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At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Model averaging approaches to data subset selection

Model averaging is a useful and robust method for dealing with model uncertainty in statistical analysis. Often, it is useful to consider data subset selection at the same time, in which model selection criteria are used to compare models across different subsets of the data. Two different criteria have been proposed in the literature for how the data subsets should be weighted. We compare the two criteria closely in a unified treatment based on the Kullback-Leibler divergence and conclude that one of them is subtly flawed and will tend to yield larger uncertainties due to loss of information. Here, analytical and numerical examples are provided.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Hydrodynamic instabilities and heat transfer characteristics in the duct flow of a fluid in the supercritical thermodynamic regime

The behavior of fluids at supercritical thermodynamic conditions is inherently complex due to large variations in thermodynamic and transport properties. Recent numerical and experimental investigations illustrate ongoing interest for these fluids, especially supercritical CO 2 and supercritical water, for a variety of applications. For example, supercritical water reactors (SCWR) operate in this extreme condition of high-pressure and temperature, resulting in highly dynamic flow fields and unexpected heat transfer regimes. The potential heat transfer benefits in this regime are directly associated with the extreme variations in thermodynamic and transport properties, which occur at, and above, the critical point. This work characterizes the hydrodynamic instabilities that arise for fluids at supercritical thermodynamic conditions when buoyancy forces are significant. Two specific configurations are considered, a natural convection cavity flow, and a mixed convection, heated, horizontal channel flow. Natural convection flow in a cavity is a classical configuration with expected behavior below the critical point. This configuration aids in characterizing the effect of the variable properties in the supercritical thermodynamic regime. Further, limited studies in the existing literature have been conducted for low-Reynolds and intermediate-Rayleigh numbers, mixed-convection channel flows for supercritical water, which is the focus of the channel flow configuration. To investigate the thermally driven hydrodynamic instabilities in this regime, a high-order fully-implicit numerical method is used. Such strong variations in thermophysical properties (in particular, density) are difficult to simulate and an altogether compressible framework is needed. Therefore, the compressible Navier-Stokes equations are solved without any additional assumptions. The fully implicit, high-order in space and time, reconstructed discontinuous Galerkin method as implemented within the multi-physics code called ALE3D (Arbitrary Lagrangian and Eulerian in 2D and 3D), developed at Lawrence Livermore National Laboratory (LLNL), is used. This fully implicit, L-stable method accurately captures the compressible nature of the ow in the limit of very low Mach number. It has been widely accepted that above the critical point, only one phase is observed. However, recent research has indicated the existence of the distinct gas-like and liquid-like regions separated by the Widom line, the locus of the maxima of the specific heat. Along the Widom line, density decreases 6-fold, viscosity drops by a factor of 2, while specific heat spikes by an order of magnitude. These variations, specifically in density and viscosity, produce a thick pseudo-interface and flow dynamics behavior akin to film boiling. A pseudo-film at the heated wall of the cavity and the horizontal channel is observed where buoyancy forces induce mixing through the specific configurations. Further the local Rayleigh and Richardson numbers provide maps of the flow field and the buoyancy forces driving the microscopic mixing. In the first chapter, I describe a background of supercritical fluid and the various applications. The second chapter focuses on the mathematical model and numerical method used for simulations, where a description of the equation of state for supercritical water is described. The third chapter focuses on the natural convection cavity with a heated bottom wall. In this cavity a gas-like and a liquid-like flow within the supercritical thermodynamic regime are observed. The fourth chapter focuses on a forced convection, horizontal channel, distinguishing between the gas-like, liquid-like, and mixed flow regimes. Mixed convection flow, with the addition of gravitational forces in the horizontal channel show the influence of variable properties on the hydrodynamic development, heat transfer, and rising instabilities. The last chapter of this research focuses on characterizing the unstable hydrodynamics through time-averaging processes and analysis of the movement of energy through the developing plumes.

42 ENGINEERING↗
NASA NTRS1972

Sunspot analysis and prediction

Evaluation of several procedures that apply rarely used and exotic mathematical functions yields a unique method of application of common trigonometric functions. These functions appear to produce results in the development of a mathematical model capable of describing all available sunspot data.

Source record↗
NASA NTRS1985

A Uniform Subdivision Method for Triangular Bezier Patches

A subdivision method for Bezier triangles is presented that parallels the development of Lane-Riesenfeld for Bezier Curves. The method is developed from the mathematical description of the patch, and the resulting algorithm does not require evaluation of the blending functions. This method subdivides the triangle uniformly so that the lengths of the sides of the subtriangles are uniformly reduced. This method is a member of the class of methods first presented by Goldman, which contain subdivision methods that arise from degenerate subdivision of Bezier tetrahedra. It is shown that a certain method is a natural extension of the Lane-Riesenfeld results for Bezier curves.

