SEARCH · Engineering Papers

Results for “Formal 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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,477 records · Page 82

All sources NASA NTRS DOE OSTI

NASA NTRS1981

Determination of magnetic helicity in the solar wind and implications for cosmic ray propagation

Magnetic helicity (Hm) is the mean value of the correlation between a turbulent magnetic field and the magnetic vector potential. A technique is described for determining Hm and its 'reduced' spectrum from the two point magnetic correlation matrix. The application of the derived formalism to solar wind magnetic fluctuations is discussed, taking into account cases for which only single point measurements are available. The application procedure employs the usual 'frozen in approximation' approach. The considered method is applied to an analysis of several periods of Voyager 2 interplanetary magnetometer data near 2.8 AU. During these periods the correlation length, or energy containing length, was found to be approximately 3 x 10 to the 11th cm

Matthaeus, W. M.↗

DOE OSTI2016

Meson Resonances from Lattice QCD

There has been recent, significant, advances in the determination of the meson spectrum of QCD. Current efforts have focused on the development and application of finite-volume formalisms that allow for the determination of scattering amplitudes as well as resonance behavior in coupled channel systems. I will review some of these recent developments, and demonstrate the viability of the method in meson systems.

Edwards, Robert G.↗

DOE OSTI2016

Meson resonances on the lattice

Edwards, Robert G.↗

DOE OSTI2017

A Comparison of Social and Economic Engagement Approaches: Lessons from Recent International Radioactive Waste Projects - 17478

The central challenge of any proposed radioactive waste management project is securing not only regulatory permissions, but also a social license to operate. 'Social license' generally refers to a community's acceptance or approval of a specific project. Oftentimes development of social license occurs outside of, or in parallel to, formal regulatory or permitting processes, and requires sustained commitment and proposed economic benefits to communities by proponents to acquire, build, and sustain social capital in the context of trust-based relationships. Historically, radioactive waste management projects have defaulted to demagoguery and 'siege warfare' modes of thinking and action by both proponents and opponents. While radioactive waste management projects are always inherently controversial, it is only recently that project owners and developers have experimented with alternative forms of social engagement outside of, or in addition to, formal regulatory processes. This paper compares and contrasts recent projects in Canada, Australia, the United Kingdom, and the United States, by examining distinct approaches to social engagement, with a focus on new methods that have been used to promote mutual understanding, foster rational debate, build confidence, promote economic development, and secure social license. The projects examined span the life-cycle of radioactive waste management development, from ones that are purely aspirational, to ones in early planning stages, to ones seeking a host community, to one that is focused on sustainment of existing social license. Several notable lessons and innovative practices are identified that will be of interest to radioactive waste management project owners and developers, non-governmental organizations, potential host communities, and political decision-makers for such projects. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1985

Prediction of stable crack growth and instability using the V sub R-curve method

A methodology is presented for predicting stable crack growth and instability of cracked structural components from results of laboratory tests on metallic materials under plane-stress conditions. The methodology is based on the displacement V sub R at the tip of a stably tearing crack. Basically, the V sub R-curve method is a resistance curve approach, such as K sub R and J sub R, except that the 'crack drive' is written in terms of crack-tip displacement instead of K or J. The relationship between crack-tip-opening displacement, crack length, specimen type, and tensile properties is derived from the Dugdale model for the cracked structure of interest. This report describes the laboratory test procedure and calculations used to obtain the V sub R resistance curve from fracture tests of compact or of middle-crack tension (formally center-crack) specimens. The analysis procedure used to predict stable crack growth and instability of any through-the-thickness crack configuration made of the same material and thickness, and tested under the same environmental conditions, is presented. The various limitations of the present V sub R curve method are given. Four example calculations and predictions are shown.

