A METHOD OF CALCULATION OF TRANSIENT HEAT CONDUCTION PROCESSES
Mathematical treatment of nonstationary heat- conduction processes by applying finite differences in space and differentials in time
HEAT TRANSFER↗
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Results for “Mathematical methods”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Interferometric reconstruction of three-dimensional high-speed aerodynamic flows
Holographic interferometry can be a very useful diagnostic tool in high-speed aerodynamic testing. During this summer research period, various possible approaches for accurately reconstructing three-dimensional flows from limited data were examined. The approach based on the combination of the following three techniques appears to be promising: (1) Continuous Local Basis Function Method - this computational tomographic method has a power to accurately reconstruct continuous regions and is appropriate from well-conditioned to moderately limited data; (2) Variable Basis Method - this computational tomographic method provides accuracy near discontinuities, i.e., shock regions, and is appropriate from moderately-limited to severely-limited data; and (3) Complementary Field Method - this is a general iterative reconstructor that can be coupled with any computational tomographic techniques. Mathematically, it can be shown that this method can provide better accuracy than the direct reconstruction as in a conventional approach. Our numerical simulation of experiments demonstrated improved reconstruction results even when these techniques were individually tested.
Cha, Soyoung Stephen↗
Variational Bayesian strategies for high-dimensional, stochastic design problems
This paper is concerned with a lesser-studied problem in the context of model-based, uncertainty quantification (UQ), that of optimization/design/control under uncertainty. The solution of such problems is hindered not only by the usual difficulties encountered in UQ tasks (e.g. the high computational cost of each forward simulation, the large number of random variables) but also by the need to solve a nonlinear optimization problem involving large numbers of design variables and potentially constraints. We propose a framework that is suitable for a class of such problems and is based on the idea of recasting them as probabilistic inference tasks. To that end, we propose a Variational Bayesian (VB) formulation and an iterative VB–Expectation-Maximization scheme that is capable of identifying a local maximum as well as a low-dimensional set of directions in the design space, along which, the objective exhibits the largest sensitivity. We demonstrate the validity of the proposed approach in the context of two numerical examples involving thousands of random and design variables. In all cases considered the cost of the computations in terms of calls to the forward model was of the order of 100 or less. The accuracy of the approximations provided is assessed by information-theoretic metrics.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Identifying arbitrary parameter zonation using multiple level set functions
In this paper, we extended the analytical level set method [1, 2] for identifying a piece-wisely heterogeneous (zonation) binary system to the case with an arbitrary number of materials with unknown material properties. In the developed level set approach, starting from an initial guess, the material interfaces are propagated through iterations such that the residuals between the simulated and observed state variables (hydraulic head) is minimized. We derived an expression for the propagation velocity of the interface between any two materials, which is related to the permeability contrast between the materials on two sides of the interface, the sensitivity of the head to permeability, and the head residual. We also formulated an expression for updating the permeability of all materials, which is consistent with the steepest descent of the objective function. The developed approach has been demonstrated through many examples, ranging from totally synthetic cases to a case where the flow conditions are representative of a groundwater contaminant site at the Los Alamos National Laboratory. These examples indicate that the level set method can successfully identify zonation structures, even if the number of materials in the model domain is not exactly known in advance. Although the evolution of the material zonation depends on the initial guess field, inverse modeling runs starting with different initial guesses fields may converge to the similar final zonation structure. These examples also suggest that identifying interfaces of spatially distributed heterogeneities is more important than estimating their permeability values.
97 MATHEMATICS AND COMPUTING↗
The p - and h p -versions of the virtual element method for elliptic eigenvalue problems
Not Available
97 MATHEMATICS AND COMPUTING↗
Efficient proximal subproblem solvers for a nonsmooth trust-region method
In [R. J. Baraldi and D. P. Kouri, Mathematical Programming, (2022), pp. 1-40], we introduced an inexact trust-region algorithm for minimizing the sum of a smooth nonconvex and nonsmooth convex function. The principle expense of this method is in computing a trial iterate that satisfies the so-called fraction of Cauchy decrease condition—a bound that ensures the trial iterate produces sufficient decrease of the subproblem model. In this paper, we expound on various proximal trust-region subproblem solvers that generalize traditional trust-region methods for smooth unconstrained and convex-constrained problems. We introduce a simplified spectral proximal gradient solver, a truncated nonlinear conjugate gradient solver, and a dogleg method. Finally, we compare algorithm performance on examples from data science and PDE-constrained optimization.
