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At least 1,729 records · Page 96

PARETO 0.9.0 Release

PARETO 0.9.0 Release. Highlights: New Features - Initial beneficial reuse implementation - Post-optimization timing for infrastructure buildout Bug Fixes - Address Pyomo solver bug for UI Gurobi solve - Update Toy Case Study to feasible data for hydraulics post_process - Update Jupyter notebook for fall release UI Updates - Added functionality to optimize with hydraulics options - Added new plots to KPI dashboard for water quality and hydraulics timelines

PARETO,PARETO-UI,PSE,Process Systems Engineering,P↗

Randomized Algorithms for Scientific Computing (RASC)

Randomized algorithms have propelled advances in artificial intelligence (AI) and represent a foundational research area in advancing AI for Science. Future advancements in DOE Office of Science priority areas such as climate science, astrophysics, fusion, advanced materials, combustion, and quantum computing all require randomized algorithms for surmounting challenges of complexity, robustness, and scalability. Advances in data collection and numerical simulation have changed the dynamics of scientific research and motivate the need for randomized algorithms. For instance, advances in imaging technologies such as X-ray ptychography, electron microscopy, electron energy loss spectroscopy, or adaptive optics lattice light-sheet microscopy collect hyperspectral imaging and scattering data in terabytes, at breakneck speed enabled by state-of-the-art detectors. The data collection is exceptionally fast compared with its analysis. Likewise, advances in high-performance architectures have made exascale computing a reality and changed the economies of scientific computing in the process. Floating-point operations that create data are essentially free in comparison with data movement. Thus far, most approaches have focused on creating faster hardware. Ironically, this faster hardware has exacerbated the problem by making data still easier to create. Under such an onslaught, scientists often resort to heuristic deterministic sampling schemes (e.g., low-precision arithmetic, sampling every nth element) and sacrifice potentially valuable accuracy. Dramatically better results can be achieved via randomized algorithms, reducing the data size as much as or more than naive deterministic subsampling can achieve, while retaining the high accuracy of computing on the full data set. By randomized algorithms we mean those algorithms that employ some form of randomness in internal algorithmic decisions to accelerate time to solution, increase scalability, or improve reliability. Examples include matrix sketching for solving large-scale least-squares problems (see Figure 1) and stochastic gradient descent for training machine learning models. We are not recommending heuristic methods but rather randomized algorithms that have certificates of correctness and probabilistic guarantees of optimality and near-optimality. Such approaches can be useful beyond acceleration, for example, in understanding how to avoid measure zero worst-case scenarios that plague methods such as QR matrix factorization.

97 MATHEMATICS AND COMPUTING↗

An Ensemble Score Filter for Tracking High-Dimensional Nonlinear Dynamical Systems

We propose an ensemble score filter (EnSF) for solving high-dimensional nonlinear filtering problems with superior accuracy. A major drawback of existing filtering methods, e.g., particle filters or ensemble Kalman filters, is the low accuracy in handling high-dimensional and highly nonlinear problems. EnSF attacks this challenge by exploiting the score-based diffusion model, defined in a pseudo-temporal domain, to characterizing the evolution of the filtering density. EnSF stores the information of the recursively updated filtering density function in the score function, in stead of storing the information in a set of finite Monte Carlo samples (used in particle filters and ensemble Kalman filters). Unlike existing diffusion models that train neural networks to approximate the score function, we develop a training-free score estimation that uses mini-batch-based Monte Carlo estimator to directly approximate the score function at any pseudo-spatial-temporal location, which provides sufficient accuracy in solving high-dimensional nonlinear problems as well as saves tremendous amount of time spent on training neural networks. Another essential aspect of EnSF is its analytical update step, gradually incorporating data information into the score function, which is crucial in mitigating the degeneracy issue faced when dealing with very high-dimensional nonlinear filtering problems. High-dimensional Lorenz systems are used to demonstrate the performance of our method. EnSF provides surprisingly impressive performance in reliably tracking extremely high-dimensional Lorenz systems (up to 1,000,000 dimension) with highly nonlinear observation processes, which is a well-known challenging problem for existing filtering methods.

97 MATHEMATICS AND COMPUTING↗

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↗

Gravitational collapse of a turbulent vortex with application to star formation

The gravitational collapse of a rotating cloud or vortex is analyzed by expanding the dependent variables in the equations of motion in two-dimensional Taylor series in the space variables. It is shown that the gravitation and rotation terms in the equations are of first order in the space variables, the pressure gradient terms are of second order, and the turbulent viscosity term is of third order. The presence of a turbulent viscosity insures that the initial rotation is solid-body-like near the origin. The effect of pressure on the collapse process is found to depend on the shape of the initial density disturbance at the origin. Dimensionless collapse times, as well as the evolution of density and velocity, are calculated by solving numerically the system of nonlinear ordinary differential equations resulting from the series expansions. The axial inflow plays an important role and allows collapse to occur even when the rotation is large. An approximate solution of the governing partial differential equations is also given; the equations are used to study the spacial distributions of the density and velocity.

