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At least 1,387 records · Page 77

Space-Time Error Representation and Estimation in Navier-Stokes Calculations

The mathematical framework for a-posteriori error estimation of functionals elucidated by Eriksson et al. [7] and Becker and Rannacher [3] is revisited in a space-time context. Using these theories, a hierarchy of exact and approximate error representation formulas are presented for use in error estimation and mesh adaptivity. Numerical space-time results for simple model problems as well as compressible Navier-Stokes flow at Re = 300 over a 2D circular cylinder are then presented to demonstrate elements of the error representation theory for time-dependent problems.

Barth, Timothy J.↗

Engineering and Scientific Applications: Using MatLab(Registered Trademark) for Data Processing and Visualization

MatLab(R) (MATrix LABoratory) is a numerical computation and simulation tool that is used by thousands Scientists and Engineers in many cou ntries. MatLab does purely numerical calculations, which can be used as a glorified calculator or interpreter programming language; its re al strength is in matrix manipulations. Computer algebra functionalities are achieved within the MatLab environment using "symbolic" toolbo x. This feature is similar to computer algebra programs, provided by Maple or Mathematica to calculate with mathematical equations using s ymbolic operations. MatLab in its interpreter programming language fo rm (command interface) is similar with well known programming languag es such as C/C++, support data structures and cell arrays to define c lasses in object oriented programming. As such, MatLab is equipped with most ofthe essential constructs of a higher programming language. M atLab is packaged with an editor and debugging functionality useful t o perform analysis of large MatLab programs and find errors. We belie ve there are many ways to approach real-world problems; prescribed methods to ensure foregoing solutions are incorporated in design and ana lysis of data processing and visualization can benefit engineers and scientist in gaining wider insight in actual implementation of their perspective experiments. This presentation will focus on data processing and visualizations aspects of engineering and scientific applicati ons. Specifically, it will discuss methods and techniques to perform intermediate-level data processing covering engineering and scientifi c problems. MatLab programming techniques including reading various data files formats to produce customized publication-quality graphics, importing engineering and/or scientific data, organizing data in tabu lar format, exporting data to be used by other software programs such as Microsoft Excel, data presentation and visualization will be discussed. The presentation will emphasize creating practIcal scripts (pro grams) that extend the basic features of MatLab TOPICS mclude (1) Ma trix and vector analysis and manipulations (2) Mathematical functions (3) Symbolic calculations & functions (4) Import/export data files (5) Program lOgic and flow control (6) Writing function and passing parameters (7) Test application programs

Sen, Syamal K.↗

Mathematical model for preventive maintenance scheduling

A model is formulated to describe the effect of the time interval chosen for preventive maintenance upon the frequency of failure and frequency of total maintenance. Trade-offs between these two frequencies are determined by computation of an optimal interval in the case where the failure distribution is known. For unknown distributions, an adaptive statistical technique is developed that converges to an optimal preventive maintenance interval. A numerical illustration is given.

Lorden, G.↗

Introducing a Markov chain-based time calibration procedure for multi-channel particle detectors: application to the SuperFGD and ToF detectors of the T2K experiment

Inter-channel mis-synchronisation can be a limiting factor to the time resolution of high performance timing detectors with multiple readout channels and independent electronics units. In these systems, time calibration methods employed must be able to efficiently correct for minimal mis-synchronisation between channels and achieve the best detector performance. We present an iterative time calibration method based on Markov Chains, suitable for detector systems with multiple readout channels. Starting from correlated hit pairs alone, and without requiring an external reference time measurement, the method solves for fixed per-channel offsets, with precision limited only by the intrinsic single-channel resolution. A mathematical proof that the method is able to find the correct time offsets to be assigned to each detector channel in order to achieve inter-channel synchronisation is given, and it is shown that the number of iterations to reach convergence within the desired precision is controllable with a single parameter. Numerical studies are used to confirm unbiased recovery of true offsets. Finally, the application of the calibration method to the Super Fine-Grained Detector (SuperFGD) and the Time of Flight (TOF) detector at the upgraded T2K near detector (ND280) shows good improvement in overall timing resolution, demonstrating the effectiveness in a real-world scenario and scalability.