Newman, J. C., Jr.↗

NASA NTRS2007

Symbolic LTL Compilation for Model Checking: Extended Abstract

In Linear Temporal Logic (LTL) model checking, we check LTL formulas representing desired behaviors against a formal model of the system designed to exhibit these behaviors. To accomplish this task, the LTL formulas must be translated into automata [21]. We focus on LTL compilation by investigating LTL satisfiability checking via a reduction to model checking. Having shown that symbolic LTL compilation algorithms are superior to explicit automata construction algorithms for this task [16], we concentrate here on seeking a better symbolic algorithm.We present experimental data comparing algorithmic variations such as normal forms, encoding methods, and variable ordering and examine their effects on performance metrics including processing time and scalability. Safety critical systems, such as air traffic control, life support systems, hazardous environment controls, and automotive control systems, pervade our daily lives, yet testing and simulation alone cannot adequately verify their reliability [3]. Model checking is a promising approach to formal verification for safety critical systems which involves creating a formal mathematical model of the system and translating desired safety properties into a formal specification for this model. The complement of the specification is then checked against the system model. When the model does not satisfy the specification, model-checking tools accompany this negative answer with a counterexample, which points to an inconsistency between the system and the desired behaviors and aids debugging efforts.

Rozier, Kristin Y.↗

DOE OSTI2021

Large-momentum effective theory

Since the parton model was introduced by Feynman more than 50 years ago, much has been learned about the partonic structure of the proton through a large body of high-energy experimental data and dedicated global fits. However, limited progress has been made in calculating partonic observables such as the parton distribution function (PDFs) from the fundamental theory of strong interactions, quantum chromodynamics (QCD). Recently some advocated for a formalism, large-momentum effective theory (LaMET), through which one can extract parton physics from the properties of the proton traveling at a moderate boost factor such as γ ~ 2 – 5 . The key observation behind this approach is that Lorentz symmetry allows the standard formalism of partons in terms of light-front operators to be replaced by an equivalent one with large-momentum states and time-independent operators of a universality class. With LaMET, the PDFs, generalized PDFs or generalized parton distributions, transverse-momentum-dependent PDFs, and light-front wave functions can all be extracted in principle from lattice simulations of QCD (or other nonperturbative methods) through standard effective field theory matching and running. Future lattice QCD calculations with exascale computational facilities could help one to understand the experimental data related to the hadronic structure, including those from the upcoming electron-ion colliders dedicated to exploring the partonic landscape of the proton. In this work, the progress made in the past few years in the development of the LaMET formalism and its applications is reviewed, with an emphasis on a demonstration of its effectiveness from initial lattice QCD simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2014

Covariant formulation of spatially non-symmetric kinetic equilibria in magnetized astrophysical plasmas

Astrophysical plasmas in the surrounding of compact objects and subject to intense gravitational and electromagnetic fields are believed to give rise to relativistic regimes. Theoretical and observational evidences suggest that magnetized plasmas of this type are collisionless and can persist for long times (e.g., with respect to a distant observer, coordinate, time), while exhibiting geometrical structures characterized by the absence of well-defined spatial symmetries. In this paper, the problem is posed whether such configurations can correspond to some kind of kinetic equilibrium. The issue is addressed from a theoretical perspective in the framework of a covariant Vlasov statistical description, which relies on the method of invariants. For this purpose, a systematic covariant variational formulation of gyrokinetic theory is developed, which holds without requiring any symmetry condition on the background fields. As a result, an asymptotic representation of the relativistic particle magnetic moment is obtained from its formal exact solution, in terms of a suitably defined invariant series expansion parameter (perturbative representation). On such a basis, it is shown that spatially non-symmetric kinetic equilibria can actually be determined, an example being provided by Gaussian-like distributions. As an application, the physical mechanisms related to the occurrence of a non-vanishing equilibrium fluid 4-flow are investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2016

Machine Learning Technologies and Their Applications for Science and Engineering Domains Workshop -- Summary Report

The fields of machine learning and big data analytics have made significant advances in recent years, which has created an environment where cross-fertilization of methods and collaborations can achieve previously unattainable outcomes. The Comprehensive Digital Transformation (CDT) Machine Learning and Big Data Analytics team planned a workshop at NASA Langley in August 2016 to unite leading experts the field of machine learning and NASA scientists and engineers. The primary goal for this workshop was to assess the state-of-the-art in this field, introduce these leading experts to the aerospace and science subject matter experts, and develop opportunities for collaboration. The workshop was held over a three day-period with lectures from 15 leading experts followed by significant interactive discussions. This report provides an overview of the 15 invited lectures and a summary of the key discussion topics that arose during both formal and informal discussion sections. Four key workshop themes were identified after the closure of the workshop and are also highlighted in the report. Furthermore, several workshop attendees provided their feedback on how they are already utilizing machine learning algorithms to advance their research, new methods they learned about during the workshop, and collaboration opportunities they identified during the workshop.

