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DOE OSTI2025

The Method of Finite Averages

The Method of Finite Averages (MoFA) is a rigorous multiscale modeling methodology for efficiently modeling multi-physical phenomena in heterogeneous porous media. The code developed in this project aims to perform the numerical calculations required to formulate, implement, and verify MoFA models for Earth and Energy systems (i.e., model verification refers to performing fully-resolved simulations of the systems and comparing their results to those of the models). In general, MoFA transforms partial differential equations (PDEs) describing the fine-scale physics of a system into coupled ordinary differential equations (ODEs)---in time---that describe the coarse-scale---or "average"---physical behaviors of the system. This transformation significantly expedites system simulation, as the coarse-scale ODEs involve vastly fewer degrees of freedom than the fine-scale PDEs. The code developed under this project will allow users to 1.) generate system geometries and numerical meshes, 2.) solve the PDE and ODE systems required for MoFA model formulation and implementation, 3.) solve the PDE systems required to obtain fully-resolved simulation results for model verification, and 4.) compare and plot results (e.g., the model and fully-resolved simulation solutions, the error between the solutions, etc.).

Pietrzyk, KyleM [Lawrence Livermore National Labor↗

DOE OSTI2025

Exploring the energy landscape of RBMs: reciprocal space insights into bosons, hierarchical learning and symmetry breaking

Deep generative models have become ubiquitous due to their ability to learn and sample from complex distributions. Despite the proliferation of various frameworks, the relationships among these models remain largely unexplored, a gap that hinders the development of a unified theory of AI learning. In this work, we address two central challenges: clarifying the connections between different deep generative models and deepening our understanding of their learning mechanisms. We focus on Restricted Boltzmann Machines (RBMs), a class of generative models known for their universal approximation capabilities for discrete distributions. By introducing a reciprocal space formulation for RBMs, we reveal a connection between these models, diffusion processes, and systems of coupled bosons. Our analysis shows that at initialization, the RBM operates at a saddle point, where the local curvature is determined by the singular values of the weight matrix, whose distribution follows the Marc̆enko-Pastur law and exhibits rotational symmetry. During training, this rotational symmetry is broken due to hierarchical learning, where different degrees of freedom progressively capture features at multiple levels of abstraction. This leads to a symmetry breaking in the energy landscape, reminiscent of Landau’s theory. This symmetry breaking in the energy landscape is characterized by the singular values and the weight matrix eigenvector matrix. We derive the corresponding free energy in a mean-field approximation. We show that in the limit of infinite size RBM, the reciprocal variables are Gaussian distributed. Our findings indicate that in this regime, there will be some modes for which the diffusion process will not converge to the Boltzmann distribution. To illustrate our results, we trained replicas of RBMs with different hidden layer sizes using the MNIST dataset. Our findings not only bridge the gap between disparate generative frameworks but also shed light on the fundamental processes underpinning learning in deep generative models.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2002

Combinatorial Multiobjective Optimization Using Genetic Algorithms

The research proposed in this document investigated multiobjective optimization approaches based upon the Genetic Algorithm (GA). Several versions of the GA have been adopted for multiobjective design, but, prior to this research, there had not been significant comparisons of the most popular strategies. The research effort first generalized the two-branch tournament genetic algorithm in to an N-branch genetic algorithm, then the N-branch GA was compared with a version of the popular Multi-Objective Genetic Algorithm (MOGA). Because the genetic algorithm is well suited to combinatorial (mixed discrete / continuous) optimization problems, the GA can be used in the conceptual phase of design to combine selection (discrete variable) and sizing (continuous variable) tasks. Using a multiobjective formulation for the design of a 50-passenger aircraft to meet the competing objectives of minimizing takeoff gross weight and minimizing trip time, the GA generated a range of tradeoff designs that illustrate which aircraft features change from a low-weight, slow trip-time aircraft design to a heavy-weight, short trip-time aircraft design. Given the objective formulation and analysis methods used, the results of this study identify where turboprop-powered aircraft and turbofan-powered aircraft become more desirable for the 50 seat passenger application. This aircraft design application also begins to suggest how a combinatorial multiobjective optimization technique could be used to assist in the design of morphing aircraft.

