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At least 739 records · Page 41

A machine learning approach for clinker quality prediction and nonlinear model predictive control design for a rotary cement kiln

Abstract Cement manufacturing is energy‐intensive (5Gj/t) and comprises a significant portion of the energy footprint of concrete systems. Incorporating modern monitoring, simulation and control systems will allow lower energy use, lower environmental impact, and lower costs of this widely used construction material. One of the goals of the CESMII roadmap project on the Smart Manufacturing of Cement included developing an analytical process model for clinker quality that includes the chemistry of the kiln feed and accounts for critical process variables. This predictive model will be used in nonlinear model predictive control system designed to significantly reduce process energy use while maintaining or improving product quality. In the cement manufacturing plant used in this study, the kiln feed (meal) is tested every 12 h and used to estimate the mineral composition of the cement kiln output (clinker) using the stoichiometry‐based Bogue's model and the expertise of the plant operators. During kiln operation, kiln output (clinker) is sampled and tested every 2 h to measure its chemical and mineral composition. The predicted and measured values of the clinker composition are used by the plant operators to adjust the kiln input stream and the production process characteristics to maintain stable operation and uniform product quality. However, the time delay between prediction and testing, along with inaccuracies inherent in the Bogue's model have made any process changes designed to minimize energy use problematic, especially in‐light of potential clinker quality issues that process changes often pose. A new analytical model that integrates quality information and process operation information has been developed from data collected from 2 years of production from an operating cement facility. To make the model fuel‐type‐independent, consumed heat energy was computed in the model instead of fuel type and amount. A Feedforward Network was trained and tailored from collected data. Many data‐based simulations were conducted to quantitatively evaluate the proposed model and the 5‐fold cross‐validation procedure was used to test the models. The resulting predictive model was shown to have a low root mean square error (MSE) with respect to the estimated clinker mineral composition compared to that using the industry standard “Bogue’ model”. The end goal of this work was to develop a single machine learning tool that allows the use of quality control data and process control variables to improve energy efficiency of the process in a continuous fashion. The proposed nonlinear model predictive control system (NMPC) can generate predicted kiln production characteristics based on manipulated variables in manner that accurately follows the target product quality values. Simulation results also show that the proposed model produced accurate predictions of kiln outputs that fell within the required constraints, while manipulating control variables within typical operational ranges.

Ali, Asem M.↗

RC-SFA Data Management Templates and Guidance for Standardized, Reusable AI-Ready Data Packages

This data package provides templates and supporting documentation developed by the River Corridor Science Focus Area (RC-SFA; https://www.pnnl.gov/projects/river-corridor) to communicate its approach to managing and publishing AI-ready data. The package is intended to help data users and data producers understand the structures, metadata practices, and quality-control approaches that support consistent, reusable, and machine-actionable data products across RC-SFA studies. Rather than focusing on a single experimental dataset, this package documents the data management framework used to make RC-SFA data easier to find, ingest, navigate, and interpret. The materials in this package reflect RC-SFA practices for standardized data package organization, including the use of a human- and machine-readable README, file-level metadata, data dictionaries, descriptive file naming, method identifiers, and automated and review-based quality assurance procedures. Together, these components illustrate how RC-SFA extends FAIR data principles toward AI-readiness by prioritizing deep metadata, consistency across data packages, and support for informed downstream reuse by both humans and computational tools. This dataset is comprised of (1) readme; (2) presentation slides with an overview of RC-SFA approach and guidance; (3) document of RC-SFA best practices; (4) data dictionary (dd); (5) file level metadata (flmd); and a subfolder containing templates for dd and flmd. All files are .csv and .pdf. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About.

AI-readiness↗

Iterative solution of transonic flows over airfoils and wings, including flows at Mach 1

A new method of calculating transonic flows based on a 'rotated' difference scheme is described. It is suitable for the calculation of both two- and three-dimensional flows without restriction on the speed at infinity and is well adapted to computer use. The Murman procedure is modified to eliminate any assumptions about the direction of flow when constructing the difference scheme. The proper directional property is obtained by rotating the difference scheme to conform with the local stream direction. In the hyperbolic region retarded difference formulas are used for all contributions to the streamwise second derivative, producing a correctly oriented positive artificial viscosity. In the absence of a simple implicit scheme in the hyperbolic and elliptic regions, the concept of iterations as steps in artificial time is introduced. Computer testing of this procedure provides numerical confirmation of the existence and uniqueness of weak solutions of the potential equation when a suitable entropy inequality is enforced.