Joy, K. I.↗
NASA NTRS2017

Cause and Cure-Deterioration in Accuracy of CFD Simulations with Use of High-Aspect-Ratio Triangular/Tetrahedral Grids

In the multi-dimensional space-time conservation element and solution element16 (CESE) method, triangles and tetrahedral mesh elements turn out to be the most natural building blocks for 2D and 3D spatial grids, respectively. As such, the CESE method is naturally compatible with the simplest 2D and 3D unstructured grids and thus can be easily applied to solve problems with complex geometries. However, because (a) accurate solution of a high-Reynolds number flow field near a solid wall requires that the grid intervals along the direction normal to the wall be much finer than those in a direction parallel to the wall and, as such, the use of grid cells with extremely high aspect ratio (103 to 106) may become mandatory, and (b) unlike quadrilateral hexahedral grids, it is well-known that accuracy of gradient computations involving triangular tetrahedral grids tends to deteriorate rapidly as cell aspect ratio increases. As a result, the use of triangular tetrahedral grid cells near a solid wall has long been deemed impractical by CFD researchers. In view of (a) the critical role played by triangular tetrahedral grids in the CESE development, and (b) the importance of accurate resolution of high-Reynolds number flow field near a solid wall, as will be presented in the main paper, a comprehensive and rigorous mathematical framework that clearly identifies the reasons behind the accuracy deterioration as described above has been developed for the 2D case involving triangular cells. By avoiding the pitfalls identified by the 2D framework, and its 3D extension, it has been shown numerically.

CFD↗
DOE OSTI2026

Small-𝑥 behavior in QCD from maximal entanglement and conformal invariance

Recent evidence suggests that, at small Bjorken 𝑥, QCD evolution drives the proton into a state of maximal entanglement. If the evolution kernel is assumed to be conformally invariant—as is the case for the Balitsky-Fadin-Kuraev-Lipatov equation—we can describe it by a conformal field theory. Moreover, the central charge 𝑐 of the corresponding conformal field theory emerges as the key parameter governing the 𝑥 dependence of both the entanglement entropy and the structure function. Here we apply the exact Bethe ansatz methods to the quantum spin chain dual to Lipatov’s high energy effective action to extract the central charge of the theory, and find that 𝑐 = 1. This implies the ∼𝑥 −1/3 small 𝑥 behavior for the structure function—the prediction that can be tested at the forthcoming Electron-Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Multiresolution convolutional autoencoders

Herein we propose a multi-resolution convolutional autoencoder (MrCAE) architecture that integrates and leverages three highly successful mathematical architectures: (i) multigrid methods, (ii) convolutional autoencoders and (iii) transfer learning. The method provides an adaptive, hierarchical architecture that capitalizes on a progressive training approach for multiscale spatio-temporal data. This framework allows for inputs across multiple scales: starting from a compact (small number of weights) network architecture and low-resolution data, our network progressively deepens and widens itself in a principled manner to encode new information in the higher resolution data based on its current performance of reconstruction. Basic transfer learning techniques are applied to ensure information learned from previous training steps can be rapidly transferred to the larger network. As a result, the network can dynamically capture different scaled features at different depths of the network. The performance gains of this adaptive multiscale architecture are illustrated through a sequence of numerical experiments on synthetic examples and real-world spatial-temporal data.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2003

New Technique of High-Performance Torque Control Developed for Induction Machines

Two forms of high-performance torque control for motor drives have been described in the literature: field orientation control and direct torque control. Field orientation control has been the method of choice for previous NASA electromechanical actuator research efforts with induction motors. Direct torque control has the potential to offer some advantages over field orientation, including ease of implementation and faster response. However, the most common form of direct torque control is not suitable for the highspeed, low-stator-flux linkage induction machines designed for electromechanical actuators with the presently available sample rates of digital control systems (higher sample rates are required). In addition, this form of direct torque control is not suitable for the addition of a high-frequency carrier signal necessary for the "self-sensing" (sensorless) position estimation technique. This technique enables low- and zero-speed position sensorless operation of the machine. Sensorless operation is desirable to reduce the number of necessary feedback signals and transducers, thus improving the reliability and reducing the mass and volume of the system. This research was directed at developing an alternative form of direct torque control known as a "deadbeat," or inverse model, solution. This form uses pulse-width modulation of the voltage applied to the machine, thus reducing the necessary sample and switching frequency for the high-speed NASA motor. In addition, the structure of the deadbeat form allows the addition of the high-frequency carrier signal so that low- and zero-speed sensorless operation is possible. The new deadbeat solution is based on using the stator and rotor flux as state variables. This choice of state variables leads to a simple graphical representation of the solution as the intersection of a constant torque line with a constant stator flux circle. Previous solutions have been expressed only in complex mathematical terms without a method to clearly visualize the solution. The graphical technique allows a more insightful understanding of the operation of the machine under various conditions.

