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At least 775 records · Page 43

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DOE OSTI2024

Stress field and interaction forces between dislocations and precipitate distributions

A computational method is developed for calculation of the stress field and interaction forces between dislocations and precipitates of arbitrary shape and distribution. The internal stress generated by precipitates due to coherency strain is implemented within the discrete dislocation dynamics (DDD) framework. The s-version finite element method (s-FEM), which models a precipitate of arbitrary shape using a local mesh is used to calculate coherency stress fields. The method facilitates meshing precipitate volumes of arbitrary geometry, and multiple local meshes can be superimposed at various positions of the global mesh. Accuracy and convergence conditions of the method are established. For a single precipiate, the method is shown to be 3.5 times faster than a standard FEM calculation for the same accuracy, and the gain in speed increases with the number of precipitates. The CRSS of spherical precipitates is found to be higher than disk-shaped precipitates of the same volume fraction.

42 ENGINEERING↗

NASA NTRS2008

A New Concurrent Multiscale Methodology for Coupling Molecular Dynamics and Finite Element Analyses

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Yamakov, Vesselin↗

NASA NTRS2008

An Embedded Statistical Method for Coupling Molecular Dynamics and Finite Element Analyses

Saether, E.↗

DOE OSTI2015

Verification assessment of piston boundary conditions for Lagrangian simulation of compressible flow similarity solutions

This work is concerned with the use of similarity solutions of the compressible flow equations as benchmarks or verification test problems for finite-volume compressible flow simulation software. In practice, this effort can be complicated by the infinite spatial/temporal extent of many candidate solutions or “test problems.” Methods can be devised with the intention of ameliorating this inconsistency with the finite nature of computational simulation; the exact strategy will depend on the code and problem archetypes under investigation. For example, self-similar shock wave propagation can be represented in Lagrangian compressible flow simulations as rigid boundary-driven flow, even if no such “piston” is present in the counterpart mathematical similarity solution. The purpose of this work is to investigate in detail the methodology of representing self-similar shock wave propagation as a piston-driven flow in the context of various test problems featuring simple closed-form solutions of infinite spatial/temporal extent. The closed-form solutions allow for the derivation of similarly closed-form piston boundary conditions (BCs) for use in Lagrangian compressible flow solvers. Finally, the consequences of utilizing these BCs (as opposed to directly initializing the self-similar solution in a computational spatial grid) are investigated in terms of common code verification analysis metrics (e.g., shock strength/position errors and global convergence rates).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1991

Computation of viscous blast wave flowfields

A method to determine unsteady solutions of the Navier-Stokes equations was developed and applied. The structural finite-volume, approximately factored implicit scheme uses Newton subiterations to obtain the spatially and temporally second-order accurate time history of the interaction of blast-waves with stationary targets. The inviscid flux is evaluated using MacCormack's modified Steger-Warming flux or Roe flux difference splittings with total variation diminishing limiters, while the viscous flux is computed using central differences. The use of implicit boundary conditions in conjunction with a telescoping in time and space method permitted solutions to this strongly unsteady class of problems. Comparisons of numerical, analytical, and experimental results were made in two and three dimensions. These comparisons revealed accurate wave speed resolution with nonoscillatory discontinuity capturing. The purpose of this effort was to address the three-dimensional, viscous blast-wave problem. Test cases were undertaken to reveal these methods' weaknesses in three regimes: (1) viscous-dominated flow; (2) complex unsteady flow; and (3) three-dimensional flow. Comparisons of these computations to analytic and experimental results provided initial validation of the resultant code. Addition details on the numerical method and on the validation can be found in the appendix. Presently, the code is capable of single zone computations with selection of any permutation of solid wall or flow-through boundaries.

