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213 records · Page 12

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Hamiltonian formulations for perturbed dissipationless plasma equations

The Hamiltonian formulations for the perturbed Vlasov–Maxwell equations and the perturbed ideal magnetohydrodynamics (MHD) equations are expressed in terms of the perturbation derivative ∂ F / ∂ ϵ ≡ [ F , S ] of an arbitrary functional F [ ψ ] of the Vlasov–Maxwell fields ψ = ( f , E , B ) or the ideal MHD fields ψ = ( ρ , u , s , B ) , which are assumed to depend continuously on the (dimensionless) perturbation parameter ϵ . In this study, [ , ] denotes the functional Poisson bracket for each set of plasma equations and the perturbation action functional S is said to generate dynamically accessible perturbations of the plasma fields. The new Hamiltonian perturbation formulation introduces a framework for functional perturbation methods in plasma physics and highlights the crucial roles played by polarization and magnetization in Vlasov–Maxwell and ideal MHD perturbation theories. One application considered in this paper is a formulation of plasma stability that guarantees dynamical accessibility and leads to a natural generalization to higher-order perturbation theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Time evolution of ML-MCTDH wavefunctions. I. Gauge conditions, basis functions, and singularities

We derive a family of equations-of-motion (EOMs) for evolving multi-layer multiconfiguration time-dependent Hartree (ML-MCTDH) wavefunctions that, unlike the standard ML-MCTDH EOMs, never require the evaluation of the inverse of singular matrices. All members of this family of EOMs make use of alternative static gauge conditions than those used for standard ML-MCTDH. These alternative conditions result in an expansion of the wavefunction in terms of a set of potentially arbitrary orthonormal functions, rather than in terms of a set of non-orthonormal and potentially linearly dependent functions, as is the case for standard ML-MCTDH. We show that the EOMs used in the projector splitting integrator (PSI) and the invariant EOM approaches are two special cases of this family obtained from different choices for the dynamic gauge condition, with the invariant EOMs making use of a choice that introduces potentially unbounded operators into the EOMs. As a consequence, all arguments for the existence of parallelizable integration schemes for the invariant EOMs can also be applied to the PSI EOMs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Verification of neoclassical toroidal viscosity induced by energetic particles

The thermal particles contributed neoclassical toroidal viscosity (NTV) have been successfully developed and explored by many impressive works such as the study by Shaing et al. [Phys. Plasmas 10, 1443 (2003)] and Zhu et al. [Phys. Rev. Lett. 96, 225002 (2006)]. In this work, the scope of the NTV study is extended to explore the contribution of energetic particles (EPs) through both theory and experiments. In theory, the existence of the NTV torque due to the precessional drift resonance of trapped EPs is identified based on the equivalence between the NTV torque and the perturbed drift kinetic energy [J. Park, Phys. Plasmas 18, 110702 (2011)]. Toroidal modeling with the Magneto Resistive Spectrum - drift Kinetic code [Y. Liu, Phys. Plasmas 15, 112503 (2008)], based on this equivalence, indicates that trapped EPs can contribute a significant amount of the NTV torque. Meanwhile, this work also focuses on developing the dedicated DIII-D experiments in the presence of the n = 2 external magnetic perturbation to verify the EP induced NTV (EP-NTV) by measuring the change of the NTV torque while varying the angle and the voltage of the neutral beam injection. However, the developed experiments have been unable to create conditions necessary to clearly demonstrate the presence of EP-NTV. The main challenge is separating the resonant and non-resonant momentum transport responses in the plasma. Finally, the experience, gained from this study, can help the further exploration of EP-NTV in the future experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems

Here, we present a Lagrangian-based implementation of Ehrenfest dynamics with nuclear–electronic orbital (NEO) theory and real-time time-dependent density functional theory for extended periodic systems. In addition to a quantum dynamical treatment of electrons and selected protons, this approach allows for the classical movement of all other nuclei to be taken into account in simulations of condensed matter systems. Furthermore, we introduce a Lagrangian formulation for the traveling proton basis approach and propose new schemes to enhance its application for extended periodic systems. Validation and proof-of-principle applications are performed on electronically excited proton transfer in the o-hydroxybenzaldehyde molecule with explicit solvating water molecules. These simulations demonstrate the importance of solvation dynamics and a quantum treatment of transferring protons. This work broadens the applicability of the NEO Ehrenfest dynamics approach for studying complex heterogeneous systems in the condensed phase.

