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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 595 records · Page 33

The discrete Green's function paradigm for two-way coupled Euler-Lagrange simulation

We outline a methodology for the simulation of particle-laden flows whereby the dispersed and fluid phases are two-way coupled. The drag force which couples fluid and particle momentum depends on the undisturbed fluid velocity at the particle location, and this latter quantity requires modelling. We demonstrate that the undisturbed fluid velocity, in the low particle Reynolds number limit, can be related exactly to the discrete Green's function of the discrete Stokes equations. The method is general in that it can be extended to other partial differential equations which may be associated with particle-laden flows, such as the thermal energy equation or Maxwell's equations. In this work, we demonstrate the method of discrete Green's functions by obtaining these functions for the Navier-Stokes equations at low particle Reynolds number in a two-plane channel geometry. We perform verification at low and finite particle Reynolds number for the case of a point-particle settling under gravity parallel to a plane wall, for different wall normal separations. In comparing to other point-particle schemes the discrete Green's function approach is the most robust at low particle Reynolds number, accurate at all wall-normal separations and is the most accurate in the near wall region at finite Reynolds number. We discuss how the accuracy away from the wall at finite Reynolds number could be improved by appealing to Oseen-like discrete Green's functions. Finally we demonstrate that the discrete Green's function approach can have important implications on statistics of particle-laden turbulent channel flow.

42 ENGINEERING↗

Design considerations of highly efficient D-shaped plasmonic biosensor

Design considerations of photonic crystal fiber (PCF) surface plasmon biosensor with high sensitivity to monitor glucose concentration is reported and studied. Based on a well-known large mode area (LMA) single mode PCF, two different configurations have been studied to investigate the impact of the etching process on the biosensor sensitivity. Furthermore, the possibility of infiltrating one hole by a plasmonic material to increases the biosensor sensitivity is studied. A full vectorial finite element method (FVFEM) is used to carry out the analysis of the reported biosensor. In addition, the geometrical parameters of the suggested biosensors have been optimized to obtain the highest sensitivity. The suggested biosensor based on a D-shaped PCF with plasmonic rod achieves sensitivity as high as 13,600 nm/RIU with corresponding resolution of 7.35×10{sup −6} RIU.The analysis also reveals that the proposed biosensor has a linear performance which is needed practically. Therefore, the reported biosensor has advantages in terms of fabrication feasibility and high linear sensitivity.

36 MATERIALS SCIENCE↗

A fourth order sharp immersed method for the incompressible Navier-Stokes equations with stationary and moving boundaries and interfaces

We propose a fourth order Navier-Stokes solver based on the immersed interface method (IIM), for flow problems with stationary and one-way coupled moving boundaries and interfaces. Our algorithm employs a Runge-Kutta-based projection method that maintains high-order temporal accuracy in both velocity and pressure for steady and unsteady velocity boundary conditions. Fourth order spatial accuracy is achieved through a novel fifth order IIM discretization scheme for the advection term, as well as existing high-order interface-corrected finite difference schemes for the other differential operators. Using a set of manufactured flow problems with stationary and moving boundaries, we demonstrate fourth order convergence of velocity and pressure in the infinity norm, both inside the domain and on the immersed boundaries. The solver’s performance is further validated through a range of practical flow simulations, highlighting its efficiency over a second order scheme. Finally, we showcase the ability of our immersed discretization scheme to handle interface-coupled multiphysics problems by solving a conjugate heat transfer problem with multiple immersed solids. Overall, the proposed approach robustly combines the efficiency of high order discretization schemes with the flexibility of immersed discretizations for flow problems with complex, moving boundaries and interfaces.