Atwood, Christopher A.↗

DOE OSTI2020

Efficient and Flexible Sensitivity Matrix Computation for Adaptive Electrical Capacitance Volume Tomography

Electrical capacitance tomography is a widely used sensor modality for flow imaging in many industrial settings. Adaptive Electrical Capacitance Volume Tomography (AECVT) extends the capabilities of traditional ECT by enabling direct volumetric imaging and an improved resolution. Construction of the sensitivity matrix is a necessary step to obtain flow images. This step requires computation of the electric field inside the sensing domain, which is done via a typical field solver such as the finite element method. In this work, we present an efficient and flexible method to construct the sensitivity matrix for Adaptive Electrical Capacitance Volume Tomography (AECVT) based on individual electrode segment excitations and their judicious combination to form desired matrix elements. We illustrate how the proposed method yields the same sensitivity matrix as the traditional method but at a much lower computational cost. Once all segment contributions are obtained, we also indicate how the proposed method, unlike the traditional approach, can generate the sensitivity matrix on demand for an arbitrary combination of synthetic electrodes and obviating the need for any additional field computations. Finally, we present image reconstruction results for two different experimental scenarios where the mutual capacitance data and the corresponding sensitivity vectors are obtained through the proposed measurement combination scheme.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1988

The multi-zone calculation of turbomachinery flows. II - The multi-zone calculation of the turbulent, two-specie flow through the SSME HPFTP first and second stage cavities

A multi-zone Navier-Stokes methodology to calculate the two-specie flow through the first and second stage cooling cavities of the Space Shuttle Main Engine (SSME) high pressure fuel turbopump (HPFTP) is developed. A simplified two-component fluid formulation is used to model the interaction of coolant and hot gas. Johnston's secant approximation is used to define an appropriate near wall velocity for use in a three-dimensional law of the wall. The basic Navier-Stokes algorithm used is a finite-volume, predictor-corrector algorithm which uses a pressure correction technique. A multi-zone method is used to partition each cavity into easily handled subdomains. The results show that coolant flow is pumped up the turbine wheel for both cavities, creating a region of large temperature gradients on the turbine shank.

Williams, M.↗

NASA NTRS1989

Transonic viscous flow calculations for a turbine cascade with a two equation turbulence model

A numerical method for the study of steady, transonic, turbulent viscous flow through plane turbine cascades is presented. The governing equations are written in Favre-averaged form and closed with a first order model. The turbulent quantities are expressed according to a two-equation kappa-epsilon model where low Reynolds number and compressibility effects are included. The solution is obtained by using a pseudo-unsteady method with improved perturbation propagation properties. The equations are discretized in space by using a finite volume formulation. An explicit multistage dissipative Runge-Kutta algorithm is then used to advance the flow equations in the pseudo-time. First results of calculations compare fairly well with experimental data.

Boretti, A. A.↗

NASA NTRS1992

A comparison of upwind schemes for computation of three-dimensional hypersonic real-gas flows

The method of Suresh and Liou (1992) is extended, and the resulting explicit noniterative upwind finite-volume algorithm is applied to the integration of 3D parabolized Navier-Stokes equations to model 3D hypersonic real-gas flowfields. The solver is second-order accurate in the marching direction and employs flux-limiters to make the algorithm second-order accurate, with total variation diminishing in the cross-flow direction. The algorithm is used to compute hypersonic flow over a yawed cone and over the Ames All-Body Hypersonic Vehicle. The solutions obtained agree well with other computational results and with experimental data.

Gerbsch, R. A.↗

NASA NTRS1993

Development of an explicit multiblock/multigrid flow solver for viscous flows in complex geometries

A new computer program is being developed for doing accurate simulations of compressible viscous flows in complex geometries. The code employs the full compressible Navier-Stokes equations. The eddy viscosity model of Baldwin and Lomax is used to model the effects of turbulence on the flow. A cell centered finite volume discretization is used for all terms in the governing equations. The Advection Upwind Splitting Method (AUSM) is used to compute the inviscid fluxes, while central differencing is used for the diffusive fluxes. A four-stage Runge-Kutta time integration scheme is used to march solutions to steady state, while convergence is enhanced by a multigrid scheme, local time-stepping and implicit residual smoothing. To enable simulations of flows in complex geometries, the code uses composite structured grid systems where all grid lines are continuous at block boundaries (multiblock grids). Example results are shown a flow in a linear cascade, a flow around a circular pin extending between the main walls in a high aspect-ratio channel, and a flow of air in a radial turbine coolant passage.

