wave interactions, while accounting for distribution-function-dependent mixed-complex frequencies. Further, the quasilinear diffusion model is solved numerically and self-consistently using a Crank-Nicolson temporal discretization and a second-order finite-volume velocity-space discretization. Numerical solutions are compared to nonlinear fourth-order accurate continuum kinetic Vlasov-Poisson simulations. Evolution of electric-field energy, growth rates, distribution functions, and diffusion coefficients are shown to be in agreement with Vlasov simulations. The quasilinear model is shown to predict anomalous transport terms, like resistivity and heating, to within a factor of order unity. Discrepancies between the quasilinear model and Vlasov simulations are assessed and attributed primarily to lack of damping in the quasilinear description and to the use of unperturbed-orbit susceptibilities in the linear theory dispersion relation. The results illuminate the predictive accuracy of the quasilinear model, place approximate bounds on its validity, and provide much needed vetting of quasilinear theory's ability to predict the nonlinear state of a microturbulent plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1975

Derivation of equations of motion for multi-blade rotors employing coupled modes and including high twist capability

The equations of motion are derived for a multiblade rotor. A high twist capability and coupled flatwise-edgewise assumed normal modes are employed instead of uncoupled flatwise - edgewise assumed normal models. The torsion mode is uncoupled. Support system models, consisting of complete helicopters in free flight, or grounded flexible supports, arbitrary rotor-induced inflow, and arbitrary vertical gust models are also used.

Sopher, R.↗

NASA NTRS1983

Overlay coating degradation by simultaneous oxidation and coating/substrate interdiffusion

Degradation of NiCrAlZr overlay coatings on various NiCrAl substrates was examined after cyclic oxidation. Concentration/distance profiles were measured in the coating and substrate after various oxidation exposures at 1150 C. For each stubstrate, the Al content in the coating decreased rapidly. The concentration/distance profiles, and particularly that for Al, reflected the oxide spalling resistance of each coated substrate. A numerical model was developed to simulate diffusion associated with overlay-coating degradation by oxidation and coating/substrate interdiffusion. Input to the numerical model consisted of the Cr and Al content of the coating and substrate, ternary diffusivities, and various oxide spalling parameters. The model predicts the Cr and Al concentrations in the coating and substrate after any number of oxidation/thermal cycles. The numerical model also predicts coating failure based on the ability of the coating to supply sufficient Al to the oxide scale. The validity of the model was confirmed by comparison of the predicted and measured concentration/distance profiles. The model was subsequently used to identify the most critical system parameters affecting coating life.

Nesbitt, J. A.↗

NASA NTRS1985

Foundations for the numerical solution of the Euler equations

The Navier-Stokes equations represent an extremely good model of the physical phenomena encountered in most aeronautical problems. However, the computational resource needed to solve the Navier-Stokes equations are so large that even with today's supercomputers, it is necessary to make use of simpler models. A large number of external aerodynamic problems can be accurately described by a simpler model. This model consists of an outer inviscid flow plus a boundary-layer thickness correction for the vehicle shape. The outer inviscid model may be represented by the potential equation or by the Euler equation. The present paper provides the foundations for the numerical solution of the Euler equations. The governing equations are considered, taking into account conservation laws, the medium, the differential form of the conservation laws, generalized solutions, shock-fitting, and characteristics. Attention is also given to initial and boundary conditions, existence and uniqueness, and rotational phenomena.

Salas, M. D.↗

NASA NTRS1987

Component response to random vibratory motion of the carrier vehicle

Two physical models of component plus supporting substructure are considered. Each model consists of a rigid body attached to a moving base by means of linear springs and viscous dampers. The second model differs from the first in that its dampers are elastically supported. The first model receives the more extensive treatment. Base motion, assumed a random translational motion parallel to a fixed axis, is prescribed only to the extent that the power spectral density (PSD) of its acceleration is given; and, as given, its plot on log-log graph paper is a series of straight line segments, each segment having an extremity in common with the adjacent segment. Closed expressions are given for the mean squares of base acceleration, base velocity, and base displacement. The component is restricted to planar motion and allowed two degrees of freedom, one translational and one rotational. Integral expressions are given for the mean squares of component response variables, the transfer functions essential to mean square computation being available via the equations of motion. Closed expressions are given for mean squares of certain of the response variables for the case wherein the base acceleration PSD is constant.

