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At least 37 records · Page 2

Equation modifying program, L219 (EQMOD). Volume 2: Supplemental system design and maintenance document

A digital computer program, L219 (EQMOD), available for execution on the CDC 6600 is described. The program modifies matrices according to card input instructions and prepares magnetic files of matrices suitable for use in the linear systems analysis program (QR) and the random harmonic analysis program L221 (TEV156). The particular field of application of the program is the modification of the theoretical equations of motion and load equations generated in DYLOFLEX by the equation of motion program (L217) and the load equation program (L218), respectively.

Hirayama, M. Y.↗

Equation modifying program, L219 (EQMOD). Volume 1: Engineering and usage

The analysis and use of the Equation Modifying Program (EQMOD) L219, digital computer program which modifies matrices according to specific instructions was described. The program modifies the theoretical equation of motion and load equations generated by the DYLOFLEX programs Equation of Motion L217 (EOM), and Load Equations, L218 (LOADS), respectively.

Miller, R. D.↗

Physics-Informed Generative Adversarial Networks for Stochastic Differential Equations

We developed a new class of physics-informed generative adversarial networks (PI-GANs) to solve forward, inverse, and mixed stochastic problems in a unified manner based on a limited number of scattered measurements. Unlike standard GANs relying solely on data for training, here we encoded into the architecture of GANs the governing physical laws in the form of stochastic differential equations (SDEs) using automatic differentiation. In particular, we applied Wasserstein GANs with gradient penalty (WGAN-GP) for its enhanced stability compared to vanilla GANs. We first tested WGAN-GP in approximating Gaussian processes of different correlation lengths based on data realizations collected from simultaneous reads at sparsely placed sensors. We obtained good approximation of the generated stochastic processes to the target ones even if there is a mismatch between the input noise dimensionality and the effective dimensionality of the target stochastic processes. We also studied the overfitting issue for both the discriminator and the generator, and we found that overfitting occurs also in the generator in addition to the discriminator as previously reported. Subsequently, we considered the solution of elliptic SDEs requiring approximations of three stochastic processes, namely the solution, the forcing, and the diffusion coefficient. Here again, we assumed data collected from simultaneous reads at a limited number of sensors for the multiple stochastic processes. Furthermore, three generators were used for the PI-GANs: two of them were feed forward deep neural networks (DNNs), while the other one was the neural network induced by the SDE. For the case where we have one group of data, we employed one feed forward DNN as the discriminator, while for the case of multiple groups of data we employed multiple discriminators in PI-GANs. We solved forward, inverse, and mixed problems without changing the framework of PI-GANs, obtaining both the means and the standard deviations of the stochastic solution and the diffusion coefficient in good agreement with benchmarks. In this work, we have demonstrated the effectiveness of PI-GANs in solving SDEs for about 120 dimensions. In principle, PI-GANs could tackle very high dimensional problems given more sensor data with low-polynomial growth in computational cost.

97 MATHEMATICS AND COMPUTING↗

The effect of wall friction on magnetohydrodynamic generator performance

The effect of wall friction on magnetohydrodynamic generator performance is determined by introduction of a wall friction factor into the one-dimensional generator equations. This addition should be useful in improving generator analysis and determining optimum generator geometry. The curves presented can be used to determine the effects of changes in wall friction and generator performance. Wall friction has an increasing effect on the Mach number increases and a decreasing effect as the pressure drop across the generator increase.

Bishop, A. R.↗

SYMBOD - A computer program for the automatic generation of symbolic equations of motion for systems of hinge-connected rigid bodies

A computer program is described that can automatically generate symbolic equations of motion for systems of hinge-connected rigid bodies with tree topologies. The dynamical formulation underlying the program is outlined, and examples are given to show how a symbolic language is used to code the formulation. The program is applied to generate the equations of motion for a four-body model of the Galileo spacecraft. The resulting equations are shown to be a factor of three faster in execution time than conventional numerical subroutines.

Macala, G. A.↗

Marching grid generation using parabolic partial differential equations

The feasibility of using parabolic partial differential equations for grid generation is examined. Source terms in the form of a linear interpolation between the current grid and the outer boundary are used in generating a grid for a two-dimensional airfoil flow. Grid generation equations are derived by assuming that grid spacings are locally nonuniform on the computational domain. The grid spacing control method is described in detail, and the local orthogonality of the grid lines is discussed. An O-mesh and an H-mesh generated by the described method are shown.