42 ENGINEERING↗

Adaptively remeshed multiphysical modeling of resistance forge welding with experimental validation of residual stress fields and measurement processes

Welding processes used in the production of pressure vessels impart residual stresses in the manufactured component. Computational modeling is critical to predicting these residual stress fields and understanding how they interact with notches and flaws to impact pressure vessel durability. Here, in this work, we present a finite element model for a resistance forge weld and validate it using laboratory measurements. Extensive microstructural changes, near-melt temperatures, and large localized deformations along the weld interface pose significant challenges to Lagrangian finite element modeling. The proposed modeling approach overcomes these roadblocks in order to provide a high-fidelity simulation that can predict the residual stress state in the manufactured pressure vessel; a rich microstructural constitutive model accounts for material recrystallization dynamics, a frictional-to-tied contact model is coordinated with the constitutive model to represent interfacial bonding, and adaptive remeshing is employed to alleviate severe mesh distortion. An interrupted-weld approach is applied to the simulation to facilitate comparison to displacement measures. Several techniques are employed for residual stress measurement in order to validate the finite element model: neutron diffraction, the contour method, and the slitting method. Model-measurement comparisons are supplemented with detailed simulations that reflect the configurations of the residual-stress measurement processes themselves. The model results show general agreement with experimental measurements, and we observe some similarities in the features around the weld region. Factors that contribute to model-measurement differences are identified. Finally, we conclude with some discussion of the model development and residual stress measurement strategies, including how to best leverage the efforts put forth here for other weld problems.

36 MATERIALS SCIENCE↗

Analysis of the SBP-SAT Stabilization for Finite Element Methods Part I: Linear Problems

In the hyperbolic community, discontinuous Galerkin (DG) approaches are mainly applied when finite element methods are considered. As the name suggested, the DG framework allows a discontinuity at the element interfaces, which seems for many researchers a favorable property in case of hyperbolic balance laws. On the contrary, continuous Galerkin methods appear to be unsuitable for hyperbolic problems and there exists still the perception that continuous Galerkin methods are notoriously unstable. To remedy this issue, stabilization terms are usually added and various formulations can be found in the literature. However, this perception is not true and the stabilization terms are unnecessary, in general. In this paper, we deal with this problem, but present a different approach. We use the boundary conditions to stabilize the scheme following a procedure that are frequently used in the finite difference community. Here, the main idea is to impose the boundary conditions weakly and specific boundary operators are constructed such that they guarantee stability. This approach has already been used in the discontinuous Galerkin framework, but here we apply it with a continuous Galerkin scheme. No internal dissipation is needed even if unstructured grids are used. Further, we point out that we do not need exact integration, it suffices if the quadrature rule and the norm in the differential operator are the same, such that the summation-by-parts property is fulfilled meaning that a discrete Gauss Theorem is valid. This contradicts the perception in the hyperbolic community that stability issues for pure Galerkin scheme exist. In numerical simulations, we verify our theoretical analysis.

97 MATHEMATICS AND COMPUTING↗

A sharp interface model for deterministic simulation of dendrite growth

A high order level set model is developed for deterministic simulation of dendritic growth in unstable solidifying systems. The model captures motion of the front implicitly on a structured finite difference grid, enables calculation of its geometric properties and also applies boundary conditions on the immersed interface. Interfacial capillary effect is incorporated in the model through the Gibbs-Thomson condition. Canonical problems for evaluating grid convergence of the numerical method and validation tests for stability of a growing nucleus in the presence of isotropic surface tension are presented. The growth morphology of solidifying nuclei in undercooled metallic melts is quantitatively analyzed. Effects of crystal anisotropy and melt undercooling on the front geometry, propagation speed and formation of branched dendritic structures are examined. In conclusion, the complex morphological changes, such as remelting of secondary perturbations under specific conditions of undercooling, are also captured during the quantitative analysis.