Tuell, L. P.↗

NASA NTRS2004

Investigation of Navier-Stokes Code Verification and Design Optimization

With rapid progress made in employing computational techniques for various complex Navier-Stokes fluid flow problems, design optimization problems traditionally based on empirical formulations and experiments are now being addressed with the aid of computational fluid dynamics (CFD). To be able to carry out an effective CFD-based optimization study, it is essential that the uncertainty and appropriate confidence limits of the CFD solutions be quantified over the chosen design space. The present dissertation investigates the issues related to code verification, surrogate model-based optimization and sensitivity evaluation. For Navier-Stokes (NS) CFD code verification a least square extrapolation (LSE) method is assessed. This method projects numerically computed NS solutions from multiple, coarser base grids onto a freer grid and improves solution accuracy by minimizing the residual of the discretized NS equations over the projected grid. In this dissertation, the finite volume (FV) formulation is focused on. The interplay between the xi concepts and the outcome of LSE, and the effects of solution gradients and singularities, nonlinear physics, and coupling of flow variables on the effectiveness of LSE are investigated. A CFD-based design optimization of a single element liquid rocket injector is conducted with surrogate models developed using response surface methodology (RSM) based on CFD solutions. The computational model consists of the NS equations, finite rate chemistry, and the k-6 turbulence closure. With the aid of these surrogate models, sensitivity and trade-off analyses are carried out for the injector design whose geometry (hydrogen flow angle, hydrogen and oxygen flow areas and oxygen post tip thickness) is optimized to attain desirable goals in performance (combustion length) and life/survivability (the maximum temperatures on the oxidizer post tip and injector face and a combustion chamber wall temperature). A preliminary multi-objective optimization study is carried out using a geometric mean approach. Following this, sensitivity analyses with the aid of variance-based non-parametric approach and partial correlation coefficients are conducted using data available from surrogate models of the objectives and the multi-objective optima to identify the contribution of the design variables to the objective variability and to analyze the variability of the design variables and the objectives. In summary the present dissertation offers insight into an improved coarse to fine grid extrapolation technique for Navier-Stokes computations and also suggests tools for a designer to conduct design optimization study and related sensitivity analyses for a given design problem.

Vaidyanathan, Rajkumar↗

NASA NTRS2016

The Impact of ARM on Climate Modeling

Climate models are among humanity's most ambitious and elaborate creations. They are designed to simulate the interactions of the atmosphere, ocean, land surface, and cryosphere on time scales far beyond the limits of deterministic predictability, and including the effects of time-dependent external forcings. The processes involved include radiative transfer, fluid dynamics, microphysics, and some aspects of geochemistry, biology, and ecology. The models explicitly simulate processes on spatial scales ranging from the circumference of the Earth down to one hundred kilometers or smaller, and implicitly include the effects of processes on even smaller scales down to a micron or so. The atmospheric component of a climate model can be called an atmospheric global circulation model (AGCM). In an AGCM, calculations are done on a three-dimensional grid, which in some of today's climate models consists of several million grid cells. For each grid cell, about a dozen variables are time-stepped as the model integrates forward from its initial conditions. These so-called prognostic variables have special importance because they are the only things that a model remembers from one time step to the next; everything else is recreated on each time step by starting from the prognostic variables and the boundary conditions. The prognostic variables typically include information about the mass of dry air, the temperature, the wind components, water vapor, various condensed-water species, and at least a few chemical species such as ozone. A good way to understand how climate models work is to consider the lengthy and complex process used to develop one. Lets imagine that a new AGCM is to be created, starting from a blank piece of paper. The model may be intended for a particular class of applications, e.g., high-resolution simulations on time scales of a few decades. Before a single line of code is written, the conceptual foundation of the model must be designed through a creative envisioning that starts from the intended application and is based on current understanding of how the atmosphere works and the inventory of mathematical methods available.

atmospheric circulation↗

NASA NTRS2000

A Coupled Plasma-Sheath Model for High Density Sources

High density, low pressure plasmas are used for etching and deposition in microelectronics fabrication processes. The process characteristics are strongly determined by the ion energy distribution (IED) and the ion flux arriving at the substrate that are responsible for desorption of etch products and neutral dissociation at the surface. The ion flux and energy are determined by a self- consistent modeling of the bulk plasma, where the ions and the neutral radicals are produced, and the sheath, where the ions are accelerated. Due to their widely different time scales, it is a formidable task to self-consistently resolve non-collisional sheath in a high density bulk plasma model. In this work, we first describe a coupled plasma-sheath model that attempts to resolve the non-collisional sheath in a reactor scale model. Second, we propose a semianalytical radio frequency (RF) sheath model to improve ion dynamics.

