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At least 1,459 records · Page 81

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NASA NTRS2024

Direct Numerical Simulation of Smooth-Body Flow Separation Around a Ramp

Spanwise-periodic computation of a turbulent flow past a two-dimensional smooth ramp geometry is performed in the form of a direct numerical simulation. The Reynolds number based on the ramp height is about 147,000. A straight section that precedes the smooth ramp allows the incoming turbulent boundary layer to grow under a weak favorable pressure gradient. The boundary layer introduced at the domain inlet has a momentum-thickness based Reynolds number of 2000. The turbulent boundary layer nearing the ramp first interacts with a relatively stronger favorable pressure gradient, followed by a strong adverse pressure gradient. Consequently, the boundary layer experiences a modest acceleration before decelerating and separating. Analysis of the data over this region hints at the formation of an internal layer beneath the accelerated boundary layer. The analysis also reveals that this internal layer forms the origin of the free shear layer that emerges in the deceleration region and separates. The streamwise extent of the separated region is comparable to the ramp length, while the viscous layer thickness near reattachment is about the same as the ramp height; hence, the boundary layer undergoing separation and subsequent reattachment in the present configuration experiences its thickness being amplified by about tenfold. The reattached flow continues to develop further under a diminishing pressure gradient in the recovery region in a similar fashion to a zero pressure gradient turbulent boundary layer.

Turbulence↗

DOE OSTI2020

Adaptive Hybridizable Discontinuous Galerkin discretization of the Grad–Shafranov equation by extension from polygonal subdomains

In this work, we propose a high-order adaptive numerical solver for the semilinear elliptic boundary value problem modeling magnetic plasma equilibrium in axisymmetric confinement devices. In the fixed boundary case, the equation is posed on curved domains with piecewise smooth curved boundaries that may present corners. The solution method we present is based on the hybridizable discontinuous Galerkin method and sidesteps the need for geometry-conforming triangulations thanks to a transfer technique that allows to approximate the solution using only a polygonal subset as computational domain. Moreover, the solver features automatic mesh refinement driven by a residual-based a posteriori error estimator. As the mesh is locally refined, the computational domain is automatically updated in order to always maintain the distance between the actual boundary and the computational boundary of the order of the local mesh diameter. Numerical evidence is presented of the suitability of the estimator as an approximate error measure for physically relevant equilibria with pressure pedestals, internal transport barriers, and current holes on realistic geometries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

A computational modeling framework for pre-clinical evaluation of cardiac mapping systems

There are a variety of difficulties in evaluating clinical cardiac mapping systems, most notably the inability to record the transmembrane potential throughout the entire heart during patient procedures which prevents the comparison to a relevant “gold standard”. Cardiac mapping systems are comprised of hardware and software elements including sophisticated mathematical algorithms, both of which continue to undergo rapid innovation. The purpose of this study is to develop a computational modeling framework to evaluate the performance of cardiac mapping systems. The framework enables rigorous evaluation of a mapping system’s ability to localize and characterize (i.e., focal or reentrant) arrhythmogenic sources in the heart. The main component of our tool is a library of computer simulations of various dynamic patterns throughout the entire heart in which the type and location of the arrhythmogenic sources are known. Our framework allows for performance evaluation for various electrode configurations, heart geometries, arrhythmias, and electrogram noise levels and involves blind comparison of mapping systems against a “silver standard” comprised of computer simulations in which the precise transmembrane potential patterns throughout the heart are known. A feasibility study was performed using simulations of patterns in the human left atria and three hypothetical virtual catheter electrode arrays. Activation times (AcT) and patterns (AcP) were computed for three virtual electrode arrays: two basket arrays with good and poor contact and one high-resolution grid with uniform spacing. The average root mean squared difference of AcTs of electrograms and those of the nearest endocardial action potential was less than 1 ms and therefore appears to be a poor performance metric. In an effort to standardize performance evaluation of mapping systems a novel performance metric is introduced based on the number of AcPs identified correctly and those considered spurious as well as misclassifications of arrhythmia type; spatial and temporal localization accuracy of correctly identified patterns was also quantified. This approach provides a rigorous quantitative analysis of cardiac mapping system performance. Proof of concept of this computational evaluation framework suggests that it could help safeguard that mapping systems perform as expected as well as provide estimates of system accuracy.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1985

Flow dynamic environment data base development for the SSME

The fluid flow-induced vibration of the Space Shuttle main engine (SSME) components are being studied with a view to correlating the frequency characteristics of the pressure fluctuations in a rocket engine to its operating conditions and geometry. An overview of the data base development for SSME test firing results and the interactive computer software used to access, retrieve, and plot or print the results selectively for given thrust levels, engine numbers, etc., is presented. The various statistical methods available in the computer code for data analysis are discussed. Plots of test data, nondimensionalized using parameters such as fluid flow velocities, densities, and pressures, are presented. Results are compared with those available in the literature. Correlations between the resonant peaks observed at higher frequencies in power spectral density plots with pump geometry and operating conditions are discussed. An overview of the status of the investigation is presented and future directions are discussed.