Calculus of variations↗

DOE OSTI2021

Connections between nonlocal operators: From vector calculus identities to a fractional Helmholtz decomposition

Nonlocal vector calculus, which is based on the nonlocal forms of gradient, divergence, and Laplace operators in multiple dimensions, has shown promising applications in fields such as hydrology, mechanics, and image processing. In this work, we study the analytical underpinnings of these operators. We rigorously treat compositions of nonlocal operators, prove nonlocal vector calculus identities, and connect weighted and unweighted variational frameworks. We combine these results to obtain a weighted fractional Helmholtz decomposition which is valid for sufficiently smooth vector fields. Our approach identifies the function spaces in which the stated identities and decompositions hold, providing a rigorous foundation to the nonlocal vector calculus identities that can serve as tools for nonlocal modeling in higher dimensions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

A Unified Theory of Fractional Nonlocal and Weighted Nonlocal Vector Calculus

Nonlocal and fractional-order models capture effects that classical partial differential equations cannot describe; for this reason, they are suitable for a broad class of engineering and scientific applications that feature multiscale or anomalous behavior. This has driven a desire for a vector calculus that includes nonlocal and fractional gradient, divergence and Laplacian type operators, as well as tools such as Green's identities, to model subsurface transport, turbulence, and conservation laws. In the literature, several independent definitions and theories of nonlocal and fractional vector calculus have been put forward. Some have been studied rigorously and in depth, while others have been introduced ad-hoc for specific applications. The goal of this work is to provide foundations for a unified vector calculus by (1) consolidating fractional vector calculus as a special case of nonlocal vector calculus, (2) relating unweighted and weighted Laplacian operators by introducing an equivalence kernel, and (3) proving a form of Green's identity to unify the corresponding variational frameworks for the resulting nonlocal volume-constrained problems. The proposed framework goes beyond the analysis of nonlocal equations by supporting new model discovery, establishing theory and interpretation for a broad class of operators, and providing useful analogues of standard tools from the classical vector calculus.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Towards a Unified theory of Fractional and Nonlocal Vector Calculus

Nonlocal and fractional-order models capture effects that classical partial differential equations cannot describe; for this reason, they are suitable for a broad class of engineering and scientific applications that feature multiscale or anomalous behavior. This has driven a desire for a vector calculus that includes nonlocal and fractional gradient, divergence and Laplacian type operators, as well as tools such as Green’s identities, to model subsurface transport, turbulence, and conservation laws. In the literature, several independent definitions and theories of nonlocal and fractional vector calculus have been put forward. Some have been studied rigorously and in depth, while others have been introduced ad-hoc for specific applications. The goal of this work is to provide foundations for a unified vector calculus by (1) consolidating fractional vector calculus as a special case of nonlocal vector calculus, (2) relating unweighted and weighted Laplacian operators by introducing an equivalence kernel, and (3) proving a form of Green’s identity to unify the corresponding variational frameworks for the resulting nonlocal volume-constrained problems. Here, the proposed framework goes beyond the analysis of nonlocal equations by supporting new model discovery, establishing theory and interpretation for a broad class of operators, and providing useful analogues of standard tools from the classical vector calculus.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Geometric electrostatic particle-in-cell algorithm on unstructured meshes

We present a geometric particle-in-cell (PIC) algorithm on unstructured meshes for studying electrostatic perturbations with frequency lower than electron gyrofrequency in magnetized plasmas. In this method, ions are treated as fully kinetic particles and electrons are described by the adiabatic response. The PIC method is derived from a discrete variational principle on unstructured meshes. To preserve the geometric structure of the system, the discrete variational principle requires that the electric field is interpolated using Whitney 1-forms, the charge is deposited using Whitney 0-forms and the electric field is computed by discrete exterior calculus. The algorithm has been applied to study the ion Bernstein wave (IBW) in two-dimensional magnetized plasmas. The simulated dispersion relations of the IBW in a rectangular region agree well with theoretical results. In a two-dimensional circular region with fixed boundary condition, the spectrum and eigenmode structures of the IBW are obtained from simulations. We compare the energy conservation property of the geometric PIC algorithm derived from the discrete variational principle with that of previous PIC methods on unstructured meshes. The comparison shows that the new PIC algorithm significantly improves the energy conservation property.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1991