97 MATHEMATICS AND COMPUTING↗
Domains on a Sphere: Neutron Scattering, Models, and Mathematical Formalism
Analytical and semi-analytical methods to scattering processes from lipid domains on spherical vesicles can support direct relations between numerical and/or analytical models for interpreting small angle neutron or X-ray scattering from such systems.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Analysis of the Apollo heat shield performance. Volume 1 - Analytical methods
Analysis of Apollo heat shield using mathematical models
Del Casal, E. P.↗
Mathematical circulatory system model
A system and method of modeling a circulatory system including a regulatory mechanism parameter. In one embodiment, a regulatory mechanism parameter in a lumped parameter model is represented as a logistic function. In another embodiment, the circulatory system model includes a compliant vessel, the model having a parameter representing a change in pressure due to contraction of smooth muscles of a wall of the vessel.
Lakin, William D.↗
The method of complex characteristics for transonic airfoil design, with an application to compressors
The use of mathematical models to study physical problems of current interest to aeronautical engineers has been made possible by the development of numerical techniques to compute solutions of the differential equations of transonic aerodynamics. These advances have encouraged the improvement of supercritical wing technology. A method to determined steady, shockless flow of an inviscid, compressible fluid past a cascade of airfoils in the (x,y)-plane is considered, taking into account also the case of an isolated airfoil. The method of complex characteristics solves the equations in the hodograph plane by extending all variables into the complex domain, where the notion of type is no longer significant. Attention is given to the mathematical background, the method of complex characteristics, and numerical calculations.
Bledsoe, M.↗
Balanced truncation-rational Krylov methods for model reduction in large scale dynamical systems
In this paper, we consider the balanced truncation method for model reductions in large-scale linear and time-independent dynamical systems with multi-inputs and multi-outputs. The method is based on the solutions of two large coupled Lyapunov matrix equations when the system is stable or on the computation of stabilizing positive and semi-definite solutions of some continuous-time algebraic Riccati equations when the dynamical system is not stable. Using the rational block Arnoldi, we show how to compute approximate solutions to these large Lyapunov or algebraic Riccati equations. The obtained approximate solutions are given in a factored form and used to build the reduced order model. We give some theoretical results and present numerical examples with some benchmark models.
97 MATHEMATICS AND COMPUTING↗
2016 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop
The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transport and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Determining the Products of Inertia for Small Scale UAVs
Moments of inertia and products of inertia often need to be determined for aircraft. As complex bodies, their mass properties need to be determined experimentally for best accuracy. While several moment of inertia experimental techniques have been developed, there are few to determine the products of inertia. Products of inertia can be easily determined mathematically if the angle between the aircraft x body axis and principal x axis is known. This method finds the principal inclination angle by mathematically correlating the measured moments of inertia about a range of axes of the aircraft. This correlation uses a least squares error minimization of a mathematical model that describes the ellipse of inertia in the aircraft's x-z axes plane. Results from a test conducted on a small scale UAV (Unmanned Aerial Vehicle) at NASA Armstrong Flight Research Center is also presented, which is an example of the intended application of this technique.
mass properties↗
Spherical Indentation and Implementation of S 3 /P for yield stress determination of brittle materials
Here, a mathematically transparent and robust experimental method has been developed to estimate the yield stress of brittle materials through the analysis of depth-sensing spherical indentation. Employing Hertzian contact mechanics, an elastically invariant ratio based on the simple equation S 3 / P = 6RE r 2 , (where S and P are contact stiffness and indentation load, respectively) has been derived that enables more accurate and confident determination of the transition from elastic to inelastic deformation; a transition that the yield stress dictates and represents. Using two diamond spheres with radii of 3.2 and 8.6 μm, the indentation test method and analyses are applied to two vitreous silicates: Corning's HPFS 7980® fused silica and Vitro's Starphire® soda lime silicate. The estimated yield strengths are 8.15 GPa ± 2.5% for the fused silica and 6.1 GPa ± 3.3% for the soda-lime silicate, and both were independent of indenter radius. Verification of this new experimental method is demonstrated with an as-drawn titanium by showing equivalence of measured yield stress by its spherical indentation and that from uniaxial compression testing. This method will enable easier and more confident estimation of yield stress in brittle materials - a property that historically has been elusive to measure for these materials using common laboratory mechanical test methods.