Sundaram, C. V.↗

DOE OSTI2025

Heterogeneous Computing

To leverage the increasing heterogeneity in modern computing resources, Geant4 incorporates advanced software tools and a task-based framework (G4Tasking) that enables efficient parallelism at event, sub-event, and track levels. Ongoing R&D efforts focus on integrating GPUs into high-energy physics (HEP) simulations, including optical photon simulation with Opticks/NVIDIA OptiX, offloading electromagnetic particle transport using G4HepEM/AdePT and Celeritas, and employing advanced surface-based geometry models such as VecGeom2.0 and ORANGE. As Geant4 continues evolving toward high-performance computing (HPC) and heterogeneous architectures, it remains a key tool for large-scale simulations in HEP and beyond.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

VARI3D & PERSENT: Perturbation and Sensitivity Analysis

The nodal diffusion method is one of the most widely used approaches in modern reactor analysis. In the nodal diffusion method, a coarse multi-group set of “homogenized” parameters is constructed such that the complex geometry of a reactor core along with the energy dependence of neutron and gamma ray cross sections in a nuclear reactor are conserved in the simpler geometry. The homogenization is typically done on a fuel assembly level as is the case in the DIF3D code developed at Argonne National Laboratory. The nodal methodology is used primarily to predict fuel cycle behavior of nuclear systems of which there is a substantial amount of validation in the literature. Another use of the nodal method is to obtain reactivity coefficients and kinetics parameters for use in a safety analysis of a given nuclear reactor. While there are many ways to obtain reactivity worth and kinetics parameters, the work presented in this manuscript is unique as it provides the user with the ability to compute reactivity worths, kinetics parameters, and cross section sensitivities with a Cartesian and hexagonal geometry based transport code. This manuscript serves as a single manual for two separate codes: VARI3D and PERSENT. The VARI3D code (VARIational 3D) is based upon the classic finite difference diffusion theory solver available in DIF3D. The PERSENT code (PERturbation and SENitivity for Transport) is based upon the variational nodal method employed in DIF3D termed VARIANT. The VARIANT solver was added to DIF3D in 1995 and has seen continued development and use for the last 18 years. Because VARI3D primarily uses deprecated coding practices, rather than incorporating the perturbation and sensitivity treatments for transport within VARI3D, a new coding development was built using modern Fortran coding. The primary purpose of this manual is to describe the theory behind PERSENT (and by convenience, that of VARI3D) and discuss the input and output of PERSENT along with giving potential users an idea of how to use it. While this manuscript does describe the input and output of VARI3D, the PERSENT code is intended to be the replacement capability of VARI3D as PERSENT can generate nearly identical (if not superior) diffusion theory results. In this manuscript, the relevant aspects of generalized perturbation theory and exact perturbation theory that apply to both VARI3D and PERSENT are covered. The input and output of VARI3D is displayed by excerpting several of the example problems. Similarly, the input and output of PERSENT is displayed along with tips on how best to use the code. Note that the input and output of the inhomogeneous solver wrapped around DIF3D (DIF3D_IFS) is also discussed as it is needed to carry out some of the sensitivities in PERSENT such as reaction rate ratios. This manuscript describes several perturbation and sensitivity problems, and the results computed using PERSENT. From these sections, potential users should find that PERSENT provides not only the typical tables of numbers desired in perturbation and sensitivity analysis work, but also can visually plot the result for a more thorough understanding of the space and energy distribution (Section 5). Overall, PERSENT is observed to produce accurate reactivity worths and sensitivities for the displayed set of test problems and clearly demonstrates the need to have a transport-based sensitivity capability as evident from the thousands of percent errors observed in the 21-group hexagonal fast reactor problem (covered in Section 7). The uncertainty calculation capability is described in Section 3 and demonstrated in Section 7.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2001