Crossley, William A.↗

NASA NTRS1999

Stochastic Modeling of Airlines' Scheduled Services Revenue

Airlines' revenue generated from scheduled services account for the major share in the total revenue. As such, predicting airlines' total scheduled services revenue is of great importance both to the governments (in case of national airlines) and private airlines. This importance stems from the need to formulate future airline strategic management policies, determine government subsidy levels, and formulate governmental air transportation policies. The prediction of the airlines' total scheduled services revenue is dealt with in this paper. Four key components of airline's scheduled services are considered. These include revenues generated from passenger, cargo, mail, and excess baggage. By addressing the revenue generated from each schedule service separately, air transportation planners and designers are able to enhance their ability to formulate specific strategies for each component. Estimation results clearly indicate that the four stochastic processes (scheduled services components) are represented by different Box-Jenkins ARIMA models. The results demonstrate the appropriateness of the developed models and their ability to provide air transportation planners with future information vital to the planning and design processes.

Hamed, M. M.↗

NASA NTRS1999

Stochastic Modeling of Airlines' Scheduled Services Revenue

Airlines' revenue generated from scheduled services account for the major share in the total revenue. As such, predicting airlines' total scheduled services revenue is of great importance both to the governments (in case of national airlines) and private airlines. This importance stems from the need to formulate future airline strategic management policies, determine government subsidy levels, and formulate governmental air transportation policies. The prediction of the airlines' total scheduled services revenue is dealt with in this paper. Four key components of airline's scheduled services are considered. These include revenues generated from passenger, cargo, mail, and excess baggage. By addressing the revenue generated from each schedule service separately, air transportation planners and designers arc able to enhance their ability to formulate specific strategies for each component. Estimation results clearly indicate that the four stochastic processes (scheduled services components) are represented by different Box-Jenkins ARIMA models. The results demonstrate the appropriateness of the developed models and their ability to provide air transportation planners with future information vital to the planning and design processes.

Hamed, M. M.↗

DOE OSTI2024

Rapid curing dynamics of PEG-thiol-ene resins allow facile 3D bioprinting and in-air cell-laden microgel fabrication

Thiol-norbornene photoclick hydrogels are highly efficient in tissue engineering applications due to their fast gelation, cytocompatibility, and tunability. In this work, we utilized the advantageous features of polyethylene glycol (PEG)-thiol-ene resins to enable fabrication of complex and heterogeneous tissue scaffolds using 3D bioprinting and in-air drop encapsulation techniques. We demonstrated that photoclickable PEG-thiol-ene resins could be tuned by varying the ratio of PEG-dithiol to PEG norbornene to generate a wide range of mechanical stiffness (0.5–12 kPa) and swelling ratios. Importantly, all formulations maintained a constant, rapid gelation time (<0.5 s). We used this resin in biological projection microstereolithography (BioPµSL) to print complex structures with geometric fidelity and demonstrated biocompatibility by printing cell-laden microgrids. Moreover, the rapid gelling kinetics of this resin permitted high-throughput fabrication of tunable, cell-laden microgels in air using a biological in-air drop encapsulation apparatus (BioIDEA). We demonstrated that these microgels could support cell viability and be assembled into a gradient structure. This PEG-thiol-ene resin, along with BioPµSL and BioIDEA technology, will allow rapid fabrication of complex and heterogeneous tissues that mimic native tissues with cellular and mechanical gradients. The engineered tissue scaffolds with a controlled microscale porosity could be utilized in applications including gradient tissue engineering, biosensing, and in vitro tissue models.

36 MATERIALS SCIENCE↗

NASA NTRS1977

General purpose computer program for interacting supersonic configurations. User's manual

The input data required to execute the computer program ISCON are described. The program generates a numerical procedure for the determination of unsteady aerodynamic forces on arbitrarily interacting wings and tails in supersonic flow. A velocity potential gradient method is used. Constant Mach number is assumed throughout the flow field. Lifting surfaces are represented by trapezoidal elements which can be generated automatically by the program. The wake field is represented by rectangular strip elements. The formulation is reviewed as well as input overview and input format. Instruction on how to use ISCON, a sample problem, and the restart feature are discussed. Program size limitations, computer program flow, and error messages are also included along with a description of the SS31 program used to compute the coefficients of surface spline.

Crill, W.↗

NASA NTRS1980

An investigation of dynamic-analysis methods for variable-geometry structures

Selected space structure configurations were reviewed in order to define dynamic analysis problems associated with variable geometry. The dynamics of a beam being constructed from a flexible base and the relocation of the completed beam by rotating the remote manipulator system about the shoulder joint were selected. Equations of motion were formulated in physical coordinates for both of these problems, and FORTRAN programs were developed to generate solutions by numerically integrating the equations. These solutions served as a standard of comparison to gauge the accuracy of approximate solution techniques that were developed and studied. Good control was achieved in both problems. Unstable control system coupling with the system flexibility did not occur. An approximate method was developed for each problem to enable the analyst to investigate variable geometry effects during a short time span using standard fixed geometry programs such as NASTRAN. The average angle and average length techniques are discussed.