Jameson, A.↗

Statistical analysis of multivariate atmospheric variables

Topics covered include: (1) estimation in discrete multivariate distributions; (2) a procedure to predict cloud cover frequencies in the bivariate case; (3) a program to compute conditional bivariate normal parameters; (4) the transformation of nonnormal multivariate to near-normal; (5) test of fit for the extreme value distribution based upon the generalized minimum chi-square; (6) test of fit for continuous distributions based upon the generalized minimum chi-square; (7) effect of correlated observations on confidence sets based upon chi-square statistics; and (8) generation of random variates from specified distributions.

Tubbs, J. D.↗

A new predictive model for determining solar wind-terrestrial planet interactions

A computational model has been developed for the determination of the gasdynamic and magnetic field properties of the solar wind flow around a magnetic planet, such as the earth, or a nonmagnetic planet, such as Venus. The procedures are based on an established single-fluid, steady, dissipationless, magnetogasdynamic model and are appropriate for the calculation of axisymmetric, supersonic, super-Alfvenic solar wind flow past a planetary magneto/ionosphere. Sample results are reported for a variety of solar wind and planetary conditions. Some of these are new applications; others are included to show that the new procedures produce the same results as previous procedures when applied to the same conditions. The new methods are completely automated and much more efficient and versatile than those employed heretofore.

Spreiter, J. R.↗

Designing Power-Transmission Shafting

Consideration of stress and fatigue life gives better designs. Shafting-design procedure developed based on fatigue-strength considerations. Method accounts for effects of static and constant-amplitude fluctuating loads. Also provides shaft-diameter estimates for variable amplitude-loading duty cycles. Method lends itself to computer-aided design of both aerospace and industrial shafting.

Loewenthal, S. H.↗

Parallel-vector solution of large-scale structural analysis problems on supercomputers

A direct linear equation solution method based on the Choleski factorization procedure is presented which exploits both parallel and vector features of supercomputers. The new equation solver is described, and its performance is evaluated by solving structural analysis problems on three high-performance computers. The method has been implemented using Force, a generic parallel FORTRAN language.

Storaasli, Olaf O.↗

Neural network classification of questionable EGRET events

High energy gamma rays (greater than 20 MeV) pair producing in the spark chamber of the Energetic Gamma Ray Telescope Experiment (EGRET) give rise to a characteristic but highly variable 3-D locus of spark sites, which must be processed to decide whether the event is to be included in the database. A significant fraction (about 15 percent or 10(exp 4) events/day) of the candidate events cannot be categorized (accept/reject) by an automated rule-based procedure; they are therefore tagged, and must be examined and classified manually by a team of expert analysts. We describe a feedforward, back-propagation neural network approach to the classification of the questionable events. The algorithm computes a set of coefficients using representative exemplars drawn from the preclassified set of questionable events. These coefficients map a given input event into a decision vector that, ideally, describes the correct disposition of the event. The net's accuracy is then tested using a different subset of preclassified events. Preliminary results demonstrate the net's ability to correctly classify a large proportion of the events for some categories of questionables. Current work includes the use of much larger training sets to improve the accuracy of the net.

Meetre, C. A.↗

An efficient pressure-velocity procedure for gas-droplet two-phase flow calculations

This paper presents a noniterative numerical technique for computing time-dependent gas-droplet flows. The method is a fully interacting combination of Eulerian fluid and Lagrangian particle calculations. The interaction calculations between the two phases are formulated on a pressure-velocity-coupling procedure based on the operator-splitting technique. This procedure eliminates the global iterations required in the conventional particle-source-in-cell procedure. Turbulent dispersion calculations are treated by a stochastic procedure. Numerical calculations and comparisons with available experimental data as well as efficiency assessments are given for some sprays typical of spray combustion applications.