Method Improvements in Thermal Analysis of Mach 10 Leading Edges

Several improvements have recently been made in the thermal analysis methods for leading edges of a hypersonic vehicle. The leading edges of this vehicle undergo exceptionally high heat loads that incorporate extreme spatial gradients as well as severe transients. Due to the varying flight conditions, complex geometry, and need for thermal loads at many points along the trajectory, full computational fluid dynamics (CFD) analysis of the aeroheating; loads is not feasible. Thus, engineering methods must be used to determine the aeroheating on the vehicle surfaces, and that must be utilized in the thermal analysis. Over the last year, the thermal analysis of a hypersonic vehicle has been enhanced in several ways. Two different engineering codes are used to predict aeroheating loads: one over the curve near the stagnation point, and the other on flat surfaces downstream of the leading edge. These two are matched together at the intersection point using a method that allows closer approximation of CFD results. User-developed FORTRAN, which is part of the thermal solver PATRAN Thermal, is used to accomplish this. The customizable FORTRAN code also allows use of many different time- and space-dependent factors, interpolation of the heat load in time and space, and inclusion of both highly swept and unswept grid structures. This FORTRAN is available to other PATRAN users who may want to accomplish a similar objective in analysis. Flux, rather than convective coefficient, is used to define heat loads, which allows more accurate analysis as well as better application of margins. Improvements have also been made in more efficient utilization of imported CAD geometry, by creating faces on solids to facilitate load application.

Amundsen, Ruth M.↗

DOE OSTI2024

Development of a Method for Shape Optimization for a Gas Turbine Fuel Injector Design Using Metal-Additive Manufacturing

Adjoint shape optimization has enabled physics-based optimal designs for aerodynamic surfaces. Additive manufacturing (AM) makes it possible to manufacture complex shapes. However, there has been a gap between optimal and manufacturable surfaces due to the inherent limitations of commercial computational fluid dynamics (CFD) codes to implement geometric constraints during adjoint computation. In such cases, the design sensitivities are exported and used to perform constrained shape modifications using parametric information stored in computer aided design (CAD) files to satisfy manufacturability constraints. However, modifying the design using adjoint methods in CFD solvers and performing constrained shape modification in CAD can lead to inconsistencies due to different shape parameterization schemes. This paper describes a method to enable the simultaneous optimization of the fluid domain and impose AM manufacturability constraints, resolving one of the key issues of geometry definition for isogeometric analysis. Similar to a grid convergence study, the proposed method verifies the consistencies between shape parameterization techniques present within commercial CAD and CFD software during mesh movement as a part of the adjoint shape optimization routine. By identifying the appropriate parameters essential to a shape optimization study, the error metric between the different parameterization techniques converges to demonstrate sufficient consistencies for justifiable exchange of data between CAD and CFD. For the identified shape optimization parameters, the error metric to measure the deviation between the two parameterization schemes lies within the AM laser-powder bed fusion (L-PBF) process tolerance. Additionally, comparison for subsequent objective function calculations between iterations of the optimization loop showed acceptable differences within 1% variation between the modified geometries obtained using the two parameterization schemes. This method provides justification for the use of multiphysics guided adjoint design sensitivities computed in CFD software to perform shape modifications in CAD to incorporate AM manufacturability constraints during the shape optimization loop such that optimal designs are also additively manufacturable.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

FAIR Data and Interpretable AI Framework for Architectured Metamaterials

Our interdisciplinary effort successfully generated FAIR (Findable, Accessible, Interoperable, and Reusable) benchmark datasets for mechanical metamaterials while introducing a novel Artificial Intelligence (AI) framework known as Learning Refined Compositional Rules (LRCR). This framework was specifically designed to bridge the gap across varying computational length scales and extract the underlying physical mechanisms that connect a material's structural geometry to its bulk acoustic properties. Historically, the discovery of such structured materials relied heavily on human intuition or opaque, black-box optimization algorithms that were difficult to generalize. By combining interpretable machine learning techniques with rigorous experimental validation, this project established clear, generalizable design guidelines for tuning wave dispersion and controlling vibrations. Ultimately, the public availability of these structured datasets and algorithms will significantly reduce computational costs and accelerate the design of advanced multi-functional acoustic devices, offering broad societal impacts across fields like aerospace engineering, telecommunications, and biomedical implant design.

36 MATERIALS SCIENCE↗

NASA NTRS1992

A molecular dynamics study of freezing in a confined geometry

The dynamics of freezing of a Lennard-Jones liquid in narrow channels bounded by molecular walls is studied by computer simulation. The time development of ordering is quantified and a novel freezing mechanism is observed. The liquid forms layers and subsequent in-plane ordering within a layer is accompanied by a sharpening of the layer in the transverse direction. The effects of channel size, the methods of quench, the liquid-wall interaction and the roughness of walls on the freezing mechanism are elucidated. Comparison with recent experiments on freezing in confined geometries is presented.