Steinthorsson, E.↗

NASA NTRS1993

Development of an explicit multiblock/multigrid flow solver for viscous flows in complex geometries

A new computer program is being developed for doing accurate simulations of compressible viscous flows in complex geometries. The code employs the full compressible Navier-Stokes equations. The eddy viscosity model of Baldwin and Lomax is used to model the effects of turbulence on the flow. A cell centered finite volume discretization is used for all terms in the governing equations. The Advection Upwind Splitting Method (AUSM) is used to compute the inviscid fluxes, while central differencing is used for the diffusive fluxes. A four-stage Runge-Kutta time integration scheme is used to march solutions to steady state, while convergence is enhanced by a multigrid scheme, local time-stepping, and implicit residual smoothing. To enable simulations of flows in complex geometries, the code uses composite structured grid systems where all grid lines are continuous at block boundaries (multiblock grids). Example results shown are a flow in a linear cascade, a flow around a circular pin extending between the main walls in a high aspect-ratio channel, and a flow of air in a radial turbine coolant passage.

Steinthorsson, E.↗

NASA NTRS2023

Evaluation of Voronoi Meshes for Large Eddy Simulations of High Lift Aerodynamics

Numerical sensitivity to 3 different Voronoi seeding methods is investigated for Large Eddy Simulations (LES). A second order accurate, non-dissipative finite volume discretization is used to systematically investigate the effects of different polyhedral Voronoi mesh types using a sequence of three canonical problems with increasing complexity. First, inviscid isentropic vortex propagation is studied to demonstrate the substantial reduction of errors for rhombic dodecahedron and truncated octahedral cell types over Cartesian hexagonal cells of identical spacing. Furthermore, the reduction of errors induced at cell-size transitions (grid-coarsening interfaces) due to Lloyd smoothing iterations is quantified. It is shown that by utilizing an appropriate viscous flux discretization, a constant coefficient subgrid scale model is sufficient for non-linear stability at the 2:1 cell-size transitions on polyhedral grids, although some further error reduction does occur when smoothing is utilized. Next, forced homogeneous isotropic turbulence at an asymptotically large Reynolds number is studied to demonstrate the non-dissipative character of the inviscid flux discretization, and the non-linear robustness and accuracy offered by the viscous flux discretization using a subgrid scale model for all three Voronoi grid types. Finally,Wall-Modeled Large Eddy Simulations (WMLES) are performed to study the high-lift aerodynamics on the McDonnell Douglas 30P30N multi-element airfoil at two distinct grid levels and for two distinct Voronoi cell types. The formulation is shown to predict the aerodynamic loading with high accuracy at all angles of attack when sufficient resolution is reached, and the hexagonal prism grid topology, while computationally more expensive, has higher effective resolution compared to the Cartesian grid topology with the same spacing.

TTT↗

NASA NTRS2023

Evaluation of Voronoi Meshes for Large Eddy Simulations of High Lift Aerodynamics

Numerical sensitivity to 3 different Voronoi seeding methods is investigated for Large Eddy Simulations (LES). A second order accurate, non-dissipative finite volume discretization is used to systematically investigate the effects of different polyhedral Voronoi mesh types using a sequence of three canonical problems with increasing complexity. First, inviscid isentropic vortex propagation is studied to demonstrate the substantial reduction of errors for rhombic dodecahedron and truncated octahedral cell types over Cartesian hexagonal cells of identical spacing. Furthermore, the reduction of errors induced at cell-size transitions (grid-coarsening interfaces) due to Lloyd smoothing iterations is quantified. It is shown that by utilizing an appropriate viscous flux discretization, a constant coefficient subgrid scale model is sufficient for non-linear stability at the 2:1 cell-size transitions on polyhedral grids, although some further error reduction does occur when smoothing is utilized. Next, forced homogeneous isotropic turbulence at an asymptotically large Reynolds number is studied to demonstrate the non-dissipative character of the inviscid flux discretization, and the non-linear robustness and accuracy offered by the viscous flux discretization using a subgrid scale model for all three Voronoi grid types. Finally, Wall-Modeled Large Eddy Simulations (WMLES) are performed to study the high-lift aerodynamics on the McDonnell Douglas 30P30N multi-element airfoil at two distinct grid levels and for two distinct Voronoi cell types. The formulation is shown to predict the aerodynamic loading with high accuracy at all angles of attack when sufficient resolution is reached, and the hexagonal prism grid topology, while computationally more expensive, has higher effective resolution compared to the Cartesian grid topology with the same spacing.