calibration and fitting methods↗

Calculated global conditions for the unsteady Euler's flow equations

This paper considers the numerical solution of a fluid dynamical system with time-dependent oscillating boundaries. The problem detailed, a compressible and inviscid flow in a one-dimensional pipe with vibrating ends, is examined to develop techniques needed to solve the more complex unsteady flows in turbomachine cascades. The problem is shown to be mathematically ill-posed but by complementing the governing equations with energy conservation, a unique solution is obtained. An artificial damping term is introduced into the governing equations to improve the performance of the time-marching integration.

Kuzo, D. M.↗

Attitude control with realization of linear error dynamics

An attitude control law is derived to realize linear unforced error dynamics with the attitude error defined in terms of rotation group algebra (rather than vector algebra). Euler parameters are used in the rotational dynamics model because they are globally nonsingular, but only the minimal three Euler parameters are used in the error dynamics model because they have no nonlinear mathematical constraints to prevent the realization of linear error dynamics. The control law is singular only when the attitude error angle is exactly pi rad about any eigenaxis, and a simple intuitive modification at the singularity allows the control law to be used globally. The forced error dynamics are nonlinear but stable. Numerical simulation tests show that the control law performs robustly for both initial attitude acquisition and attitude control.

Paielli, Russell A.↗

Things that go bump in the light - On the optical specification of contact severity

Psychologists are intrigued with the idea that optical variables can specify not only the time until an object impacts an observer but also the severity of the impact. However, the mapping between the optical variables and the kinematic variables has been misstated, erroneously implying that there exist critical values of the optical variables used for locomotion and control. In this commentary, the mathematical relationship between the optical and kinematic variables is reexamined and the erroneous assumptions that have led to the proposal of critical values are shown. Also examined are the empirical data on deceleration to approach to assess whether the proposed optical variables are likely candidates for control strategies. Finally, problems associated with numerical approximations to dynamic systems, particularly when analytic solutions exist, are discussed.

Kaiser, Mary K.↗

Simplified Theory of the Magneto

This paper contains part of the results of ignition investigations being made for the National Advisory Committee for Aeronautics at the Bureau of Standards, and describes a type of circuit which has been found useful for representing the action of high-tension magneto. While this equivalent circuit is relatively simple, and consequently can be used as a basis for deriving definite mathematical formulas for induced voltages and similar quantities, it has been found experimentally to correspond quite closely in its performance with the highly complicated electrical circuits of an actual magneto. In the paper formulas are given for the voltage induced in the secondary under various conditions of operation, and a number of numerical examples are worked out showing the application of the equations to a variety of practical problems.

Silsbee, F B↗

Planetary Defense: Options for Deflection of Near Earth Objects

Several recent near-miss encounters with asteroids and comets have focused attention on the threat of a catastrophic impact with the Earth. This document reviews the historical impact record and current understanding of the number and location of Near Earth Objects (NEO’s) to address their impact probability. Various ongoing projects intended to survey and catalog the NEO population are also reviewed. Details are then given of an MSFC-led study, intended to develop and assess various candidate systems for protection of the Earth against NEO’s. An existing program, used to model the NEO threat, was extensively modified and is presented here. Details of various analytical tools, developed to evaluate the performance of proposed technologies for protection against the NEO threat, are also presented. Trajectory tools, developed to model the outbound path a vehicle would take to intercept or rendezvous with a target asteroid or comet, are described. Also, details are given of a tool that was created to model both the un-deflected inbound path of an NEO as well as the modified, post-deflection, path. The number of possible options available for protection against the NEO threat was too numerous for them to all be addressed within the study; instead, a representative selection were modeled and evaluated. The major output from this work was a novel process by which the relative effectiveness of different threat mitigation concepts can be evaluated during future, more detailed, studies. In addition, several new or modified mathematical models were developed to analyze various proposed protection systems. A summary of the major lessons learned during this study is presented, as are recommendations for future work. It is hoped that this study will serve to raise the level attention about this very real threat and also demonstrate that successful defense is both possible and practicable, provided appropriate steps are taken.