Ma, Wen-Jong↗

DOE OSTI2026

FOILPOLARS (Grassmannian Foil Shape Sweeps for Polar Generation) [SWR-26-095]

FOILPOLARS (Grassmannian Foil Shape Sweeps for Polar Generation): Multifidelity aerodynamic polar data generation for hydrofoil/tidal-turbine airfoil sections. Foilpolars ties together three pieces: *AeroSandbox supplies the baseline airfoil coordinates (UIUC database). *G2Aero parameterizes those shapes on a Grassmannian manifold (Karcher mean + PGA basis) and samples new perturbed shapes around that basis. *XFoil (panel method) and NeuralFoil (neural-network surrogate, shipped with AeroSandbox) each solve the resulting shapes for lift, drag, moment, and pressure at the swept angles of attack, Reynolds numbers, and n_crit values. Design optimization of foil shapes in a computationally efficient way requires polars data across many candidate shapes, not just a handful of baseline foils. However, high-fidelity CFD at that scale is too costly, and naive shape perturbation strays from realistic geometries. FOILPOLARS addresses this by loading baseline airfoils (via AeroSandbox) and mapping them onto a Grassmannian manifold (via G2Aero), computing a Karcher mean and principal geodesic analysis (PGA) basis. New shapes are sampled by perturbing PGA coefficients, keeping them close to the manifold of realistic foils. Each sampled shape is evaluated across a configurable sweep of angle of attack, Reynolds number, and critical amplification factor using two solvers: XFoil (panel method) and NeuralFoil (neural-network surrogate), producing a paired dataset of lift, drag, moment, pressure, convergence, and confidence, indexed alongside each shape's PGA coefficients and shared Grassmannian basis in a single xarray dataset. From this, FOILPOLARS produces convergence summaries and comparison plots per shape, Reynolds number, and n_crit. A command-line interface exposes each pipeline stage independently, supporting data-driven design, optimization, and machine-learning workflows for foils.

Sandhu, Rimple [National Laboratory of the Rockies↗

NASA NTRS2019

Photoionization Calculations of the Radiation Force Due To Spectral Lines in AGNs

One of the main mechanisms that could drive mass outflows in active galactic nuclei (AGNs) is radiation pressure due to spectral lines. Although straightforward to understand, the actual magnitude of the radiation force is challenging to compute because the force depends on the physical conditions in the gas, as well as the strength, spectral energy distribution (SED), and geometry of the radiation field. We present results from our photoionization and radiation transfer calculations of the force multiplier, M(ξ, t), using the same radiation field to compute the gas photoionization and thermal balance. We assume low gas density (n = 104 per cu.cm) and column density (N ≤ 1017 per sq.cm), a Boltzmann distribution for the level populations, and the Sobolev approximation. Here, we describe results for two SEDs corresponding to an unobscured and obscured AGN in NGC 5548. Our main results are the following: (1) although M(ξ, t) starts to decrease with ξ for ξ gsim 1 as shown by others, this decrease in our calculations is relatively gradual and could be nonmonotonic as M(ξ, t) can increase by a factor of a few for ξ ≈ 10–1000; (2) at these same ξ for which the multiplier is higher than in previous calculations, the gas is thermally unstable by the isobaric criterion; (3) non-local thermodynamic equilibrium effects reduce M(t, ξ) by over two orders of magnitude for ξ gsim 100. The dynamical consequence of result (1) is that line driving can be important for ξ as high as 1000 when the LTE approximation holds, while result (2) provides a natural cloud formation mechanism that may account for the existence of narrow line regions. Result (3) suggests that line driving may not be important for ξ gsim 100 in tenuous plasma.

Dannen, Randall C.↗

DOE OSTI2022

Model-Based Reconstruction for Collimated Beam Ultrasound Systems

Collimated beam ultrasound systems are a novel technology for imaging inside multi-layered structures such as geothermal wells. Such systems include a transmitter and multiple receivers to capture reflected signals. Common algorithms for ultrasound reconstruction use delay-and-sum (DAS) approaches; these have low computational complexity but produce inaccurate images in the presence of complex structures and specialized geometries such as collimated beams.In this paper, we propose a multi-layer, ultrasonic, model-based iterative reconstruction algorithm designed for collimated beam systems. We introduce a physics-based forward model to accurately ac-count for the propagation of a collimated ultrasonic beam in multi-layer media and describe an efficient implementation using binary search. We model direct arrival signals, detector noise, and a spatially varying image prior, then cast the reconstruction as a maximum a posteriori estimation problem. Using simulated and experimental data we obtain significantly fewer artifacts relative to DAS while running in near real time using commodity compute resources.