Nakamura, S.↗

Derivation of physical equations for high-speed laser welding using large language models

It is challenging to formulate complex physical phenomena that occur in a manufacturing process, particularly when the available data are limited, rendering conventional data-driven approaches ineffective. This study aims to predict humping onset in high-speed laser welding by introducing a novel framework, namely text-to-equations generative pre-trained transformer (T2EGPT). This method leverages the capabilities of large language models (LLMs), in combination with sparse experimental data and enriched literature data, to derive an interpretable and generalizable equation for predicting humping initiation. By capturing key correlations among physical parameters, T2EGPT generates a compact and dimensionless expression that accurately predicts hump formation. The equation reveals that humping arises from the interplay between inertia-driven backward melt flow and capillary-driven surface stabilization, where inertial forces drive molten metal backward and capillary forces resist surface deformation. Furthermore, compared to traditional data-driven models, T2EGPT demonstrates enhanced predictive accuracy and cross-material transferability. More broadly, this study highlights the potential of LLMs to integrate textual information with data-driven discovery, enabling the extraction of physical laws in data-scarce scientific domains.

36 MATERIALS SCIENCE↗

Symbolic generation of constitutive equations

The use of the symbolic manipulation program MACSYMA for the automatic generation of constitutive equations describing the thermomechanical behavior of complex materials such as metal-matrix composites is demonstrated. Problem-specific algorithms are developed; e.g., for partial differentiation by the chain rule, automatic generation of tree structures, special tensor analysis, and the simplification of expressions. The resulting subprogram package, SDICE, is shown to be fully applicable to both isotropic and anisotropic materials; its potential usefulness as a basis for FEM analyses is indicated.

Tan, H. Q.↗

Univariate Prediction of Hammett Parameters and Select Relative Reaction Rates Using Loewdin Atomic Charges

Loewdin charges from density functional theory calculations were used here to obtain general, univariate linear correlations for the prediction of experimental Hammett parameters and relative reaction rates. While previous studies have established that Hirshfeld and CM5 charges perform strongly as univariate predictors, the near-ubiquitous Loewdin charges have not yet been evaluated. To this end, we assess the predictive capability of Loewdin charges for three chemical systems. First, we show that Loewdin charges outperform Hirshfeld and CM5 charges for Hammett parameter prediction. Second, we see that Loewdin charges generally perform comparably to Hirshfeld charges for predicting the relative rates of olefin cleavage by photoexcited nitroarenes. The single case of poor correlation, between relative rates and the Loewdin charges on nitrogen sites, is ameliorated when considering the net charge on the NO 2 group. Third, we show that Loewdin, Hirshfeld, and CM5 charges all perform very well for generating correlations for relative reaction rates for C–H activation of 9-(4-X-phenyl)-9H-fluorene substrates by a transition metal catalyst. The equations generated throughout the study enable the prediction of Hammett parameters and relative reaction rates. Finally, these tools can accelerate synthetic and experimental studies by enabling the in silico prediction of uncharacterized chemical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Response Surface Modeling Tolerance and Inference Error Risk Specifications: Proposed Industry Standards

This paper reviews the derivation of an equation for scaling response surface modeling experiments. The equation represents the smallest number of data points required to fit a linear regression polynomial so as to achieve certain specified model adequacy criteria. Specific criteria are proposed which simplify an otherwise rather complex equation, generating a practical rule of thumb for the minimum volume of data required to adequately fit a polynomial with a specified number of terms in the model. This equation and the simplified rule of thumb it produces can be applied to minimize the cost of wind tunnel testing.

DeLoach, Richard↗

Numerical solution of the Navier-Stokes equations for blunt nosed bodies in supersonic flows

A time dependent, two dimensional Navier-Stokes code employing the method of body fitted coordinate technique was developed for supersonic flows past blunt bodies of arbitrary shapes. The bow shock ahead of the body is obtained as part of the solution, viz., by shock capturing. A first attempt at mesh refinement in the shock region was made by using the forcing function in the coordinate generating equations as a linear function of the density gradients. The technique displaces a few lines from the neighboring region into the shock region. Numerical calculations for Mach numbers 2 and 4.6 and Reynolds numbers from 320 to 10,000 were performed for a circular cylinder with and without a fairing. Results of Mach number 4.6 and Reynolds number 10,000 for an isothermal wall temperature of 556 K are presented in detail.