A comparison of two closely-related approaches to aerodynamic design optimization

Two related methods for aerodynamic design optimization are compared. The methods, called the implicit gradient approach and the variational (or optimal control) approach, both attempt to obtain gradients necessary for numerical optimization at a cost significantly less than that of the usual black-box approach that employs finite difference gradients. While the two methods are seemingly quite different, they are shown to differ (essentially) in that the order of discretizing the continuous problem, and of applying calculus, is interchanged. Under certain circumstances, the two methods turn out to be identical. We explore the relationship between these methods by applying them to a model problem for duct flow that has many features in common with transonic flow over an airfoil. We find that the gradients computed by the variational method can sometimes be sufficiently inaccurate to cause the optimization to fail.

Shubin, G. R.↗

NASA NTRS1993

DUKSUP - A high thrust trajectory optimization code

Designing missions on expendable launch vehicles (ELV's) includes determining launch vehicle performance capabilities and trajectory characteristics over the range of mission requirements for suitable launch periods. This analysis depends on mathematically modeling both the launch vehicle and the mission requirements. Generally the result is a mathematical model that is described by an objective function to be optimized subject to an assortment of algebraic and dynamic constraints. About 30 years ago, engineers at Lewis Research Center (LeRC) undertook the task of creating a software code to solve 3D versions of such problems and based it on the Calculus of Variations/Optimal Control Theory. One of these codes, DUKSUP, has been in use at LeRC for nearly 25 years, during which time it has played an important role in a large number of studies and actual missions. Currently it is being used by about 12 analysts in the Center's Advanced Space Analysis Office (ASAO) to do mission design, feasibility studies, corroboration of contractor data and planning studies for the Space Exploration Initiative (SEI). Today, it is one of the few ELV mission analysis production codes based on variational methods. With future ELV missions in mind, ASAO is presently creating a new code to upgrade DUKSUP's capabilities.

Balkanyi, Leslie R.↗

NASA NTRS2010

Modeling the Impact of Space Suit Components and Anthropometry on the Center of Mass of a Seated Crewmember

The Crew Impact Attenuation System (CIAS) is the energy-absorbing strut concept that dampens Orion Crew Exploration Vehicle (CEV) landing loads to levels sustainable by the crew. Significant COM variations across suited crew configurations would amplify the inertial effects of the pallet and potentially create unacceptable crew loading during launch and landing. The objective of this study was to obtain data needed for dynamic simulation models by quantifying the effects of posture, suit components, and the expected range of anthropometry on the COM of a seated individual. Several elements are required for the COM calculation of a suited human in a seated position: anthropometry, body segment mass, suit component mass, suit component location relative to the body, and joint angles defining the seated posture. Three-dimensional (3D) human body models, suit mass data, and vector calculus were utilized to compute the COM positions for 12 boundary manikins in two different seated postures. The analysis focused on two objectives: (1) quantify how much the wholebody COM varied from the smallest to largest subject and (2) quantify the effects of the suit components on the overall COM in each seat configuration. The location of the anterior-posterior COM varied across all boundary manikins by about 7 cm, and the vertical COM varied by approximately 9 to 10 cm. The mediolateral COM varied by 1.2 cm from the midline sagittal plane for both seat configurations. The suit components caused an anterior shift of the total COM by approximately 2 cm and a shift to the right along the mediolateral axis of 0.4 cm for both seat configurations. When the seat configuration was in the standard posture the suited vertical COM shifted inferiorly by as much as 1 cm, whereas in the CEV posture the vertical COM had no appreciable change. These general differences were due to the high proportion of suit mass located in the boots and lower legs and their corresponding distance from the body COM, as well as to the prevalence of suit components on the right side of the body.

Blackledge, Christopher↗

NASA NTRS1975

The geometric approach to sets of ordinary differential equations and Hamiltonian dynamics

The calculus of differential forms is used to discuss the local integration theory of a general set of autonomous first order ordinary differential equations. Geometrically, such a set is a vector field V in the space of dependent variables. Integration consists of seeking associated geometric structures invariant along V: scalar fields, forms, vectors, and integrals over subspaces. It is shown that to any field V can be associated a Hamiltonian structure of forms if, when dealing with an odd number of dependent variables, an arbitrary equation of constraint is also added. Families of integral invariants are an immediate consequence. Poisson brackets are isomorphic to Lie products of associated CT-generating vector fields. Hamilton's variational principle follows from the fact that the maximal regular integral manifolds of a closed set of forms must include the characteristics of the set.