Alanazi, Abdulrahman M.↗

DOE OSTI2020

VARI3D & PERSENT: Perturbation and Sensitivity Analysis

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

VARI3D & PERSENT: Perturbation and Sensitivity Analysis

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1990

Numerical simulation of fluid flow and heat transfer in a thin liquid film over a stationary and rotating disk and comparison with experimental data

In the first section, improvements in the theoretical model and computational procedure for the prediction of film height and heat-transfer coefficient of the free surface flow of a radially-spreading thin liquid film adjacent to a flat horizontal surface of finite extent are presented. Flows in the presence and absence of gravity are considered. Theoretical results are compared to available experimental data with good agreement. In the presence of gravity, a hydraulic jump is present, isolating the flow into two regimes: supercritical upstream from the jump and subcritical downstream of it. In this situation, the effects of surface tension are important near the outer edge of the disk where the fluid experiences a free fall. A region of flow separation is present just downstream of the jump. In the absence of gravity, no hydraulic jump or separated flow region is present. The variation of the heat-transfer coefficient for flows in the presence and absence of gravity are also presented. In the second section, the results of a numerical simulation of the flow field and associated heat transfer coefficients are presented for the free surface flow of a thin liquid film adjacent to a horizontal rotating disk. The computation was performed for different flow rates and rotational velocities using a 3-D boundary-fitted coordinate system. Since the geometry of the free surface is unknown and dependent on flow rate, rate of rotation, and other parameters, an iterative procedure had to be used to ascertain its location. The computed film height agreed well with existing experimental measurements. The flow is found to be dominated by inertia near the entrance and close to the free surface and dominated by centrifugal force at larger radii and adjacent to the disk. The rotation enhances the heat transfer coefficient by a significant amount.

Faghri, Amir↗

NASA NTRS1988

The numerical simulation of transonic separated flow about the complete F-16A

The thin-layer, Reynolds-averaged, Navier-Stokes equations are used to simulate the transonic viscous flow about the complete F-16A fighter aircraft. These computations demonstrate how computational fluid dynamics (CFD) can be used to simulate turbulent viscous flow about realistic aircraft geometries. A zonal grid approach is used to provide adequate viscous grid clustering on all aircraft surfaces. Zonal grids extend inside the F-16A inlet and up to the compressor face while power on conditions are modeled by employing a zonal grid extending from the exhaust nozzle to the far field. A simple solution adaptive grid procedure is used on the wing surface and good agreement with experimental data is obtained. Computations for the F-16A in side slip are also presented.

Flores, Jolen↗

DOE OSTI2021

Solar Field Layout and Aimpoint Strategy Optimization

The existing methods that determine heliostat aiming strategies for concentrating solar power (CSP) central receiver plants typically use heuristics and/or are computationally expensive, and they lack flexibility for different desired flux profiles and receiver geometries. Because of the interaction between layout and aimpoint strategy, considering the former without accounting for the latter may yield solutions with superfluous heliostats that cannot be used efficiently without compromising receiver flux constraints. To that end, we develop a software decision tool that uses innovative optimization methods to both optimize aimpoint strategies and improve candidate layouts for the solar collection field of a CSP central receiver plant. A CSP plant’s effectiveness relies on the optical efficiency of the solar field, which may be limited by losses due to (i) the cosine effect, (ii) atmospheric attenuation, (iii) interference (i.e., shading and blocking) between heliostats, (iv) spillage as a result of heliostat positioning and geometry, and (iv) some heliostats’ inability to direct irradiance to the receiver without damage due to excessive thermal flux. The goal of this work is to obtain optimized aiming strategies and improved solar field layouts that reduce capital cost and increase field optical efficiency and utilization, while meeting the power requirements of a given CSP receiver design. We formulate the aimpoint optimization problem as a mixed-integer linear programming model, which we then decompose into submodels that we solve in parallel. The decomposition subdivides the solar field into sections, and aimpoint strategies for each section are obtained independently of the others. To improve existing layouts, we develop a utilization-weighted efficiency metric that we use to relocate heliostats to sections of the solar field with similar efficiency and higher utilization. Finally, to connect our software to high-fidelity flux models, we develop a Python application programming interface for SolarPILOT, a mature software package that characterizes solar field performance and generates the heliostat layouts and flux maps that serve as input to our models.

14 SOLAR ENERGY↗