Warsi, Z. U. A.↗

Challenging Practices of Algebraic Battery Life Models through Statistical Validation and Model Identification via Machine-Learning

Various modeling techniques are used to predict the capacity fade of Li-ion batteries. Algebraic reduced-order models, which are inherently interpretable and computationally fast, are ideal for use in battery controllers, technoeconomic models, and multi-objective optimizations. For Li-ion batteries with graphite anodes, solid-electrolyte-interphase (SEI) growth on the graphite surface dominates fade. This fade is often modeled using physically informed equations, such as square-root of time for predicting solvent-diffusion limited SEI growth, and Arrhenius and Tafel-like equations predicting the temperature and state-of-charge rate dependencies. In some cases, completely empirical relationships are proposed. However, statistical validation is rarely conducted to evaluate model optimality, and only a handful of possible models are usually investigated. This article demonstrates a novel procedure for automatically identifying reduced-order degradation models from millions of algorithmically generated equations via bi-level optimization and symbolic regression. Identified models are statistically validated using cross-validation, sensitivity analysis, and uncertainty quantification via bootstrapping. On a LiFePO 4 /Graphite cell calendar aging data set, automatically identified models utilizing square-root, power law, stretched exponential, and sigmoidal functions result in greater accuracy and lower uncertainty than models identified by human experts, and demonstrate that previously known physical relationships can be empirically "rediscovered" using machine learning.

25 ENERGY STORAGE↗

Elliptic grid generation with orthogonality and spacing control on an arbitrary number of boundaries

A procedure for the generation of two and quasi-three-dimensional grids with control of orthogonality and spacing with respect to any and/or all boundaries of the domain is described. The elliptic grid generation equations of Thompson are solved implicitly. Control of the grid behavior is achieved through the introduction of forcing functions terms in the manner of Steger and Sorenson or in a modification of the method of Hilgenstock. The forcing function terms are constructed on the boundaries and propagated into the domain using transfinite Lagrangian bivariate interpolation. An anisotropic transfinite stencil is introduced and is shown to produce excellent grid behavior particularly in the vicinity of corner singularities. Emphasis is placed on the generation of viscous grids and the method is shown to be suited for use in the generation of grids for internal as well as external flow geometries. A FORTRAN program named PISCES has been written to implement the algorithm. Examples of grids for internal and external flows are given that highlight the characteristics and behavior of the algorithm.

White, J. A.↗

Elementary framework for cold field emission: Incorporation of quantum-confinement effects

Although the Fowler-Nordheim (FN) equation serves as the foundation of cold field emission theory, it may not be suitable for predicting the emitted current density (ECD) from emitters with a quantum-confined electron supply. This work presents an analytical framework for treating cold field emission from metals that includes the effects of a quantum-confined electron supply. Within the framework, quantum confinement in emitters is classified into transverse and normal quantum confinement based on the orientation of the confinement relative to the emission direction. The framework is used to generate equations predicting the ECD from rectangular and cylindrical emitter geometries comprised of electron supplies of reduced dimensionality. Transverse quantum confinement of the electron supply leads to a reduction in the total ECD as transverse emitter dimensions decrease and normal quantum confinement results in an oscillatory ECD as a function of the normal quantum well width. Incorporating a geometry-dependent field enhancement factor into the model reveals an optimal transverse well width for which quantum confinement of the electron supply and field enhancement equally affect the ECD and a maximum total ECD for the emitter geometry at a given applied field is obtained. As a result, the FN equation over-predicts the ECD from emitters with transverse dimensions under approximately 5 nm, and in those cases, geometry-specific ECD equations incorporating quantum-confinement effects should be employed instead.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

User's manual for the HYPGEN hyperbolic grid generator and the HGUI graphical user interface

The HYPGEN program is used to generate a 3-D volume grid over a user-supplied single-block surface grid. This is accomplished by solving the 3-D hyperbolic grid generation equations consisting of two orthogonality relations and one cell volume constraint. In this user manual, the required input files and parameters and output files are described. Guidelines on how to select the input parameters are given. Illustrated examples are provided showing a variety of topologies and geometries that can be treated. HYPGEN can be used in stand-alone mode as a batch program or it can be called from within a graphical user interface HGUI that runs on Silicon Graphics workstations. This user manual provides a description of the menus, buttons, sliders, and typein fields in HGUI for users to enter the parameters needed to run HYPGEN. Instructions are given on how to configure the interface to allow HYPGEN to run either locally or on a faster remote machine through the use of shell scripts on UNIX operating systems. The volume grid generated is copied back to the local machine for visualization using a built-in hook to PLOT3D.