Deissler, R. G.↗

Energy Conversion Alternatives Study (ECAS), Westinghouse phase 1. Volume 2: Materials considerations

Extensive studies are presented which were carried out on materials behavior in nine advanced energy conversion systems employing coal and coal-derived fuels. The areas of materials behavior receiving particular attention in this regard are: (1) fireside corrosion and erosion in boiler and heat exchanger materials, (2) oxidation and hot corrosion of gas turbine materials, (3) liquid metal corrosion and mass transport, (4) high temperature steam corrosion, (5) compatability of materials with coal slag and MHD seed, (6) reaction of materials with impure helium, (7) allowable stresses for boiler and heat exchanger materials, (8) environmental effects on mechanical properties, and (9) liquid metal purity control and instrumentation. Such information was then utilized in recommending materials for use in the critical components of the power systems, and at the same time to identify materials problem areas and to evaluate qualitatively the difficulty of solving those problems. Specific materials recommendations for critical components of the nine advanced systems under study are contained in summary tables.

Thomas, D. E.↗

Gravitational collapse of a turbulent vortex with application to star formation

The gravitational collapse of a rotating cloud or vortex is analyzed by expanding the dependent variables in the equations of motion in two-dimensional Taylor series in the space variables. It is shown that the gravitation and rotation terms in the equations are of first order in the space variables, the pressure gradient terms are of second order, and the turbulent viscosity term is of third order. The presence of a turbulent viscosity insures that the initial rotation is solid-body-like near the origin. The effect of pressure on the collapse process is found to depend on the shape of the intial density disturbance at the origin. Dimensionless collapse times, as well as the evolution of density and velocity, are calculated by solving numerically the system of nonlinear ordinary differential equations resulting from the series expansions. The axial inflow plays an important role and allows collapse to occur even when the rotation is large. An approximate solution of the governing partial differential equations is also given, in order to study the spacial distributions of the density and velocity.

Deissler, R. G.↗

Gravitational collapse of a turbulent vortex with application to star formation

The gravitational collapse of a rotating cloud or vortex is analyzed by expanding the dependent variables in the equations of motion in two-dimensional Taylor series in the space variables. It is shown that the gravitational and rotational terms in the equations are of first order in the space variables, the pressure-gradient terms are of second order, and the turbulent-viscosity term is of third order. The presence of turbulent viscosity ensures that the initial rotation is solid-body-like near the origin. The effect of pressure on the collapse process is found to depend on the shape of the initial density disturbance at the origin. Dimensionless collapse times, as well as the evolution of density and velocity, are calculated by solving numerically the system of nonlinear ordinary differential equations resulting from the series expansions. The axial flow is always inward and allows collapse to occur (axially) even when the rotation is large. An approximate solution of the governing partial differential equations is also given in order to study the spatial distributions of the density and velocity.

Deissler, R. G.↗

Preliminary study of the use of the STAR-100 computer for transonic flow calculations

A description is presented for a new explicit algorithm for solving the transonic small-disturbance potential equation on the STAR-100 computer. The STAR computer has a 'pipeline' type of processor which is very efficient in doing arithmetic operations on long vectors. Unfortunately, the successive line over-relaxation method, which represents the best method for solving the considered equation, is not suitable for vector-arithmetic procedures. The described algorithm, however, can be vectorized to make an employment of the STAR-100 possible. It is found that a use of the new algorithm for solving the equation on the STAR-100 computer can almost halve the computer time required for this type of computation when compared to successive line over-relaxation on the CYBER 175 computer.

Keller, J. D.↗

Computations of unsteady transonic flow governed by the conservative full potential equation using an alternating direction implicit algorithm

A development was the time linearization of the density function. This linearization reduces the solution process from solving just a single equation. Two sample cases were computed. First, a one dimensional traveling shock wave was computed and compared with the analytic solution. Second, a two dimensional case was calculated for a flow field which resulted from a thickening and subsequently, thinning airfoil. The resulting flow field, which included a traveling shock wave, was compared to the flow field obtained from the low frequency, small disturbance, transonic equation.

Goorjian, P. M.↗

Modal methods in optimal control synthesis

Efficient algorithms for solving linear smoother-follower problems with quadratic criteria are presented. For time-invariant systems, the algorithm consists of one backward integration of a linear vector equation and one forward integration of another linear vector equation. Furthermore, the backward and forward Riccati matrices can be expressed in terms of the eigenvalues and eigenvectors of the Euler-Lagrange equations. Hence, the gains of the forward and backward Kalman-Bucy filters and of the optimal state-feedback regulator can be determined without integration of matrix Riccati equations. A computer program has been developed, based on this method of determining the gains, to synthesize the optimal time-invariant compensator in the presence of random disturbance inputs and random measurement errors. The program also computes the rms state and control variables of the optimal closed-loop system.