36 MATERIALS SCIENCE↗

The 3D printing and modeling of functionally graded Kelvin foams for controlling crushing performance

Mechanical impact protection is an important consideration in many applications, ranging from product transportation to sports. Cellular materials are typically used due to their desirable energy absorption properties and light weight. However, their large deformation and rate dependent responses (especially of polymer foams) are challenging to consider in design. Additionally, the use of foams with uniform properties, such as uniform density and uniform stiffness, often restricts the designed foams to only be suitable for a narrow range of mechanical impact conditions whereas real applications commonly face unpredictable situations. 3D printing offers fabrication flexibility and thus opens the door to create foams with tailored properties. In this work, we investigate the feasibility of using 3D printing for functionally graded foams (FGFs) that are optimal over a broad range of mechanical environments. The foams are fabricated by the recently developed grayscale digital light processing (g-DLP) method which can print parts with locally designed properties. These foams are tested under drop test conditions and with slower displacement control. We also model the large deformation behavior of FGFs using finite element analysis in which we account for the different viscoelastic behaviors of the distinct grayscale regions. We then use the model to examine the impact mitigation capabilities of FGFs in different loading scenarios. Finally, we show how FGFs can be used to satisfy real-world design goals using the case study of a motorcycle helmet. In contrast to prior work, we investigate continuous, functionally graded foams of a single density that differ in their viscoelastic responses. This work provides further insight into the benefits of viscoelastic properties and modulus graded foams and presents a manufacturing approach that can be used to produce the next generation of flexible lattice foams as mechanical absorbers.

3D printing↗

An Initial Assessment of the Design Margins of Different ASME Section III, Division 5 Design Rules

This report develops a method for assessing the design margin of the ASME Section III, Division 5 Class A design rules, focusing on a definition of margin as the ratio between the actual, expected component life and the ASME design life. Full inelastic finite element simulations with a complete damage model capturing the available creep, creep-fatigue, fatigue, and tension test failure data produce the expected component lives, which can then be compared to corresponding ASME design calculations. The focus of this particular work is on Alloy 617 and the ASME creep-fatigue design rules, but the approach is general and could be applied to other design limits and to other materials. A margin assessment of a representative Alloy 617 component shows the ASME creep-fatigue design rules applied to this component have a margin of 10 on design life. The report describes several challenges in completing a more comprehensive margin assessment of the ASME rules, in particular challenges in developing probabilistic assessment methods for high temperature structural components. The report details these challenge and discusses the immediate possibilities of the deterministic margin assessment method developed here.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Understanding the deformation mechanisms in Ni-based superalloys with using crystal plasticity finite element method

Nl-based superalloy is considered as a good candidate due to its excellent resistance to elevated temperature deformation for long term period application. Understanding the deformation and failure mechanisms of Ni-Based superalloys is very helpful for providing design guidelines for processing Ni-based superalloys. Experimental characterization indicates that the deformation mechanisms of Ni based superalloy is strongly microstructure dependent. Besides, damage transform from the void nucleation to the macro cracks by voids growth leading to the failure of the Ni-based superalloys are also showing strong microstructure sensitivity. Therefore, this work focuses on the prediction and comprehension of the deformation and void growth behavior in Ni based superalloy at different working conditions via crystal plasticity finite element modeling and simulation. Physically based crystal plasticity frameworks were developed for newly Ni- based superalloy Haynes 282. It was found that dislocation shearing through the precipitates were acting as the main contributor to the strength of Haynes 282 at room temperature and 815°C. Our analysis of the creeping behavior of Haynes 282 exhibited that resistance of general climb replaced by the resistance induced by the deposited climb dislocation density. In addition, in the study of void growth behavior, our simulation results demonstrated that as the main loading axis perpendicular to the grain boundary (GB), voids grow more slowly on tilt GBs in bicrystals than those in single and bicrystals with twist GBs. And tilt GBs would promote the void grow into irregular shape.

36 MATERIALS SCIENCE↗

Stencil computations for PDE-based applications with examples from DUNE and hypre

Here, stencils are commonly used to implement efficient on–the–fly computations of linear operators arising from partial differential equations. At the same time the term “stencil” is not fully defined and can be interpreted differently depending on the application domain and the background of the software developers. Common features in stencil codes are the preservation of the structure given by the discretization of the partial differential equation and the benefit of minimal data storage. We discuss stencil concepts of different complexity, show how they are used in modern software packages like hypre and DUNE, and discuss recent efforts to extend the software to enable stencil computations of more complex problems and methods such as inf–sup–stable Stokes discretizations and mixed finite element discretizations.