Estabrook, F. B.↗

NASA NTRS1991

On the Power of Abstract Interpretation

Increasingly sophisticated applications of static analysis place increased burden on the reliability of the analysis techniques. Often, the failure of the analysis technique to detect some information my mean that the time or space complexity of the generated code would be altered. Thus, it is important to precisely characterize the power of static analysis techniques. We follow the approach of Selur et. al. who studied the power of strictness analysis techniques. Their result can be summarized by saying 'strictness analysis is perfect up to variations in constants.' In other words, strictness analysis is as good as it could be, short of actually distinguishing between concrete values. We use this approach to characterize a broad class of analysis techniques based on abstract interpretation including, but not limited to, strictness analysis. For the first-order case, we consider abstract interpretations where the abstract domain for data values is totally ordered. This condition is satisfied by Mycroft's strictness analysis that of Sekar et. al. and Wadler's analysis of list-strictness. For such abstract interpretations, we show that the analysis is complete in the sense that, short of actually distinguishing between concrete values with the same abstraction, it gives the best possible information. We further generalize these results to typed lambda calculus with pairs and higher-order functions. Note that products and function spaces over totally ordered domains are not totally ordered. In fact, the notion of completeness used in the first-order case fails if product domains or function spaces are added. We formulate a weaker notion of completeness based on observability of values. Two values (including pairs and functions) are considered indistinguishable if their observable components are indistinguishable. We show that abstract interpretation of typed lambda calculus programs is complete up to this notion of indistinguishability. We use denotationally-oriented arguments instead of the detailed operational arguments used by Selur et. al.. Hence, our proofs are much simpler. They should be useful for further future improvements.

Reddy, Uday S.↗

DOE OSTI2020

Energy and momentum conservation in the Euler–Poincaré formulation of local Vlasov–Maxwell-type systems

The action principle by Low for the classic Vlasov–Maxwell system contains a mix of Eulerian and Lagrangian variables. This renders the Noether analysis of reparametrization symmetries inconvenient, especially since the well-known energy- and momentum-conservation laws for the system are expressed in terms of Eulerian variables only. While an Euler–Poincaré formulation of Vlasov–Maxwell-type systems, effectively starting with Low's action and using constrained variations for the Eulerian description of particle motion, has been known for a while Cendra et al, it is hard to come by a documented derivation of the related energy- and momentum-conservation laws in the spirit of the Euler–Poincaré machinery. To our knowledge only one such derivation exists in the literature so far, dealing with the so-called guiding-center Vlasov–Darwin system Sugama et al. The present exposition discusses a generic class of local Vlasov–Maxwell-type systems, with a conscious choice of adopting the language of differential geometry to exploit the Euler–Poincaré framework to its full extent. After reviewing the transition from a Lagrangian picture to an Eulerian one, we demonstrate how symmetries generated by isometries in space lead to conservation laws for linear- and angular-momentum density and how symmetry by time translation produces a conservation law for energy density. Here, we also discuss what happens if no symmetries exist. Finally, two explicit examples will be given—the classic Vlasov–Maxwell and the drift-kinetic Vlasov–Maxwell—and the results expressed in the language of regular vector calculus for familiarity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Fractional Laplacian spectral approach to turbulence in a dusty plasma monolayer

This work presents an analytical investigation of anomalous diffusion and turbulence in a dusty plasma monolayer, where energy transport across scales leads to the spontaneous formation of spatially disordered patterns. Many-body simulations of 10,000-particle dusty plasma monolayers are used to demonstrate how the global dynamics depend on the statistical properties of the dust assembly for realistic laboratory conditions. We find that disorder due to variations in the dust size distribution and charge-driven nonlocal interactions resulting in anomalous dust diffusion are key factors for the onset of instabilities. The resulting dynamics exhibit features of inertial turbulence over slightly more than half a decade of scales proportional or smaller than the Debye shielding length. These processes are examined analytically using a recently developed Fractional Laplacian Spectral (FLS) technique, which identifies the active energy channels as a function of scale, disorder concentration, and features of the nonlocal-interactions. The predictions from the theoretical (spectral) analysis demonstrate agreement with the results from the many-body (kinetic) simulations, thus providing a powerful tool for the study of active turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