Ambur, Manjula↗

NASA NTRS2011

Markov Chain Monte Carlo Bayesian Learning for Neural Networks

Conventional training methods for neural networks involve starting al a random location in the solution space of the network weights, navigating an error hyper surface to reach a minimum, and sometime stochastic based techniques (e.g., genetic algorithms) to avoid entrapment in a local minimum. It is further typically necessary to preprocess the data (e.g., normalization) to keep the training algorithm on course. Conversely, Bayesian based learning is an epistemological approach concerned with formally updating the plausibility of competing candidate hypotheses thereby obtaining a posterior distribution for the network weights conditioned on the available data and a prior distribution. In this paper, we developed a powerful methodology for estimating the full residual uncertainty in network weights and therefore network predictions by using a modified Jeffery's prior combined with a Metropolis Markov Chain Monte Carlo method.

Goodrich, Michael S.↗

DOE OSTI2015

Coupling a nano-particle with isothermal fluctuating hydrodynamics: Coarse-graining from microscopic to mesoscopic dynamics

We derive a coarse-grained description of the dynamics of a nanoparticle immersed in an isothermal simple fluid by performing a systematic coarse graining of the underlying microscopic dynamics. As coarse-grained or relevant variables, we select the position of the nanoparticle and the total mass and momentum density field of the fluid, which are locally conserved slow variables because they are defined to include the contribution of the nanoparticle. The theory of coarse graining based on the Zwanzing projection operator leads us to a system of stochastic ordinary differential equations that are closed in the relevant variables. We demonstrate that our discrete coarse-grained equations are consistent with a Petrov-Galerkin finite-element discretization of a system of formal stochastic partial differential equations which resemble previously used phenomenological models based on fluctuating hydrodynamics. Key to this connection between our “bottom-up” and previous “top-down” approaches is the use of the same dual orthogonal set of linear basis functions familiar from finite element methods (FEMs), both as a way to coarse-grain the microscopic degrees of freedom and as a way to discretize the equations of fluctuating hydrodynamics. Another key ingredient is the use of a “linear for spiky” weak approximation which replaces microscopic “fields” with a linear FE interpolant inside expectation values. For the irreversible or dissipative dynamics, we approximate the constrained Green-Kubo expressions for the dissipation coefficients with their equilibrium averages. Under suitable approximations, we obtain closed approximations of the coarse-grained dynamics in a manner which gives them a clear physical interpretation and provides explicit microscopic expressions for all of the coefficients appearing in the closure. Our work leads to a model for dilute nanocolloidal suspensions that can be simulated effectively using feasibly short molecular dynamics simulations as input to a FEM fluctuating hydrodynamic solver.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Streaming Generalized Canonical Polyadic Tensor Decompositions

In this paper, we develop a method which we call OnlineGCP for computing the Generalized Canonical Polyadic (GCP) tensor decomposition of streaming data. GCP differs from traditional canonical polyadic (CP) tensor decompositions as it allows for arbitrary objective functions which the CP model attempts to minimize. This approach can provide better fits and more interpretable models when the observed tensor data is strongly non-Gaussian. In the streaming case, tensor data is gradually observed over time and the algorithm must incrementally update a GCP factorization with limited access to prior data. In this work, we extend the GCP formalism to the streaming context by deriving a GCP optimization problem to be solved as new tensor data is observed, formulate a tunable history term to balance reconstruction of recently observed data with data observed in the past, develop a scalable solution strategy based on segregated solves using stochastic gradient descent methods, describe a software implementation that provides performance and portability to contemporary CPU and GPU architectures and integrates with Matlab for enhanced usability, and demonstrate the utility and performance of the approach and software on several synthetic and real tensor data sets.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2002