97 MATHEMATICS AND COMPUTING↗

Symmetry-enriched quantum spin liquids in (3 + 1)d

We use the intrinsic one-form and two-form global symmetries of (3+1)d bosonic field theories to classify quantum phases enriched by ordinary (0-form) global symmetry. Different symmetry-enriched phases correspond to different ways of coupling the theory to the background gauge field of the ordinary symmetry. The input of the classification is the higher-form symmetries and a permutation action of the 0-form symmetry on the lines and surfaces of the theory. From these data we classify the couplings to the background gauge field by the 0-form symmetry defects constructed from the higher-form symmetry defects. For trivial two-form symmetry the classification coincides with the classification for symmetry fractionalizations in (2 + 1)d. We also provide a systematic method to obtain the symmetry protected topological phases that can be absorbed by the coupling, and we give the relative ’t Hooft anomaly for different couplings. We discuss several examples including the gapless pure U(1) gauge theory and the gapped Abelian finite group gauge theory. As an application, we discover a tension with a conjectured duality in (3 + 1)d for SU(2) gauge theory with two adjoint Weyl fermions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Tailoring diamond’s optical properties via direct femtosecond laser nanostructuring

We demonstrate a rapid, accurate, and convenient method for tailoring the optical properties of diamond surfaces by employing laser induced periodic surface structuring (LIPSSs). The characteristics of the fabricated photonic surfaces were adjusted by tuning the laser wavelength, number of impinging pulses, angle of incidence and polarization state. Using Finite Difference Time Domain (FDTD) modeling, the optical transmissivity and bandwidth was calculated for each fabricated LIPSSs morphology. The highest transmission of ~99.5% was obtained in the near-IR for LIPSSs structures with aspect ratios of the order of ~0.65. The present technique enabled us to identify the main laser parameters involved in the machining process, and to control it with a high degree of accuracy in terms of structure periodicity, morphology and aspect ratio. We also demonstrate and study the conditions for fabricating spatially coherent nanostructures over large areas maintaining a high degree of nanostructure repeatability and optical performance. While our experimental demonstrations have been mainly focused on diamond anti-reflection coatings and gratings, the technique can be easily extended to other materials and applications, such as integrated photonic devices, high power diamond optics, or the construction of photonic surfaces with tailored characteristics in general.

36 MATERIALS SCIENCE↗

Analysis of higher harmonics on bidirectional heat pulse propagation experiment in helical and tokamak plasmas

In this contribution we analyze modulation electron cyclotron resonance heating (MECH) experiment and discuss higher harmonic frequency dependence of transport coefficients. We use the bidirectional heat pulse propagation method, in which both inward propagating heat pulse and outward propagating heat pulse are analyzed at a radial range, in order to distinguish frequency dependence of transport coefficients due to hysteresis from that due to other reasons, such as radially dependent transport coefficients, a finite damping term, or boundary effects. The method is applied to MECH experiments performed in various helical and tokamak devices, i.e. Large Helical Device (LHD), TJ-II, Korea Superconducting Tokamak Advanced Research (KSTAR), and Doublet III-D (DIII-D) with different plasma conditions. Here, the frequency dependence of transport coefficients are clearly observed, showing a possibility of existence of transport hysteresis in flux-gradient relation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Determining Exact RANS Operators with the Macroscopic Forcing Method (Final Report)

This report contains a compilation of key results and findings from the ACT project “Determining Exact RANS Operators with the Macroscopic Forcing Method.” The Macroscopic Forcing Method (MFM), a numerical tool for determining closure operators, is used to measure eddy diffusivity moments in Rayleigh-Taylor (RT) instability. It is first applied to low-Atwood 2D RT instability; that work is then extended to 3D RT at different finite Atwood numbers. It is found that nonlocality is important for modeling the mean scalar transport closure operator in RT mixing. Additionally, work is done to improve the statistical convergence of MFM for chaotic problems like RT mixing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Airfoil Computational Fluid Dynamics - 2k shapes, 25 AoA's, 3 Re numbers