TTT↗

DOE OSTI2024

In situ effective pumping speed measurements as a tool for non-evaporable getter activation and saturation monitoring

We have developed method of in situ effective pumping speed measurements based on injecting finite gas pulse into a vacuum volume and subsequent recording of pressure response using a Residual Gas Analyzer (RGA). The pressure burst caused by injected gas pulse falls exponentially in time and the exponential coefficient of such pressure decay is proportional to total effective pumping speed of all vacuum pumps acting on vacuum chamber volume. The effective pumping speed can be extracted from the dependence of injected gas species pressure vs time recorded by an RGA. Non-Evaporable Getters (NEGs) are widely used in multiple ultra and extremely high vacuum devices and applications during the last several decades. Areas of NEG applications were recently expanded into vacuum devices with relatively high-pressure levels (up to 10 -7 Torr) by the invention of high capacity ZAO NEG which can be operated at elevated temperatures. The intrinsic property of all NEG-based vacuum pumps is the reduction of their pumping speed, called “NEG saturation”, after an extended period of operation. Typical time interval for such process can span from about a month and up to a few years depending on NEG type, vacuum level of NEG pump operation, and residual gas content. After that, the NEG pump will require a re-activation cycle to restore its pumping speed close to the initial value. For many applications it is difficult to realize what is the current pumping speed of NEG pump is and when the pump should be re-activated. A method for in situ effective pumping speed measurements developed in this study can be used as a tool for NEG-based pump activation and saturation monitoring. Application of such an approach to monitor pumping status of NEG pumps was utilized and will be continually used at Extended EBIS which was recently developed and commissioned for Relativistic Heavy Ion Collider (RHIC) and future Electron Ion Collider (EIC). The results obtained during commissioning are presented and discussed.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

A practical approach to calculating magnetic Johnson noise for precision measurements

Magnetic Johnson noise is an important consideration for many applications involving precision magnetometry, and its significance will only increase in the future with improvements in measurement sensitivity. The fluctuation–dissipation theorem can be utilized to derive analytic expressions for magnetic Johnson noise in certain situations, but when used in conjunction with finite element analysis tools, the combined approach is particularly powerful as it provides a practical means to calculate the magnetic Johnson noise arising from conductors of arbitrary geometry and permeability. In this paper, we demonstrate this method to be one of the most comprehensive approaches presently available to calculate thermal magnetic noise. In particular, its applicability is shown to not be limited to cases where the noise is evaluated at a point in space but also can be expanded to include cases where the magnetic field detector has a more general shape, such as a finite-size loop, a gradiometer, or a detector that consists of a polarized atomic species trapped in a volume. Furthermore, some physics insights gained through studies made using this method are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

High-Speed and High-Quality Field Welding Repair Based on Advanced Non-Destructive Evaluation and Numerical Modeling