Bose, Deepak↗

NASA NTRS2018

Project Link!: Dynamics and Control of In-Flight Wing Tip Docking

Project Link! is a NASA-led effort to study the feasibility of multi-aircraft aerial docking systems. In these systems, a group of vehicles physically link to each other during flight to form a larger ensemble vehicle with increased aerodynamic performance and mission utility. This paper presents a dynamic model and control architecture for a system of fixed-wing vehicles with this capability. The dynamic model consists of the 6 degree-of-freedom fixed-wing aircraft equations of motion, a spring-damper-magnet system to represent the linkage force between constituent vehicles, and the NASA-Burnham-Hallock wingtip vortex model to represent the close-proximity aerodynamic interactions between constituents before the linking occurs. The control architecture consists of a guidance algorithm to autonomously drive the constituents towards their linking partners and an inner-loop angular rate controller. A simulation was constructed from the model, and the flight dynamic modes of the linked system were compared to the individual vehicles. Simulation results for both before and after linking are presented.

Cooper, John R.↗

NASA NTRS2014

Pulsed Inductive Plasma Acceleration: Performance Optimization Criteria

Optimization criteria for pulsed inductive plasma acceleration are developed using an acceleration model consisting of a set of coupled circuit equations describing the time-varying current in the thruster and a one-dimensional momentum equation. The model is nondimensionalized, resulting in the identification of several scaling parameters that are varied to optimize the performance of the thruster. The analysis reveals the benefits of underdamped current waveforms and leads to a performance optimization criterion that requires the matching of the natural period of the discharge and the acceleration timescale imposed by the inertia of the working gas. In addition, the performance increases when a greater fraction of the propellant is initially located nearer to the inductive acceleration coil. While the dimensionless model uses a constant temperature formulation in calculating performance, the scaling parameters that yield the optimum performance are shown to be relatively invariant if a self-consistent description of energy in the plasma is instead used.

Polzin, Kurt A.↗

DOE OSTI2023

Endothermic self-interacting dark matter in Milky Way-like dark matter haloes

ABSTRACT Self-interacting dark matter (SIDM) offers the potential to mitigate some of the discrepancies between simulated cold dark matter (CDM) and observed galactic properties. We introduce a physically motivated SIDM model to understand the effects of self interactions on the properties of Milky Way and dwarf galaxy sized haloes. This model consists of dark matter with a nearly degenerate excited state, which allows for both elastic and inelastic scattering. In particular, the model includes a significant probability for particles to up-scatter from the ground state to the excited state. We simulate a suite of zoom-in Milky Way-sized N-body haloes with six models with different scattering cross sections to study the effects of up-scattering in SIDM models. We find that the up-scattering reaction greatly increases the central densities of the main halo through the loss of kinetic energy. However, the physical model still results in significant coring due to the presence of elastic scattering and down-scattering. These effects are not as apparent in the subhalo population compared to the main halo, but the number of subhaloes is reduced compared to CDM.

Astronomy & Astrophysics↗

DOE OSTI2022

Review of recent studies on nanoscale electrical junctions and contacts: Quantum tunneling, current crowding, and interface engineering

The study of charge carrier transport at nanoscale electrical contacts is crucial for the development of next-generation electronics. In this study, we review recent modeling efforts on quantum tunneling, current crowding, and contact resistance across electrical interfaces with nanometer scale dimensions. A generalized self-consistent model for quantum tunneling induced electron transport in metal–insulator–metal (MIM) junctions is summarized. Rectification of a dissimilar MIM junction is reviewed. A modified two-dimensional (2D) transmission line model is used to investigate the effects of spatially varying specific contact resistivity along the contact length. The model is applied to various types of electrical contacts, including ohmic contacts, MIM junction based tunneling contacts, and 2D-material-based Schottky contacts. Roughness engineering is recently proposed to offer a possible paradigm for reducing the contact resistance of 2D-material-based electrical contacts. Contact interface engineering, which can mitigate current crowding near electrical contacts by spatially designing the interface layer thickness or properties, without requiring an additional material or component, is briefly reviewed. Tunneling engineering is suggested to eliminate severe current crowding in highly conductive ohmic contacts by introducing a thin tunneling layer or gap between the contact members. Furthermore, unsolved problems and challenges are also discussed.