Chen, C. P.↗

Real-time dynamics and control strategies for space operations of flexible structures

This project (NAG9-574) was meant to be a three-year research project. However, due to NASA's reorganizations during 1992, the project was funded only for one year. Accordingly, every effort was made to make the present final report as if the project was meant to be for one-year duration. Originally, during the first year we were planning to accomplish the following: we were to start with a three dimensional flexible manipulator beam with articulated joints and with a linear control-based controller applied at the joints; using this simple example, we were to design the software systems requirements for real-time processing, introduce the streamlining of various computational algorithms, perform the necessary reorganization of the partitioned simulation procedures, and assess the potential speed-up realization of the solution process by parallel computations. The three reports included as part of the final report address: the streamlining of various computational algorithms; the necessary reorganization of the partitioned simulation procedures, in particular the observer models; and an initial attempt of reconfiguring the flexible space structures.

Park, K. C.↗

Supersonic wing and wing-body shape optimization using an adjoint formulation

This paper describes the implementation of optimization techniques based on control theory for wing and wing-body design of supersonic configurations. The work represents an extension of our earlier research in which control theory is used to devise a design procedure that significantly reduces the computational cost by employing an adjoint equation. In previous studies it was shown that control theory could be used to~eviseransonic design methods for airfoils and wings in which the shape and the surrounding body-fitted mesh are both generated analytically, and the control is the mapping function. The method has also been implemented for both transonic potential flows and transonic flows governed by the Euler equations using an alternative formulation which employs numerically generated grids, so that it can treat more general configurations. Here results are presented for three-dimensional design cases subject to supersonic flows governed by the Euler equation.

Reuther, James↗

Analysis and computation of three-dimensional flow in strongly curved ducts

Numerical solutions are presented for three-dimensional laminar and turbulent flow in curved ducts of rectangular cross section and significant curvature. The analysis is based on a primary-secondary velocity decomposition in a given coordinate system, and leads to approximate governing equations which correct an a priori inviscid solution for viscous effects, secondary flows, total pressure distortion, heat transfer, and internal flow blockage and losses. Solution of the correction equations is accomplished as an initial-value problem in space using an implicit forward-marching technique. The overall solution procedure requires significantly less computational effort than Navier-Stokes algorithms. The present solution procedure is effective even with the extreme local mesh resolution which is necessary to resolve near-wall sublayer regions in turbulent flow calculations. Computed solutions for both laminar and turbulent flow compare very favorably with available analytical and experimental results.

Kreskovsky, J. P.↗

Finite volume computation of unsteady inviscid rotational transonic flows past airfoils in rigid body motion

Unsteady inviscid transonic flow over airfoils in arbitrary rigid body motion is analyzed numerically by solving the two-dimensional unsteady Euler equations in integral form using a finite volume scheme. The solution procedure is based on an explicit Runge-Kutta time-stepping scheme wherein the spatial terms are central-differenced and a combination of second- and fourth-differences in the flow variables are used to form the numerical dissipation terms to stabilize the scheme. Unsteady calculations are started from converged steady-state solutions as initial conditions. Nonreflective boundary conditions are imposed on the far-field boundaries. Results are presented and, where possible, validated against available numerical and experimental data for airfoils subjected to a step change in angle of attack, airfoils oscillating and plunging in transonic flow, and airfoils immersed in a time-varying free stream.

Damodaran, Murali↗

A multiblock, multigrid solution procedure for multielement airfoils

A block-structured grid formulation is presented and discussed. The compressible Euler equations are solved on the decomposed domain with a multigrid method based on Runge-Kutta time stepping and centered spatial differencing. The flexibility of the multiblock approach is demonstrated by computing low speed inviscid flow over two different multielement airfoil configurations.