Austin, F.↗

NASA NTRS1982

The evolution of the mesoscale environment of severe local storms Preliminary modeling results

A mesoscale model is employed for predicting two severe weather events observed during thy 1979 SESAME field programs. Particular attention is given to the development and decay of a low-level jet, to the formation of a mesoscale convective complex (MCC) and its modification of lower- and upper-level circulation, to the formation of mesoscale regions of heavy precipitation, the intensification of surface warm and cold fronts, the formation of drylines, dynamic coupling of upper- and low-level jets, the formation of a mountain wave, and the formation and maintenance of capping inversions. A summary of the physics and parameters of a tornado outbreak and a heavy precipitation event are given for a simple bulk-PBL formulation with no heating. A ten-layer model was demonstrated to be sufficient for generating and maintaining distinct vertical gradients of temperature, moisture, and wind across low-level inversions.

Anthes, R. A.↗

NASA NTRS1983

Inverting a dispersive scene's side-scanned image

Consideration is given to the problem of using a remotely sensed, side-scanned image of a time-variant scene, which changes according to a dispersion relation, to estimate the structure at a given moment. Additive thermal noise is neglected in the models considered in the formal treatment. It is shown that the dispersion relation is normalized by the scanning velocity, as is the group scanning velocity component. An inversion operation is defined for noise-free images generated by SAR. The method is extended to the inversion of noisy imagery, and a formulation is defined for spectral density estimation. Finally, the methods for a radar system are used for the case of sonar.

Harger, R. O.↗

NASA NTRS1985

Lorentz-covariant dissipative Lagrangian systems

The concept of dissipative Hamiltonian system is converted to Lorentz-covariant form, with evolution generated jointly by two scalar functionals, the Lagrangian action and the global entropy. A bracket formulation yields the local covariant laws of energy-momentum conservation and of entropy production. The formalism is illustrated by a derivation of the covariant Landau kinetic equation.

Kaufman, A. N.↗

NASA NTRS1986

The effect of heavy ions on the formation and structure of cometary bow shocks

A hybrid simulation model is used to investigate the effects of heavy cometary ions on the formation and structure of a cometary bow shock. The calculations are carried out over various Mach numbers and heavy ion velocity distribution functions. The model is based on previous formulations for phenomena in the solar wind and at the earth's bow shock. The generation of the shock is described in terms of particles injected from one side of the simulation field and reflected from the other end of the field, i.e., a solid wall boundary model. This technique permits the steep buildup of the ion density near the cometary nucleus, followed by coupling of the incident and reflected ion streams to produce a shock. It is shown that at low Mach numbers (up to Mach 2) the shock is transitory and periodically formed by protons, then destroyed by heavy ions (O+). Slightly higher Mach numbers lead to a true stationary shock. An examination of coupling effects between the solar wind and the heavy ions at low Mach numbers by using the Rankine-Hugoniot relations reveals that the ions and the solar wind protons cannot be treated as a single fluid calculating the shock characteristics.

Omidi, N.↗

NASA NTRS1991

A general multiblock Euler code for propulsion integration. Volume 3: User guide for the Euler code

This manual explains the procedures for using the general multiblock Euler (GMBE) code developed under NASA contract NAS1-18703. The code was developed for the aerodynamic analysis of geometrically complex configurations in either free air or wind tunnel environments (vol. 1). The complete flow field is divided into a number of topologically simple blocks within each of which surface fitted grids and efficient flow solution algorithms can easily be constructed. The multiblock field grid is generated with the BCON procedure described in volume 2. The GMBE utilizes a finite volume formulation with an explicit time stepping scheme to solve the Euler equations. A multiblock version of the multigrid method was developed to accelerate the convergence of the calculations. This user guide provides information on the GMBE code, including input data preparations with sample input files and a sample Unix script for program execution in the UNICOS environment.