Planets↗

Analytic Solution to the Problem of Aircraft Electric Field Mill Calibration

It is by no means a simple task to retrieve storm electric fields from an aircraft instrumented with electric field mill sensors. The presence of the aircraft distorts the ambient field in a complicated way. Before retrievals of the storm field can be made, the field mill measurement system must be "calibrated". In other words, a relationship between impressed (i.e., ambient) electric field and mill output must be established. If this relationship can be determined, it is mathematically inverted so that ambient field can be inferred from the mill outputs. Previous studies have primarily focused on linear theories where the relationship between ambient field and mill output is described by a "calibration matrix" M. Each element of the matrix describes how a particular component of the ambient field is enhanced by the aircraft. For example the product M(sub ix), E(sub x), is the contribution of the E(sub x) field to the i(th) mill output. Similarly, net aircraft charge (described by a "charge field component" E(sub q)) contributes an amount M(sub iq)E(sub q) to the output of the i(th) sensor. The central difficulty in obtaining M stems from the fact that the impressed field (E(sub x), E(sub y), E(sub z), E(sub q) is not known but is instead estimated. Typically, the aircraft is flown through a series of roll and pitch maneuvers in fair weather, and the values of the fair weather field and aircraft charge are estimated at each point along the aircraft trajectory. These initial estimates are often highly inadequate, but several investigators have improved the estimates by implementing various (ad hoc) iterative methods. Unfortunately, none of the iterative methods guarantee absolute convergence to correct values (i.e., absolute convergence to correct values has not been rigorously proven). In this work, the mathematical problem is solved directly by analytic means. For m mills installed on an arbitrary aircraft, it is shown that it is possible to solve for a single 2m-vector that provides all other needed variables (i.e., the unknown fair weather field, the unknown aircraft charge, and the unknown matrix M). Numerical tests of the solution, effects of measurement errors, and studies of solution non-uniqueness are ongoing as of this writing.

Koshak, William↗

Preprocessing Inconsistent Linear System for a Meaningful Least Squares Solution

Mathematical models of many physical/statistical problems are systems of linear equations. Due to measurement and possible human errors/mistakes in modeling/data, as well as due to certain assumptions to reduce complexity, inconsistency (contradiction) is injected into the model, viz. the linear system. While any inconsistent system irrespective of the degree of inconsistency has always a least-squares solution, one needs to check whether an equation is too much inconsistent or, equivalently too much contradictory. Such an equation will affect/distort the least-squares solution to such an extent that renders it unacceptable/unfit to be used in a real-world application. We propose an algorithm which (i) prunes numerically redundant linear equations from the system as these do not add any new information to the model, (ii) detects contradictory linear equations along with their degree of contradiction (inconsistency index), (iii) removes those equations presumed to be too contradictory, and then (iv) obtain the minimum norm least-squares solution of the acceptably inconsistent reduced linear system. The algorithm presented in Matlab reduces the computational and storage complexities and also improves the accuracy of the solution. It also provides the necessary warning about the existence of too much contradiction in the model. In addition, we suggest a thorough relook into the mathematical modeling to determine the reason why unacceptable contradiction has occurred thus prompting us to make necessary corrections/modifications to the models - both mathematical and, if necessary, physical.