Chan, William M.↗

Entropy generation method to quantify thermal comfort

The present paper presents a thermodynamic approach to assess the quality of human-thermal environment interaction and quantify thermal comfort. The approach involves development of entropy generation term by applying second law of thermodynamics to the combined human-environment system. The entropy generation term combines both human thermal physiological responses and thermal environmental variables to provide an objective measure of thermal comfort. The original concepts and definitions form the basis for establishing the mathematical relationship between thermal comfort and entropy generation term. As a result of logic and deterministic approach, an Objective Thermal Comfort Index (OTCI) is defined and established as a function of entropy generation. In order to verify the entropy-based thermal comfort model, human thermal physiological responses due to changes in ambient conditions are simulated using a well established and validated human thermal model developed at the Institute of Environmental Research of Kansas State University (KSU). The finite element based KSU human thermal computer model is being utilized as a "Computational Environmental Chamber" to conduct series of simulations to examine the human thermal responses to different environmental conditions. The output from the simulation, which include human thermal responses and input data consisting of environmental conditions are fed into the thermal comfort model. Continuous monitoring of thermal comfort in comfortable and extreme environmental conditions is demonstrated. The Objective Thermal Comfort values obtained from the entropy-based model are validated against regression based Predicted Mean Vote (PMV) values. Using the corresponding air temperatures and vapor pressures that were used in the computer simulation in the regression equation generates the PMV values. The preliminary results indicate that the OTCI and PMV values correlate well under ideal conditions. However, an experimental study is needed in the future to fully establish the validity of the OTCI formula and the model. One of the practical applications of this index is that could it be integrated in thermal control systems to develop human-centered environmental control systems for potential use in aircraft, mass transit vehicles, intelligent building systems, and space vehicles.

Models, Biological↗

Approximating the trajectory attractor of the 3D Navier-Stokes system using various α-models of fluid dynamics

We study the limit as α→0+ of the long-time dynamics for various approximate α-models of a viscous incompressible fluid and their connection with the trajectory attractor of the exact 3D Navier-Stokes system. The α-models under consideration are divided into two classes depending on the orthogonality properties of the nonlinear terms of the equations generating every particular α-model. We show that the attractors of α-models of class I have stronger properties of attraction for their trajectories than the attractors of α-models of class II. We prove that for both classes the bounded families of trajectories of the α-models considered here converge in the corresponding weak topology to the trajectory attractor A{sub 0} of the exact 3D Navier-Stokes system as time t tends to infinity. Furthermore, we establish that the trajectory attractor A{sub α} of every α-model converges in the same topology to the attractor A{sub 0} as α→0+. We construct the minimal limits A{sub min}⊆A{sub 0} of the trajectory attractors A{sub α} for all α-models as α→0+. We prove that every such set A{sub min} is a compact connected component of the trajectory attractor A{sub 0}, and all the A{sub min} are strictly invariant under the action of the translation semigroup.Bibliography: 39 titles.

97 MATHEMATICS AND COMPUTING↗

Herbicide, fertilization, and planting density effects on intensively managed loblolly pine early stand development

Production forestry in the southeast US has been partially transitioned to intensively managed short rotations (~10 years), in which multiple silvicultural interventions are performed during forest development. Understanding the responses to silvicultural practices and continued refinement of site-specific recommendations is critical to sustainably maximize forest production. We evaluated the effects of silvicultural practices (herbicide, fertilization, and planting density) on growth, stand homogeneity, and above- and belowground biomass accumulation and partitioning of loblolly pine (Pinus taeda) throughout early stand development (age 5 years) in the southeastern US. Five treatments with eight replications each were tested: no herbicide and no fertilization (C); herbicide only (H); herbicide and half-reduced fertilization rate (R); herbicide and full fertilization (F); and increased stand density (60+ %; 1346 vs. 2152 trees per hectare) with herbicide and full fertilization rate (D). Allometric equations generated from destructive harvests were applied to annual diameter measurements to estimate plot-level biomass and allocation. Herbicide was crucial to promote stand uniformity and increase yield (~600+ % stem biomass compared with C at age 5). Aboveground biomass was similar in R and F treatments, which was ~25% higher than in H at age 5. Increasing planting density along with multiple herbicide and fertilizer applications yielded higher biomass without compromising individual tree size (diameter and height). There was little effect of silviculture practices on allocation patterns. Our results parallel what was found for fertilization with herbicide from a number of loblolly stands under similar conditions and indicate a ~28% volume gain with fertilization during early stand development. Similarly, our results were consistent with other studies implementing similar differences in planting density and suggest a ~26% volume gain through early stand development with an initial 60% increase in planting density. Furthermore, our study helps to understand complex relationships between production and silvicultural practices during early stand development and demonstrates that silvicultural prescriptions can be optimized to increase sustainability of production forestry

59 BASIC BIOLOGICAL SCIENCES↗