This dataset contains aerodynamic quantities - including flow field values (momentum, energy, and vorticity) and summary values (coefficients of lift, drag, and momentum) - for 1,830 airfoil shapes computed using the HAM2D CFD (computational fluid dynamics) model. The airfoil shapes were designed using the separable shape tensor parameterization that encodes two-dimensional shapes as elements of the Grassmann manifold. This data-driven approach learns two independent spaces of parameter from a collection of sample airfoils. The first captures large-scale, linear perturbations, and the second defines small-scale, higher-order perturbations. For this dataset, we used the G2Aero database of over 19,000 airfoil shapes to learn a parameter space that captured a wide array of shape characteristics. We sampled airfoil designs over both parameter spaces to explore the full range of possible shape variations. The aerodynamic quantities for the generated airfoil were obtained using the HAM2D code, which is a finite-volume Reynolds-averaged Navier-Stokes (RANS) flow solver. We employ a fifth-order WENO scheme for spatial reconstruction with Roe's flux difference scheme for inviscid flux and second-order central differencing for viscous flux. A preconditioned GMRES method is applied for implicit integration. The Spalart-Allmaras 1-eq turbulence model is used for the turbulence closure, and the Medida-Baeder 2-eq transition model is applied to account for the effects of laminar turbulent transition. The airfoil grid is generated with a total of 400 points on the airfoil surface, the initial wall-normal spacing of y+ = 1, and an outer boundary located at 300 chord lengths away from the wall. The CFD simulations are performed at a freestream Mach number of 0.1, for or three different Reynolds' numbers (3M, 6M, and 9M), and for 25 angles of attack from -4 deg. to 20 deg. with 1 degree increments. Across all these various parameters, this dataset includes the results from over 250,000 CFD simulations. The simulations were performed using the Bridges-2 system at the Pittsburgh Supercomputing Center in February 2023 as part of the INTEGRATE project funded by the Advanced Research Projects Agency - Energy, in the U.S. Department of Energy. The data was collected, reformatted, and preprocessed for this OEDI submission in July 2023 under the Foundational AI for Wind Energy project funded by the U.S. Department of Energy Wind Energy Technologies Office. This dataset is intended to serve as a benchmark against which new artificial intelligence (AI) or machine learning (ML) tools may be tested. Baseline AI/ML methods for analyzing this dataset have been implemented, and a link to their repository containing those models has been provided. The .h5 data file structure can be found in the GitHub Repository resource under explore_airfoil_2k_data.ipynb.

2k↗

Airfoil Computational Fluid Dynamics - 9k shapes, 2 AoA's

This dataset contains aerodynamic quantities - including flow field values (momentum, energy, and vorticity) and summary values (coefficients of lift, drag, and momentum) - for 8,996 airfoil shapes, computed using the HAM2D CFD (computational fluid dynamics) model. The airfoil shapes were designed using the separable shape tensor parameterization that encodes two-dimensional shapes as elements of the Grassmann manifold. This data-driven approach learns two independent spaces of parameter from a collection of sample airfoils. The first captures large-scale, linear perturbations, and the second defines small-scale, higher-order perturbations. For this data, we used the G2Aero database of over 19,000 airfoil shapes to learn a parameter space that captured a wide array of shape characteristics. We fixed the linear deformations to be the mean over the database and sampled new shapes over a four-dimensional parameter space of higher-order perturbation. This sampling approaches allows for isolated analysis of non-linear airfoil shape deformations while holding other aspects (e.g., airfoil thickness) approximately constant. The aerodynamic quantities for the generated airfoil were obtained using the HAM2D code, which is a finite-volume Reynolds-averaged Navier-Stokes (RANS) flow solver. We employ a fifth-order WENO scheme for spatial reconstruction with Roe's flux difference scheme for inviscid flux and second-order central differencing for viscous flux. A preconditioned GMRES method is applied for implicit integration. The Spalart-Allmaras 1-eq turbulence model is used for the turbulence closure, and the Medida-Baeder 2-eq transition model is applied to account for the effects of laminar turbulent transition. The airfoil grid is generated with a total of 400 points on the airfoil surface, the initial wall-normal spacing of y+ = 1, and an outer boundary located at 300 chord lengths away from the wall. The CFD simulations are performed at a freestream Mach number of 0.1, Reynolds number of 9M, and at two angles of attack, 4 deg. and 12 deg. The simulations were performed using the Bridges-2 system at the Pittsburgh Supercomputing Center in February 2023 as part of the INTEGRATE project funded by the Advanced Research Projects Agency - Energy in the U.S. Department of Energy. The data was collected, reformatted, and preprocessed for this OEDI submission in July 2023 under the Foundational AI for Wind Energy project funded by the U.S. Department of Energy Wind Energy Technologies Office. This dataset is intended to serve as a benchmark against which new artificial intelligence (AI) or machine learning (ML) tools may be tested. Baseline AI/ML methods for analyzing this dataset have been implemented, and a link to their repository containing those models has been provided. The .h5 data file structure can be found in the GitHub Repository resource under explore_airfoil_9k_data.ipynb.