Sen, Syamal K.↗

Preprocessing in Matlab Inconsistent Linear System for a Meaningful Least Squares Solution

Mathematical models of many physical/statistical problems are systems of linear equations~ Due to measurement and possible human errors/mistakes in modeling/data, as well as due to certain assumptions to reduce complexity, inconsistency (contradiction) is injected into the model, viz. the linear system. While any inconsistent system irrespective of the degree of inconsistency has always a least-squares solution, one needs to check whether an equation is too much inconsistent or, equivalently too much contradictory. Such an equation will affect/distort the least-squares solution to such an extent that renders it unacceptable/unfit to be used in a real-world application. We propose an algorithm which (i) prunes numerically redundant linear equations from the system as these do not add any new information to the model, (ii) detects contradictory linear equations along with their degree of contradiction (inconsistency index), (iii) removes those equations presumed to be too contradictory, and then (iv) obtain the . minimum norm least-squares solution of the acceptably inconsistent reduced linear system. The algorithm presented in Matlab reduces the computational and storage complexities and also improves the accuracy of the solution. It also provides the necessary warning about the existence of too much contradiction in the model. In addition, we suggest a thorough relook into the mathematical modeling to determine the reason why unacceptable contradiction has occurred thus prompting us to make necessary corrections/modifications to the models - both mathematical and, if necessary, physical.

Sen, Symal K.↗

Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method

Abstract An interface-modified reproducing kernel particle method (IM-RKPM) is introduced in this work to allow for a direct model construction from image pixels of heterogeneous polycrystalline Li-ion battery microstructures. The interface-modified reproducing kernel (IM-RK) approximation is constructed through scaling of a kernel function by a regularized distance function in conjunction with strategic placement of interface node locations. This leads to RK shape functions with either weak or strong discontinuities across material interfaces, suitable for modeling various interface mechanics. With the placement of a triple junction node and distance-based scaling of kernel functions, the resulting IM-RK shape function also possesses proper discontinuities at the triple junctions. This IM-RK approximation effectively remedies the well-known Gibb’s oscillation in the smooth approximation of discontinuities. Different from the conventional meshfree approaches for interface discontinuities, this IM-RK approach is done without additional degrees of freedom associated with the enrichment functions, and it is formulated with the standard procedures in the RK shape function construction. This work focuses on identifying the accuracy and convergence properties of IM-RKPM for modeling the coupled electro-chemo-mechanical system. A linear patch test is formulated and numerically tested for the electro-chemo-mechanical coupled problem with a Butler–Volmer boundary condition representing the physical conditions in Li-ion battery microstructures. This is followed by verification of the optimal rates of convergence of IM-RKPM for solving the coupled problem with higher order solutions. The image-based modeling of Li-ion battery microstructures in the numerical examples demonstrates the applicability of the proposed method to realistic Li-ion battery materials modeling.

25 ENERGY STORAGE↗

Uniform Subspace Correction Preconditioners for Discontinuous Galerkin Methods with hp-Refinement

In this paper, we develop subspace correction preconditioners for discontinuous Galerkin (DG) discretizations of elliptic problems with hp-refinement. These preconditioners are based on the decomposition of the DG finite element space into a conforming subspace, and a set of small nonconforming edge spaces. The conforming subspace is preconditioned using a matrix-free low-order refined technique, which in this work, we extend to the hp-refinement context using a variational restriction approach. The condition number of the resulting linear system is independent of the granularity of the mesh h, and the degree of the polynomial approximation p. The method is amenable to use with meshes of any degree of irregularity and arbitrary distribution of polynomial degrees. Furthermore, numerical examples are shown on several test cases involving adaptively and randomly refined meshes, using both the symmetric interior penalty method and the second method of Bassi and Rebay (BR2).