Bryson, A. E., Jr.↗

Evolution of shock-induced pressure on a flat-face/flat-base body and afterbody flow separation

The time-dependent, compressible Reynolds-averaged, Navier-Stokes equations are applied to solve an axisymmetric supersonic flow around a flat-face/flat-base body with and without a sting support. Important transient phenomena, not yet well understood, are investigated, and the significance of the present solution to the phenomena is discussed. The phenomena, described in detail, are as follows: the transient formation of the bow and recompression shock waves; the evolution of a pressure buildup due to diffraction of the incident shock wave in the forebody and afterbody regions, including the luminosity accompanying the pressure buildup; the separation of the flow as influenced by pressure buildup; the location of the separation and the reattachment points; and the transient period of the shock-induced base flow. The important influence of the nonsteady (transient) and steady flow on the aerodynamic characteristics, radiative heat transfer, and, thus, on the survivability or safeguard problems for an aircraft fuselage, missile, or planetary entry probe at very high flight speeds is described.

Yoshikawa, K. K.↗

A spectral collocation method for the Navier-Stokes equations

A Fourier-Chebyshev spectral method for the incompressible Navier-Stokes equations is described. It is applicable to a variety of problems including some with fluid properties which vary strongly both in the normal direction and in time. In this fully spectral algorithm, a preconditioned iterative technique is used for solving the implicit equations arising from semi-implicit treatment of pressure, mean advection and vertical diffusion terms. The algorithm is tested by applying it to hydrodynamic stability problems in channel flow and in external boundary layers with both constant and variable viscosity.

Malik, M. R.↗

On the instability of a 3-dimensional attachment line boundary layer: Weakly nonlinear theory and a numerical approach

The instability of a three dimensional attachment line boundary layer is considered in the nonlinear regime. Using weakly nonlinear theory, it is found that, apart from a small interval near the (linear) critical Reynolds number, finite amplitude solutions bifurcate subcritically from the upper branch of the neutral curve. The time dependent Navier-Stokes equations for the attachment line flow have been solved using a Fourier-Chebyshev spectral method and the subcritical instability is found at wavenumbers that correspond to the upper branch. Both the theory and the numerical calculations show the existence of supercritical finite amplitude (equilibrium) states near the lower branch which explains why the observed flow exhibits a preference for the lower branch modes. The effect of blowing and suction on nonlinear stability of the attachment line boundary layer is also investigated.

Hall, P.↗

Preconditioned methods for solving the incompressible and low speed compressible equations

Acceleration methods are presented for solving the steady state incompressible equations. These systems are preconditioned by introducing artificial time derivatives which allow for a faster convergence to the steady state. The compressible equations in conservation form with slow flow are also considered. Two arbitrary functions, alpha and beta, are introduced in the general preconditioning. An analysis of this system is presented and an optimal value for beta is determined given a constant, alpha. It is further shown that the resultant incompressible equations form a symmetric hyperbolic system and so are well posed. Several generalizations to the compressible equations are presented which generalize previous results.

Turkel, E.↗

The efficient simulation of separated three-dimensional viscous flows using the boundary-layer equations

A simple and computationally efficient algorithm for solving the unsteady three-dimensional boundary-layer equations in the time-accurate or relaxation mode is presented. Results of the new algorithm are shown to be in quantitative agreement with detailed experimental data for flow over a swept infinite wing. The separated flow over a 6:1 ellipsoid at angle of attack, and the transonic flow over a finite-wing with shock-induced 'mushroom' separation are also computed and compared with available experimental data. It is concluded that complex, separated, three-dimensional viscous layers can be economically and routinely computed using a time-relaxation boundary-layer algorithm.

Van Dalsem, W. R.↗

A spectral collocation method for the Navier-Stokes equations

A Fourier-Chebyshev spectral method for the incompressible Navier-Stokes equations is described. It is applicable to a variety of problems including some with fluid properties which vary strongly both in the normal direction and in time. In this fully spectral algorithm, a preconditioned iterative technique is used for solving the implicit equations arising from semi-implicit treatment of pressure, mean advection and vertical diffusion terms. The algorithm is tested by applying it to hydrodynamic stability problems in channel flow and in external boundary layers with both constant and variable viscosity.

Malik, M. R.↗

On the analytical determination of relaxation modulus of viscoelastic materials by Prony's interpolation method

A computer implementation to Prony's curve fitting by exponential functions is presented. The method, although more than one hundred years old, has not been utilized to its fullest capabilities due to the restriction that the time range must be given in equal increments in order to obtain the best curve fit for a given set of data. The procedure used in this paper utilizes the 3-dimensional capabilities of the Interactive Graphics Design System (I.G.D.S.) in order to obtain the equal time increments. The resultant information is then input into a computer program that solves directly for the exponential constants yielding the best curve fit. Once the exponential constants are known, a simple least squares solution can be applied to obtain the final form of the equation.

Rodriguez, Pedro I.↗