Chen, H. C.↗

NASA NTRS1992

Enhancements to the GRIDGEN structured grid generation system for internal and external flow applications

GRIDGEN is a government domain software package for interactive generation of multiple block grids around general configurations. Though it has been freely available since 1989, it has not been widely embraced by the internal flow community due to a misconception that it was designed for external flow use only. In reality GRIDGEN has always worked for internal flow applications, and GRIDGEN ongoing enhancements are increasing the quality of and efficiency with which grids for external and internal flow problems may be constructed. The software consists of four codes used to perform the four steps of the grid generation process. GRIDBLOCK is first used to decompose the flow domain into a collection of component blocks and then to establish interblock connections and flow solver boundary conditions. GRIDGEN2D is then used to generate surface grids on the outer shell of each component block. GRIDGEN3D generates grid points on the interior of each block, and finally GRIDVUE3D is used to inspect the resulting multiple block grid. Three of these codes (GRIDBLOCK, GRIDGEN2D, and GRIDVUE3D) are highly interactive and graphical in nature, and currently run on Silicon Graphics, Inc., and IBM RS/6000 workstations. The lone batch code (GRIDGEN3D) may be run on any of several Unix based platforms. Surface grid generation in GRIDGEN2D is being improved with the addition of higher order surface definitions (NURBS and parametric surfaces input in IGES format and bicubic surfaces input in PATRAN Neutral File format) and double precision mathematics. In addition, two types of automation have been added to GRIDGEN2D that reduce the learning curve slope for new users and eliminate work for experienced users. Volume grid generation using GRIDGEN3D has been improved via the addition of an advanced hybrid control function formulation that provides both orthogonality and clustering control at the block faces and clustering control on the block interior.

Steinbrenner, John P.↗

NASA NTRS1993

Three-dimensional unstructured grid Euler method applied to turbine blades

Flow through a turbine annular cascade is calculated using a three-dimensional Euler method based on unstructured tetrahedral meshes. The equations are integrated in time using an explicit Runge-Kutta time-stepping scheme. The inviscid flux terms are discretized using a cell-centered finite-volume formulation with upwind flux-difference splitting. The tetrahedral meshes around the turbine blade are generated using an advancing-front technique with forced geometric periodicity between the blades. Good agreement is obtained between the present calculation and the experiment for both surface pressure distribution and flow behavior in the passage between the blades, demonstrating the capability of the present methodology for turbomachinery flow applications.

Kwon, Oh J.↗

NASA NTRS1993

Q-Markov covariance equivalent realization and its application to flexible structure identification

The Q-Markov covariance equivalent realization algorithm is applied to NASA's Minimast structure to identify state-space models for the purpose of designing closed-loop controllers, and laboratory test results are shown for the identification and for the closed-loop performance. The paper also presents for the first time a deterministic formulation of covariance parameters from a pulse response, a stochastic formulation of Markov parameters from a white-noise response, and a simple Q-Markov covariance equivalent realization formulation. This requires only pulse laboratory tests or only white-noise laboratory tests to generate Q-Markov covariance equivalent realizations.

Liu, Ketao↗

NASA NTRS1993

Comparison of symbolic and numerical integration methods for an assumed-stress hybrid shell element

Hybrid shell elements have long been regarded with reserve by the commercial finite element developers despite the high degree of reliability and accuracy associated with such formulations. The fundamental reason is the inherent higher computational cost of the hybrid approach as compared to the displacement-based formulations. However, a noteworthy factor in favor of hybrid elements is that numerical integration to generate element matrices can be entirely avoided by the use of symbolic integration. In this paper, the use of the symbolic computational approach is presented for an assumed-stress hybrid shell element with drilling degrees of freedom and the significant time savings achieved is demonstrated through an example.

Rengarajan, Govind↗

NASA NTRS1994

Numerical Study of the Wave-Vector Dependence of the Electron Interband Impact Ionization Rate in Bulk GaAs

Ensemble Monte Carlo calculations of the electron interband impact ionization rate in bulk GaAs are presented using a wave-vector (k)-dependent formulation of the ionization transition rate. The transition rate is evaluated through use of numerically generated wavefunctions determined via a k-p calculation within the first two conduction bonds at numerous points within a finely spaced three-dimensional grid in k space. The transition rate is determined to be greatest for states within the second conduction band. It is found that the interband impact ionization transition rate in bulk GaAs is best characterized as having an exceedingly "soft" threshold energy. As a consequence, the dead space, defined as the distance over which the ionization probability for a given carrier is assumed to be zero, is estimated to be-much larger than that estimated using a "harder" threshold. These results have importance in the design of multiquantum-well avalanche photodiodes.

Wang, Yang↗