Kenny, Barbara H.↗
DOE OSTI2019

The Oxidation Mechanism of Pure Magnesium Powder Particles: A Mathematical Approach

In this study, the mechanism of nonisothermal oxidation of magnesium powder was determined using a tension analysis, which was performed by mathematical modeling and the finite element method. The results revealed that phase transformation of magnesium hydroxide to magnesium oxide in the oxide layer plays an important role in this process so that formation of magnesium hydroxide in the early stages of oxidation (< 450 °C) leads to the formation of compressive stresses through the oxide layer, and as a result, the beginning of measurable oxidation is delayed. The results obtained by the mathematical model and finite element method were validated by the experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Design and convergence analysis of the conforming virtual element method for polyharmonic problems

In the recent years, there has been a tremendous interest to numerical methods that approximate partial differential equations (PDEs) on computational meshes with arbitrarily-shaped polygonal/polyhedral (polytopal, for short) elements. A nonexhaustive list of such methods include the Mimetic Finite Difference method [4, 9, 21, 24, 28, 33, 35, 62, 64–67], the Polygonal Finite Element Method [68, 73, 74], the polygonal Discontinuous Galerkin Finite Element Methods [5, 7, 8, 10, 13–15, 18, 36, 38, 39, 41, 50], the Hybridizable Discontinuous Galerkin and Hybrid High-Order Methods [46–48, 51], the Gradient Discretization method [49, 53, 54], the Finite Volume Method [52], and the BEM-based FEM [71]. An alternative approach that also proved to be very successful is provided by the Virtual Element method (VEM), which was originally proposed in [19] for the numerical treatment of second-order elliptic problems [43, 44], and readily extended to linear and nonlinear elasticity [22, 25, 56], plate bending problems [37], Cahn-Hilliard equation [3], Stokes equations [2], Laplace-Beltrami equation [55], Darcy-Brinkam equation [76], discrete topology optimization problems [6], fracture networks problems [29], eigenvalue problems [59, 75]. The mixed virtual element formulation was proposed in [20, 34]; the nonconforming Virtual element formulations was proposed for second-order elliptic problems in [16], and later extended to general advection-reaction-diffusion problems, Stokes equation, the biharmonic problems, the iegenvalue problem, and the Schrodinger equation in [11, 30, 42, 45, 58, 80]. The p- and hp-version of the VEM were developed in [26, 27] and efficient multigrid methods for the resulting linear system of equations in [12]. A posteriori error estimates can be found in [40].

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Formally Verified ZTA Requirements for OT/ICS Environments with Isabelle/HOL

The clean energy transformation includes the integration of distributed energy resources with the power grid, which has led to a substantial increase in the complexity of power grids infrastructure and the underlying operational technology environment. Power grids infrastructure represents an operational technology environment that has become a system of systems, integrating heterogeneous devices which are both software-and hardware-intensive; as a result, there are increasing demands to exploit advances in the commodity of software-hardware infrastructures to improve energy systems requirements such as cybersecurity and resilience. In such a setting, system requirements at different levels mix, which leads to vulnerabilities and undesirable outcomes. The use of formal methods to characterize and prove system requirements removes ambiguity, increases automation, and provides high levels of assurance and reliability. In this paper, we contribute a methodology and a framework for the system-level verification of zero trust architecture requirements in operational technology environments. We define a formal specification for the core functionalities of operational technology environments, the corresponding invariants, and security proofs. Of particular note is our modular approach for the formal verification of asynchronous interactions in operational technology environments. The formal specification and the proofs have been mechanized using the interactive theorem proving environment Isabelle/HOL.

formal methods↗
DOE OSTI2015

Construction of Discrete Time Shadow Price

In the paper expected utility from consumption over finite time horizon for discrete time markets with bid and ask prices and strictly concave utility function is considered. The notion of weak shadow price, i.e. an illiquid price, depending on the portfolio, under which the model without bid and ask price is equivalent to the model with bid and ask price is introduced. Existence and the form of weak shadow price is shown. Using weak shadow price usual (called in the paper strong) shadow price is then constructed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Effective Electrostatic Interactions Between Two Overall Neutral Surfaces with Quenched Charge Heterogeneity Over Atomic Length Scale