A Generalised Porosity Formalism for Isotropic and Anisotropic Effective Opacity and Its Effects on X-ray Line Attenuation in Clumped O Star Winds

We present a generalised formalism for treating the porosity-associated reduction in continuum opacity that occurs when individual clumps in a stochastic medium become optically thick. As in previous work, we concentrate on developing bridging laws between the limits of optically thin and thick clumps. We consider geometries resulting in either isotropic or anisotropic effective opacity, and, in addition to an idealised model in which all clumps have the same local overdensity and scale, we also treat an ensemble of clumps with optical depths set by Markovian statistics. This formalism is then applied to the specific case of bound-free absorption of X- rays in hot star winds, a process not directly affected by clumping in the optically thin limit. We find that the Markov model gives surprisingly similar results to those found previously for the single clump model, suggesting that porous opacity is not very sensitive to details of the assumed clump distribution function. Further, an anisotropic effective opacity favours escape of X-rays emitted in the tangential direction (the venetian blind effect), resulting in a bump of higher flux close to line centre as compared to profiles computed from isotropic porosity models. We demonstrate how this characteristic line shape may be used to diagnose the clump geometry, and we confirm previous results that for optically thick clumping to significantly influence X-ray line profiles, very large porosity lengths, defined as the mean free path between clumps, are required. Moreover, we present the first X-ray line profiles computed directly from line-driven instability simulations using a 3-D patch method, and find that porosity effects from such models also are very small. This further supports the view that porosity has, at most, a marginal effect on X-ray line diagnostics in O stars, and therefore that these diagnostics do indeed provide a good clumping insensitive method for deriving O star mass-loss rates.

generalised↗

DOE OSTI2017

Dispersion relation for hadronic light-by-light scattering: two-pion contributions

In our third paper of a series dedicated to a dispersive treatment of the hadronic light-by-light (HLbL) tensor, we derive a partial-wave formulation for two-pion intermediate states in the HLbL contribution to the anomalous magnetic moment of the muon (g - 2) μ , including a detailed discussion of the unitarity relation for arbitrary partial waves. We show that obtaining a final expression free from unphysical helicity partial waves is a subtle issue, which we thoroughly clarify. As a by-product, we obtain a set of sum rules that could be used to constrain future calculations of γ*γ* → ππ. We validate the formalism extensively using the pion-box contribution, defined by two-pion intermediate states with a pion-pole left-hand cut, and demonstrate how the full known result is reproduced when resumming the partial waves. Using dispersive fits to high-statistics data for the pion vector form factor, we provide an evaluation of the full pion box, a$π-box\atop{μ}$ =-15.9(2) × 10 -11 . As an application of the partial-wave formalism, we present a first calculation of ππ-rescattering effects in HLbL scattering, with γ*γ* → ππ helicity partial waves constructed dispersively using ππ phase shifts derived from the inverse-amplitude method. In this way, the isospin-0 part of our calculation can be interpreted as the contribution of the f0(500) to HLbL scattering in (g - 2) μ . We also argue that the contribution due to charged-pion rescattering implements corrections related to the corresponding pion polarizability and show that these are moderate. Our final result for the sum of pion-box contribution and its S-wave rescattering corrections reads a$π-box\atop{μ}$ + a$ππ, π-pole LHC\atop{μ, J=0}$ = -24(1) × 10 -11 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Interactions of two and three mesons including higher partial waves from lattice QCD

We study two- and three-meson systems composed either of pions or kaons at maximal isospin using Monte Carlo simulations of lattice QCD. Utilizing the stochastic LapH method, we are able to determine hundreds of two- and three-particle energy levels, in nine different momentum frames, with high precision. We fit these levels using the relativistic finite-volume formalism based on a generic effective field theory in order to determine the parameters of the two- and three-particle K-matrices. We find that the statistical precision of our spectra is sufficient to probe not only the dominant s-wave interactions, but also those in d waves. In particular, we determine for the first time a term in the three-particle K-matrix that contains two-particle d waves. We use three N f = 2 + 1 CLS ensembles with pion masses of 200, 280, and 340 MeV. This allows us to study the chiral dependence of the scattering observables, and compare to the expectations of chiral perturbation theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Testing quantum gravity through dumb holes