9k↗

Establishing Outcrop Time Series at Various Depths in a Nonlinear Soil Column: An Iterative Approach

Seismic soil-structure interaction (SSI) analysis of nuclear facilities is an important consideration during design and retrofit. SSI tools used in the nuclear industry are currently based on an equivalent linear approach. Procedures for developing input ground motion for equivalent linear approaches are well established. However, the procedures for establishing input ground motion for Nonlinear Soil-Structure Interaction (NLSSI) analysis of nuclear facilities is not well established. A collaborative research group at Idaho National Laboratory (INL) has recently developed analytical methods and numerical tools for using NLSSI analysis for nuclear facility seismic calculations. NLSSI analysis for a nuclear facility allows for calculation of seismic wave motion through a near field soil domain using either, (1) vertically propagating shear and compressive waves, which is the current industry practice, or (2) a three-dimensional non-vertical wave field. This paper presents an iterative procedure for establishing outcrop motion at a depth in the soil column for NLSSI analysis that uses vertically propagating shear waves. The approach presented in this paper starts with a known ground motion at the surface, deconvolves to a depth, and then convolves the obtained motion up to a different desired location of input for the NLSSI model. To demonstrate the validity of the approach a finite element soil column, that is representative of a nuclear facility site in the US, is used to produce compatible outcrop seismic time series for reduced nonlinear soil mesh depths. The developed approach for reducing the nonlinear soil column model depth is a two-step iterative method; 1) the first step is establishing an outcrop time series at the lowest depth considered that produces the top-of-soil response spectrum of an actual recorded ground motion, and 2) the second step is providing compatible outcrop time series at a shallower depth based on the information from the first step. The comparison of the 5% damped response spectrum from the resulting acceleration time series based on the iterated outcrop motions and the original acceleration time series are conducted. The study showed that the proposed iterative approach produced comparable results within 1% range of the original recorded time series results when sufficient iterations were performed.

58 GEOSCIENCES↗

Elastic Modulus Estimation for Copper Syntactic Foams Reinforced with Iron Hollow Spheres of Different Wall Thicknesses

The present study estimates the effect on Young’s modulus of the percentage and thickness of iron hollow spheres reinforcing copper syntactic foams. The resulting materials were modeled by inserting hollow spheres in a random arrangement, using a combination of Discrete Element Method (DEM) for generating the sphere location coordinates and Finite Element Analysis (FEA). Estimations for syntactic foams were compared to those obtained for conventional copper foams with the same porosity. Results showed that the elastic modulus of both syntactic and conventional foams drops significantly as the percentage of spheres or porosity increases. Furthermore, the increase in the wall thickness of the iron hollow spheres leads to significant rises in the Young’s modulus. Depending on the desired mechanical properties, the outcomes presented in this work could be used for selecting the kind of foam (syntactic or conventional) and predesign some characteristics such as porosity or thickness of the spheres or pores.

36 MATERIALS SCIENCE↗