Sanetrik, Mark D.↗

Reliability enhancement of Navier-Stokes codes through convergence enhancement

Reduction of total computing time required by an iterative algorithm for solving Navier-Stokes equations is an important aspect of making the existing and future analysis codes more cost effective. Several attempts have been made to accelerate the convergence of an explicit Runge-Kutta time-stepping algorithm. These acceleration methods are based on local time stepping, implicit residual smoothing, enthalpy damping, and multigrid techniques. Also, an extrapolation procedure based on the power method and the Minimal Residual Method (MRM) were applied to the Jameson's multigrid algorithm. The MRM uses same values of optimal weights for the corrections to every equation in a system and has not been shown to accelerate the scheme without multigriding. Our Distributed Minimal Residual (DMR) method based on our General Nonlinear Minimal Residual (GNLMR) method allows each component of the solution vector in a system of equations to have its own convergence speed. The DMR method was found capable of reducing the computation time by 10-75 percent depending on the test case and grid used. Recently, we have developed and tested a new method termed Sensitivity Based DMR or SBMR method that is easier to implement in different codes and is even more robust and computationally efficient than our DMR method.

Choi, K.-Y.↗

Enhanced Simulation Techniques in Predicting Sonic Boom Loudness Using CFD

This paper outlines advancements in predicting sonic boom loudness within the Launch, Ascent, and Vehicle Aerodynamics (LAVA) computational framework. Traditionally, a two step process consisting of a steady state computational fluid dynamics problem for near-field analysis and a far-field propagation solver for calculation of loudness metrics has been used. Improvements to this process made in this work include utilizing a high-order space marching method for mid-field computations, developing a novel output-based mesh adaptation method targeting error in near-field pressure sig-natures, and developing a robust scripting system using curvilinear grids to increase robustness and simplify the process of running large databases of simulation cases. These advancements are detailed and applied to the simulation of the X-59, presenting comparative cost and timing analyses between the prior two step workflow and the current three step procedure. We achieve increased accuracy and robustness for loudness predictions with at least a50%computational cost reduction.

CST↗

The Generality of the GUGA MRCI Approach in COLUMBUS for Treating Complex Quantum Chemistry

The core part of the program system COLUMBUS allows highly efficient calculations using variational multireference (MR) methods in the framework of configuration interaction with single and double excitations (MR-CISD) and averaged quadratic coupled-cluster calculations (MR-AQCC), based on uncontracted sets of configurations and the graphical unitary group approach (GUGA). The availability of analytic MR-CISD and MR-AQCC energy gradients and analytic nonadiabatic couplings for MR-CISD enables exciting applications including, e.g., investigations of π-conjugated biradicaloid compounds, calculations of multitudes of excited states, development of diabatization procedures, and furnishing the electronic structure information for on-the-fly surface nonadiabatic dynamics. With fully variational uncontracted spin-orbit MRCI, COLUMBUS provides a unique possibility of performing high-level calculations on compounds containing heavy atoms up to lanthanides and actinides. Crucial for carrying out all of these calculations effectively is the availability of an efficient parallel code for the CI step. Configuration spaces of several billion in size now can be treated quite routinely on standard parallel computer clusters. Emerging developments in COLUMBUS, including the all configuration mean energy multiconfiguration self-consistent field method and the graphically contracted function method, promise to allow practically unlimited configuration space dimensions. Spin density based on the GUGA approach, analytic spin-orbit energy gradients, possibilities for local electron correlation MR calculations, development of general interfaces for nonadiabatic dynamics, and MRCI linear vibronic coupling models conclude this overview.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Remote estimation of surface temperature in pollution measurement experiments

The procedure described was developed for inferring the effective brightness temperature (EBT) of the underlying surface (at a given altitude) from the computed value of the radiance corresponding to a known surface temperature. A standard temperature correction to EBT (termed 'base correction') is first determined by using a 'base model atmosphere' for computing the upwelling radiance. Additional temperature corrections are then determined by considering several variations of the different surface and atmospheric parameters from their 'base model' values. Empirical relations are derived between the deviations of various surface and atmospheric parameters (from their base model values) and the additional corrections required for the EBT as a result of these variations. Use of such relations for large-scale data reduction, instead of radiative transfer calculations, is expected to result in drastic cost decrease.

Gupta, S. K.↗