We propose a method to test the effects of quantum fluctuations on black holes by analyzing the effects of thermal fluctuations on dumb holes, the analogs for black holes. The proposal is based on the Jacobson formalism, where the Einstein field equations are viewed as thermodynamical relations, and so the quantum fluctuations are generated from the thermal fluctuations. It is well known that all approaches to quantum gravity generate logarithmic corrections to the entropy of a black hole and the coefficient of this term varies according to the different approaches to the quantum gravity. It is possible to demonstrate that such logarithmic terms are also generated from thermal fluctuations in dumb holes. In this paper, we claim that it is possible to experimentally test such corrections for dumb holes, and also obtain the correct coefficient for them. This fact can then be used to predict the effects of quantum fluctuations on realistic black holes, and so it can also be used, in principle, to experimentally test the different approaches to quantum gravity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Monte Carlo chord length sampling for d-dimensional Markov binary mixtures

The Chord Length Sampling (CLS) algorithm is a powerful Monte Carlo method that models the effects of stochastic media on particle transport by generating on-the-fly the material interfaces seen by the random walkers during their trajectories. This annealed disorder approach, which formally consists of solving the approximate Levermore–Pomraning equations for linear particle transport, enables a considerable speed-up with respect to transport in quenched disorder, where ensemble-averaging of the Boltzmann equation with respect to all possible realizations is needed. However, CLS intrinsically neglects the correlations induced by the spatial disorder, so that the accuracy of the solutions obtained by using this algorithm must be carefully verified with respect to reference solutions based on quenched disorder realizations. When the disorder is described by Markov mixing statistics, such comparisons have been attempted so far only for one-dimensional geometries, of the rod or slab type. In this work we extend these results to Markov media in two-dimensional (extruded) and three-dimensional geometries, by revisiting the classical set of benchmark configurations originally proposed by Adams, Larsen and Pomraning and extended by Brantley. In particular, we examine the discrepancies between CLS and reference solutions for scalar particle flux and transmission/reflection coefficients as a function of the material properties of the benchmark specifications and of the system dimensionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Mechanism of Catechol Oxidation by the Coupled Bicupric Active Site of Tyrosinase: Completion of the Oxygenase/Oxidase Reaction Cycle

Tyrosinase contains a coupled binuclear copper (CBC) active site, which in its bicuprous form (deoxy-Ty) binds O 2 to form a side-on peroxide [Cu(II) 2 O 2 ] 2+ intermediate (oxy-Ty) that performs the regioselective monooxygenation of monophenols to catechols and their subsequent 2e − oxidation to quinones. Previously, we used spectroscopic, kinetic, and computational methods to elucidate the mechanism of the initial steps in the monooxygenation reaction. Herein, we investigated the final step in catecholate formation and provide experimental and computational results elucidating the catechol oxidation reaction, formally a proton-coupled 2e − process. We employed single-turnover stoppedflow absorption to observe the elusive catecholate-Cu(II) 2 OH intermediate via the anaerobic reaction of resting Cu(II) 2 OH Ty (met-Ty) with the catecholate substrate. This intermediate was cryo-trapped and characterized by electron paramagnetic resonance and X-ray absorption spectroscopies. These experimental results were correlated to quantum mechanics/molecular mechanics (QM/MM) and QM calculations to describe the complete catalytic cycle of tyrosinase, revealing that the 2e − oxidation of catechol to quinone involves two steps: (i) coupled 1H + /1e − transfer from the bound monoanionic catecholate to the bridged hydroxide of the met-Ty active site, followed by (ii) the second 1e − transfer. The latter is calculated to be the rate-limiting step in catechol oxidation, confirmed by experimental solvent kinetic isotope effect studies. Our computational data suggest that quinone release from the protein provides the necessary driving force for this reaction. These results establish a detailed description of this oxidase cycle of the tyrosinase mechanism and more broadly provide molecular-level insights into the diverse reactivity of CBC sites in biology.

QM/MM modeling↗