Creep strength-enhanced ferritic (CSEF) steels such as Grade 91 (9Cr-1Mo-V) and Grade 92 (Fe-9Cr-2W-0.5Mo) steels are widely used in the fossil-fuel-fired and nuclear power plants. The weld integrity of these steels is crucial for power plants' safe and reliable operations. Due to harsh service conditions, the steel weld can become susceptible to environmental degradation. Field welding repair is used to restore the degraded weld’s performance where a controlled temper-bead welding technique is commonly used to temper the freshly formed martensite during welding. However, knowledge of weld repairability is limited and experimental trial and error optimization to achieve desired microstructure and joint properties is expensive and time-consuming. Many existing computational models, e.g., finite element models, are limited to solving heat conduction equation and ignoring convective heat transfer due to molten metal flow. These models can result in over-prediction of peak temperatures of weld pool and heat-affected zone (HAZ), which in turn can affect the accuracy of tempering prediction. Moreover, these finite element models require an input of the deposit profiles in advance and thus limits the usability of these models. Here, a molten pool-based, multi-pass multi-layer model has been developed based on computational fluid dynamics (CFD) approach with the Volume of Fluid (VOF) method. The model calculates the bead formation, thereby eliminating the need for pre-determined bead profiles required by finite element models. For computational efficiency, a coordinate system attached to the moving heat source is utilized. A subroutine is developed to convert the temperature profiles in the reference frame stationary to the heat source to that stationary to the workpiece. The converted thermal cycles are then imported into a microstructure model to compute the tempering kinetics and resultant hardness using a Johnson-Mehl-Avrami-Kolmogorov (JMAK), and modified Grange-Baughman parameter. The modeling approach is first developed and validated on single- and multi-pass deposition of stainless steel filler metal onto a SA-533 high strength steel substrate. The models are then applied to a multi-pass V-groove repair weld of Grade 91 steel plate as well as directed energy deposition of Grade 92 steel. Non-destructive characterization of microstructures was performed on Grade 91 and 92 steel welds. Two welding processes, cold metal transfer (CMT) and flux-cored arc welding (FCAW), were investigated for the Grade 91 steel weld samples. For the Grade 92 weld samples, three different heat inputs (low, medium, and high) of gas tungsten arc welding (GTAW) were utilized to replicate traditional field welding processes. The non-destructive evaluation (NDE) method used for this research was immersion ultrasonic testing (UT) using a micro-resolution ultrasonic imaging methodology specifically designed to operate in the through-transmission configuration operating at 20 MHz of frequency. The system used a focused ultrasonic beam spot size diameter between 250-300 μm, and a 6 μm laser vibrometer spot size for detection, to produce highly defined images with longitudinal and mode-converted shear waves. From the micro-resolution ultrasonic C-scan images, three microstructural regions, i.e., weld metal (WM), HAZ, and base metal (BM), were clearly identifiable. Various levels of ultrasonic amplitudes distributed over the three regions were correlated with electron beam backscattered diffraction (EBSD) images using grain size, grain boundaries, and dislocation densities. The results showed that areas with relatively higher ultrasonic amplitude levels were associated with smaller grains and higher dislocation densities, while areas with lower amplitude levels were associated with larger grains and lower dislocation densities. In addition, ultrasonic velocity data obtained across the three different weld microstructural regions of Grade 91 test samples were correlated with optical metallographic images and hardness measurements. The results showed distinctive decreases in ultrasonic velocity and hardness over the HAZ region, where weld failures often occur during service.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Charged-Particle Bound States in Periodic Boxes

We consider the binding energy of a two-body system with a repulsive Coulomb interaction in a finite periodic volume. We define the finite-volume Coulomb potential as the usual Coulomb potential, except that the distance is defined the shortest separation between the two bodies in the periodic volume. We investigate this problem in one and three-dimensional periodic boxes and derive the asymptotic behavior of the volume dependence for bound states with zero angular momentum in terms of Whittaker functions. We benchmark our results against numerical calculations and show how the method can be used to extract asymptotic normalization coefficients for charged-particle bound states. Furthermore, the results we derive here have immediate applications for calculations of atomic nuclei in finite periodic volumes for the case where the leading finite-volume correction is associated with two charged clusters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1996

Simulation of Two-Fluid Flows by the Least-Squares Finite Element Method Using a Continuum Surface Tension Model

In this paper a numerical procedure for simulating two-fluid flows is presented. This procedure is based on the Volume of Fluid (VOF) method proposed by Hirt and Nichols and the continuum surface force (CSF) model developed by Brackbill, et al. In the VOF method fluids of different properties are identified through the use of a continuous field variable (color function). The color function assigns a unique constant (color) to each fluid. The interfaces between different fluids are distinct due to sharp gradients of the color function. The evolution of the interfaces is captured by solving the convective equation of the color function. The CSF model is used as a means to treat surface tension effect at the interfaces. Here a modified version of the CSF model, proposed by Jacqmin, is used to calculate the tension force. In the modified version, the force term is obtained by calculating the divergence of a stress tensor defined by the gradient of the color function. In its analytical form, this stress formulation is equivalent to the original CSF model. Numerically, however, the use of the stress formulation has some advantages over the original CSF model, as it bypasses the difficulty in approximating the curvatures of the interfaces. The least-squares finite element method (LSFEM) is used to discretize the governing equation systems. The LSFEM has proven to be effective in solving incompressible Navier-Stokes equations and pure convection equations, making it an ideal candidate for the present applications. The LSFEM handles all the equations in a unified manner without any additional special treatment such as upwinding or artificial dissipation. Various bench mark tests have been carried out for both two dimensional planar and axisymmetric flows, including a dam breaking, oscillating and stationary bubbles and a conical liquid sheet in a pressure swirl atomizer.

Wu, Jie↗