2D materials↗

DOE OSTI2020

Compare linear-system solver and preconditioner stacks with emphasis on GPU performance and propose phase-2 NGP solver development pathway

The goal of the ExaWind project is to enable predictive simulations of wind farms comprised of many megawatt-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources. The primary physics codes in the ExaWind project are Nalu-Wind, which is an unstructured-grid solver for the acoustically incompressible Navier-Stokes equations, and OpenFAST, which is a whole-turbine simulation code. The Nalu-Wind model consists of the mass-continuity Poisson-type equation for pressure and a momentum equation for the velocity. For such modeling approaches, simulation times are dominated by linear-system setup and solution for the continuity and momentum systems. For the ExaWind challenge problem, the moving meshes greatly affect overall solver costs as reinitialization of matrices and recomputation of preconditioners is required at every time step. In this report we evaluated GPU-performance baselines for the linear solvers in the Trilinos and hypre solver stacks using two representative Nalu-Wind simulations: an atmospheric boundary layer precursor simulation on a structured mesh, and a fixed-wing simulation using unstructured overset meshes. Both strong-scaling and weak-scaling experiments were conducted on the OLCF supercomputer Summit and similar proxy clusters. We focused on the performance of multi-threaded Gauss-Seidel and two-stage Gauss-Seidel that are extensions of classical Gauss-Seidel; of one-reduce GMRES, a communication-reducing variant of the Krylov GMRES; and algebraic multigrid methods that incorporate the afore-mentioned methods. The team has established that AMG methods are capable of solving linear systems arising from the fixed-wing overset meshes on CPU, a critical intermediate result for ExaWind FY20 Q3 and Q4 milestones. For the fixed-wing strong-scaling study (model with 3M grid-points), the team identified that Nalu-Wind simulations with the new Trilinos and hypre solvers scale to modest GPU counts, maintaining above 70% efficiency up to 6 GPUs. However, there still remain significant bottlenecks to performance: matrix assembly (hypre), AMG setup (hypre and Trilinos) In the weak-scaling experiments (going from 0.4M to 211M gridpoints), it's shown that the solver apply phases are faster on GPUs, but that Nalu-Wind simulation times grow, primarily due to the multigrid-setup process. Finally, based on the report outcomes, we propose a linear solver path-forward for the remainder of the ExaWind project. Near term, the NREL team will continue their work on GPU-based linear-system assembly. They will also investigate how the use of alternatives to the NVIDIA UVM (unified virtual memory) paradigm affects performance. Longer term, the NREL team will evaluate algorithmic performance on other types of accelerators and merge their improvements back to the main hypre repository branch. Near term, the Trilinos team will address performance bottlenecks identified in this milestone, such as implementing a GPU-based segregated momentum solve and reusing matrix graphs across linear-system assembly phases. Longer term, the Trilinos team will do detailed analysis and optimization of multigrid setup.

17 WIND ENERGY↗

DOE OSTI2026

Experimental protocol for phase 1 of the APARC QUOCA (QUasibiennial oscillation and Ozone Chemistry interactions in the Atmosphere) working group

The quasi-biennial oscillation (QBO) is the main mode of variability in the tropical stratosphere, influencing the predictability of other regions in the atmosphere through its teleconnections to the stratospheric polar vortices and coupling to surface tropical and extratropical variability. However, climate and forecasting models consistently underestimate QBO amplitudes in the lower stratosphere, likely contributing to their failure to simulate these teleconnections. One underexplored contributor to model biases is missing representation of ozone-radiative feedbacks, which enhance temperature variability in the lower stratosphere, particularly at periods at and greater than the QBO (>28 months). While previous studies suggest that ozone-radiative feedbacks can impact QBO periods, amplitudes and the associated secondary circulation in the lower stratosphere, the reported impacts differ widely among models and are hard to interpret due to differences in methodology. To this end, here we propose a coordinated experimental protocol – held joint between the Atmospheric Processes and their Role in Climate (APARC) Quasi-Biennial Oscillation Initiative (QBOi) and Chemistry Climate Modeling Initiative (CCMI) activities – which is aimed at assessing the coupling between stratospheric ozone, temperature and the circulation. We use the proposed experiments to define the ozone feedback on the QBO in both present-day and idealized (abrupt quadrupling of carbon dioxide) climates. While primary focus is on the QBO, the proposed protocol also enables analysis of other aspects of ozone-radiative-dynamical coupling in the atmosphere, including impacts on the Brewer-Dobson Circulation and tropospheric eddy-driven jet responses to future climate change. Here we document the scientific rationale and design of the QUOCA Phase 1 experiments, summarize the data request, and give a brief overview of participating models. Preliminary results using the NASA Goddard Institute for Space Studies E2-2 climate model are used to illustrate sensitivities to certain methodological choices.

Environmental sciences↗

NASA NTRS1977

Remote moisture-content balance

Automatic balance monitors wetness of wood samples to determine forest fire hazards. Fuel model consists of four wooden dowels that will absorb precipitation moisture and humidity at rate related to moisture absorption by forest wood. Model wetness is determined from weight changes as monitored by electronic balance.

Blomseth, R. A.↗