97 MATHEMATICS AND COMPUTING↗

Implicit–explicit multirate infinitesimal stage-restart methods

Implicit–Explicit (IMEX) methods are flexible numerical time integration methods which solve an initial-value problem (IVP) that is split into stiff and nonstiff processes with the goal of lower computational costs than a purely implicit or explicit approach. A complementary form of flexible IVP solvers are multirate infinitesimal methods for problems split into fast- and slow-changing dynamics, that solve a multirate IVP by evolving a sequence of “fast” IVPs using any suitably accurate algorithm. This article introduces a new class of high-order implicit–explicit multirate methods that are designed for multirate IVPs in which the slow-changing dynamics are further split in an IMEX fashion. This new class, which we call implicit–explicit multirate infinitesimal stage-restart (IMEX-MRI-SR), both improves upon the previous implicit–explicit multirate infinitesimal generalized-structure additive Runge Kutta (IMEX-MRI-GARK) methods by allowing for far easier creation of new embedded methods, and extends multirate exponential Runge Kutta (MERK) methods by allowing the fast-changing dynamics to be nonlinear and the methods to be implicit. We leverage GARK theory to derive conditions for orders of accuracy up to four, and we provide second- and third-order accurate example methods, which are the first known embedded MRI methods with IMEX structure. We then perform numerical simulations demonstrating convergence rates and computational performance in both fixed-step and adaptive-step settings.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Parallel exponential time differencing methods for geophysical flow simulations

Two ocean models are considered for geophysical flow simulations: the multilayer shallow water equations and the multilayer primitive equations. For the former, we investigate the parallel performance of exponential time differencing (ETD) methods, including exponential Rosenbrock–Euler, ETD2wave, and B-ETD2wave. For the latter, we take advantage of the splitting of barotropic and baroclinic modes and propose a new two-level method in which an ETD method is applied to solve the fast barotropic mode. Furthermore, these methods could improve the computational efficiency of numerical simulations because ETD methods allow for much larger time step sizes than traditional explicit time-stepping techniques that are commonly used in existing computational ocean models. Several standard benchmark tests for ocean modeling are performed and comparison of the numerical results demonstrates a great potential of applying the parallel ETD methods for simulating real-world geophysical flows.

54 ENVIRONMENTAL SCIENCES↗

Coupled Cluster Theory for Nonadiabatic Dynamics: Nuclear Gradients and Nonadiabatic Couplings in Similarity Constrained Coupled Cluster Theory

Coupled cluster theory is one of the most accurate electronic structure methods for predicting ground and excited state chemistry. However, the presence of numerical artifacts at electronic degeneracies, such as complex energies, has made it difficult to apply the method in nonadiabatic dynamics simulations. While it has already been shown that such numerical artifacts can be fully removed by using similarity constrained coupled cluster (SCC) theory [J. Phys. Chem. Lett. 2017, 8(19), 4801–4807], simulating dynamics requires efficient implementations of gradients and nonadiabatic couplings. Here, we present an implementation of nuclear gradients and nonadiabatic derivative couplings at the similarity constrained coupled cluster singles and doubles (SCCSD) level of theory, thereby making possible nonadiabatic dynamics simulations using a coupled cluster theory that provides a correct description of conical intersections between excited states. We present a few numerical examples that show good agreement with literature values and discuss some limitations of the method.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Long-time simulations for fixed input states on quantum hardware

Publicly accessible quantum computers open the exciting possibility of experimental dynamical quantum simulations. While rapidly improving, current devices have short coherence times, restricting the viable circuit depth. Despite these limitations, we demonstrate long-time, high fidelity simulations on current hardware. Specifically, we simulate an XY-model spin chain on Rigetti and IBM quantum computers, maintaining a fidelity over 0.9 for 150 times longer than is possible using the iterated Trotter method. Our simulations use an algorithm we call fixed state Variational Fast Forwarding (fsVFF). Recent work has shown an approximate diagonalization of a short time evolution unitary allows a fixed-depth simulation. fsVFF substantially reduces the required resources by only diagonalizing the energy subspace spanned by the initial state, rather than over the total Hilbert space. We further demonstrate the viability of fsVFF through large numerical simulations, and provide an analysis of the noise resilience and scaling of simulation errors.

97 MATHEMATICS AND COMPUTING↗