Using Monte Carlo results as a reference, a classical density functional theory (CDFT) is shown to reliably predict the forces between two heterogeneously charged surfaces immersed in an electrolyte solution, whereas the Poisson–Boltzmann (PB) theory is demonstrated to deteriorate obviously for the same system even if the system parameters considered fall within the validity range of the PB theory in the homogeneously charged surfaces. By applying the tested CDFT, we study the effective electrostatic potential of mean force (EPMF) between two face–face planar and hard surfaces of zero net charge on which positive and negative charges are separated and considered to present as discontinuous spots on the inside edges of the two surfaces. Main conclusions are summarized as follows: (i) strength of the EPMF in the surface charge separation case is very sensitively and positively correlated with the surface charge separation level and valency of the salt ion. Particularly, the charge separation level and the salt ion valency have a synergistic effect, which makes high limit of the EPMF strength in the surface charge separation case significantly go beyond that of the ideal homogeneously charged surface counterpart at average surface charge density similar to the average surface positive or negative charge density in the charge separation case. (ii) The surface charge distribution patterns mainly influence sign of the EPMF: symmetrical and asymmetrical patterns induce repulsive and attractive (at small distances) EPMF, respectively; but with low valency salt ions and low charge separation level the opposite may be the case. With simultaneous presence of both higher valency cation and anion, the EPMF can be repulsive at intermediate distances for asymmetrical patterns. (iii) Salt ion size has a significant impact, which makes the EPMF tend to become more and more repulsive with the ion diameter regardless of the surface charge distribution patterns and the valency of the salt ion; whereas if the 1:1 type electrolyte and the symmetrical patterns are considered, then the opposite may be the case. All of these findings can be explained self-consistently from several perspectives: an excess adsorption of the salt ions (induced by the surface charge separation) serving to raise the osmotic pressure between the plates, configuration fine-tuning in the thinner ion adsorption layer driven by the energy decrease principle, direct Coulombic interactions operating between charged objects on the two face-to-face plates involved, and net charge strength in the ion adsorption layer responsible for the net electrostatic repulsion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Heteronuclear complexation in the system 1-hydroxyethylidenediphosphonic acid—manganese(II)—gadolinium(III) in aqueous solution

pH-Potentiometric method in combination with mathematical modeling was used to study the system manganese(II)—gadolinium(III)—1-hydroxyethylidenediphosphonic acid (HEDP, H{sub 4}L). When both cations simultaneously are present in the solution, the accumulation of heteronuclear forms with the ratio of Gd: Mn: HEDP equal to 1: 1: 1, 1: 1: 2, and 1: 1: 3 was observed already in the strongly acidic pH region, while from homonuclear forms only five complexes were detected in the solution, namely, MnL{sub 2}{sup 6–}, GdH{sub 4}L{sub 2}{sup –}, GdH{sub 2}L{sup +}, KGd{sub 2}HL{sub 2}↓, and K{sub 3}Gd{sub 2}L{sub 2}(OH)↓. It was concluded that heteronuclear complexes are much stronger and replace homonuclear forms in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Three examples of quantum dynamics on the half-line with smooth bouncing

This article is an introductory presentation of the quantization of the half-plane based on affine coherent states (ACS). The half-plane carries a natural affine symmetry, i.e. it is a homogeneous space for the 1d-affine group, and it is viewed as the phase space for the dynamics of a positive physical quantity evolving with time. Its affine symmetry is preserved due to the covariance of this type of quantization. We promote the interest of such a procedure for transforming a classical model into a quantum one, since the singularity at the origin is systematically removed, and the arbitrariness of boundary conditions for the Schrödinger operator can be easily overcome. We explain some important mathematical aspects of the method. Three elementary examples of applications are presented, the quantum breathing of a massive sphere, the quantum smooth bouncing of a charged sphere, and a smooth bouncing of “dust” sphere as a simple model of quantum Newtonian cosmology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Starobinsky inflation and dark energy and dark matter effects from quasicrystal like spacetime structures

The goal of this work on mathematical cosmology and geometric methods in modified gravity theories, MGTs, is to investigate Starobinsky-like inflation scenarios determined by gravitational and scalar field configurations mimicking quasicrystal, QC, like structures. Such spacetime aperiodic QCs are different from those discovered and studied in solid state physics but described by similar geometric methods. We prove that a inhomogeneous and locally anisotropic gravitational and matter field effective QC mixed continuous and discrete “ether” can be modelled by exact cosmological solutions in MGTs and Einstein gravity. The coefficients of corresponding generic off-diagonal metrics and generalized connections depend (in general) on all spacetime coordinates via generating and integration functions and, certain smooth and discrete parameters. Imposing additional nonholonomic constraints, prescribing symmetries for generating functions and solving the boundary conditions for integration functions and constants, we can model various nontrivial torsion QC structures or extract cosmological Levi-Civita configurations with diagonal metrics reproducing de Sitter (inflationary) like and other type homogeneous inflation and acceleration phases. Finally, we speculate how various dark energy and dark matter effects can be modelled by off-diagonal interactions and deformations of a nontrivial QC like gravitational vacuum structure and analogous scalar matter fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