36 MATERIALS SCIENCE↗
Community-Driven Methods for Open and Reproducible Software Tools for Analyzing Datasets from Atom Probe Microscopy
Atom probe tomography, and related methods, probe the three-dimensional architecture of a material. The software tools that microscopists use, and how these tools are connected into workflows, makes a substantial contribution to the accuracy and precision of such a material characterization experiment. Typically, we adapt methods from other communities like mathematics, data science, computational geometry, artificial intelligence, or scientific computing. We also realize that improving on research data management is a challenge when it comes to align with the FAIR data stewardship principles. Faced with this global challenge, we are convinced that collaborating is useful. Here, we report the results and challenges with an inter-laboratory call for developing test cases for several types of atom probe software tools. The results support why defining detailed recipes of software workflows and sharing these recipes is necessary and rewarding: Open source tools and (meta)data exchange can help to make our day-to-day data processing tasks become more efficient, the training of new users and knowledge transfer become easier, and assist us with automated quantification of uncertainties to gain access to substantiated results.
36 MATERIALS SCIENCE↗
Ion Atmosphere of Wormlike Micelles Profiled by Contrast Variation Small-Angle Neutron Scattering
Structural studies of wormlike micelles have so far mostly focused on the conformational properties of surfactant aggregates. The diffuse ionic atmosphere, which has a profound influence on various micellization phenomena such as thermodynamic stability and structural polymorphism, remains largely unexplored experimentally. In this report a strategy of contrast variation small-angle neutron scattering for this crucial structural study is outlined. Underlined by a general criterion established for unbiasedly identifying the length scale relevant to charge association from the spectral evolution, our analytical framework can provide a quantitative description of counterion distribution in a mathematically tractable manner. Overall, our method can be conveniently extended to facilitate structural studies of complex multicomponent systems using contrast variation neutron scattering.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
SU-G-IeP4-02: Application of Changs Attenuation Correction Technique for SPECT Partial Angle Acquisition of Jaszczak Phantom
Purpose: Chang’s mathematical formulation is a common method of attenuation correction applied on reconstructed Jaszczak phantom images. Though Chang’s attenuation correction method has been used for 360° angle acquisition, its applicability for 180° angle acquisition remains a question with one vendor’s camera software producing artifacts. The objective of this work is to ensure that Chang’s attenuation correction technique can be applied for reconstructed Jaszczak phantom images acquired in both 360° and 180° mode. Methods: The Jaszczak phantom filled with 20 mCi of diluted Tc-99m was placed on the patient table of Siemens e.cam™ (n = 2) and Siemens Symbia™ (n = 1) dual head gamma cameras centered both in lateral and axial directions. A total of 3 scans were done at 180° and 2 scans at 360° orbit acquisition modes. Thirty two million counts were acquired for both modes. Reconstruction of the projection data was performed using filtered back projection smoothed with pre reconstruction Butterworth filter (order: 6, cutoff: 0.55). Reconstructed transaxial slices were attenuation corrected by Chang’s attenuation correction technique as implemented in the camera software. Corrections were also done using a modified technique where photon path lengths for all possible attenuation paths through a pixel in the image space were added to estimate the corresponding attenuation factor. The inverse of the attenuation factor was utilized to correct the attenuated pixel counts. Results: Comparable uniformity and noise were observed for 360° acquired phantom images attenuation corrected by the vendor technique (28.3% and 7.9%) and the proposed technique (26.8% and 8.4%). The difference in uniformity for 180° acquisition between the proposed technique (22.6% and 6.8%) and the vendor technique (57.6% and 30.1%) was more substantial. Conclusion: Assessment of attenuation correction performance by phantom uniformity analysis illustrated improved uniformity with the proposed algorithm compared to the camera software.
60 APPLIED LIFE SCIENCES↗
buhito
buhito is a Python library for graph analysis and machine learning. Graphs can represent networks with objects as nodes and their relationships as edges. buhito focuses on graphlet methods that study graphs through enumerating their component subgraphs to enable interpretable and fast models of complex systems. The package provides tools for different algorithmic designs for computing, analyzing, and applying graphlets to research problems such as machine learning, data compression, and anomaly detection in graph-structured data. A central feature is performing decomposition data analysis on graphs for machine learning models. Implemented in Python and built upon open-source scientific libraries such as NetworkX, NumPy, and SciPy, buhito provides high-performance methods for researchers exploring the mathematical and computational foundations of graphlet analysis applicable to systems of different sizes.
Pimonova, Yulia↗