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At least 1,297 records · Page 72

HIRS-AMTS satellite sounding system test - Theoretical and empirical vertical resolving power

The present investigation is concerned with the vertical resolving power of satellite-borne temperature sounding instruments. Information is presented on the capabilities of the High Resolution Infrared Radiation Sounder (HIRS) and a proposed sounding instrument called the Advanced Moisture and Temperature Sounder (AMTS). Two quite different methods for assessing the vertical resolving power of satellite sounders are discussed. The first is the theoretical method of Conrath (1972) which was patterned after the work of Backus and Gilbert (1968) The Backus-Gilbert-Conrath (BGC) approach includes a formalism for deriving a retrieval algorithm for optimizing the vertical resolving power. However, a retrieval algorithm constructed in the BGC optimal fashion is not necessarily optimal as far as actual temperature retrievals are concerned. Thus, an independent criterion for vertical resolving power is discussed. The criterion is based on actual retrievals of signal structure in the temperature field.

Thompson, O. E.↗

Restricted access processor - An application of computer security technology

This paper describes a security guard device that is currently being developed by Computer Sciences Corporation (CSC). The methods used to provide assurance that the system meets its security requirements include the system architecture, a system security evaluation, and the application of formal and informal verification techniques. The combination of state-of-the-art technology and the incorporation of new verification procedures results in a demonstration of the feasibility of computer security technology for operational applications.

Mcmahon, E. M.↗

New directions for Artificial Intelligence (AI) methods in optimum design

Developments and applications of artificial intelligence (AI) methods in the design of structural systems is reviewed. Principal shortcomings in the current approach are emphasized, and the need for some degree of formalism in the development environment for such design tools is underscored. Emphasis is placed on efforts to integrate algorithmic computations in expert systems.

Hajela, Prabhat↗

Systems, methods and apparatus for verification of knowledge-based systems

Systems, methods and apparatus are provided through which in some embodiments, domain knowledge is translated into a knowledge-based system. In some embodiments, a formal specification is derived from rules of a knowledge-based system, the formal specification is analyzed, and flaws in the formal specification are used to identify and correct errors in the domain knowledge, from which a knowledge-based system is translated.

Hinchey, Michael G.↗

Lagrangian methods in the analysis of nonlinear wave interactions in plasma

An averaged-Lagrangian method is developed for obtaining the equations which describe the nonlinear interactions of the wave (oscillatory) and background (nonoscillatory) components which comprise a continuous medium. The method applies to monochromatic waves in any continuous medium that can be described by a Lagrangian density, but is demonstrated in the context of plasma physics. The theory is presented in a more general and unified form by way of a new averaged-Lagrangian formalism which simplifies the perturbation ordering procedure. Earlier theory is extended to deal with a medium distributed in velocity space and to account for the interaction of the background with the waves. The analytic steps are systematized, so as to maximize calculational efficiency. An assessment of the applicability and limitations of the method shows that it has some definite advantages over other approaches in efficiency and versatility.

Galloway, J. J.↗

COMPASO : A new halo finder for competitive assignment to spherical overdensities

We describe a new method (compaso) for identifying groups of particles in cosmological N-body simulations. compaso builds upon existing spherical overdensity (SO) algorithms by taking into consideration the tidal radius around a smaller halo before competitively assigning halo membership to the particles. In this way, the compaso finder allows for more effective deblending of haloes in close proximity as well as the formation of new haloes on the outskirts of larger ones. This halo-finding algorithm is used in the abacussummit suite of N-body simulations, designed to meet the cosmological simulation requirements of the Dark Energy Spectroscopic Instrument (DESI) survey. compaso is developed as a highly efficient on-the-fly group finder, which is crucial for enabling good load-balancing between the GPU and CPU and the creation of high-resolution merger trees. In this paper, we describe the halo-finding procedure and its particular implementation in abacus, accompanying it with a qualitative analysis of the finder. We test the robustness of the compaso catalogues before and after applying the cleaning method described in an accompanying paper and demonstrate its effectiveness by comparing it with other validation techniques. We then visualize the haloes and their density profiles, finding that they are well fit by the NFW formalism. Finally, we compare other properties such as radius–mass relationships and two-point correlation functions with that of another widely used halo finder, rockstar.

79 ASTRONOMY AND ASTROPHYSICS↗

Automated identification of dominant physical processes

The identification of processes that locally and approximately dominate dynamical system behavior has enabled significant advances in understanding and modeling nonlinear differential dynamical systems. Conventional methods of dominant process identification involve piecemeal and ad hoc (non-rigorous, informal) scaling analyses to identify dominant balances of governing equation terms and to delineate the spatiotemporal boundaries (boundaries in space and/or time) of each dominant balance. For the first time, we present an objective global measure of the fit of dominant balances to observations, which is desirable for automation, and was previously undefined. Furthermore, we propose a formal definition of the dominant balance identification problem in the form of an optimization problem. Here, we show that the optimization can be performed by various machine learning algorithms, enabling the automatic identification of dominant balances. Our method is algorithm agnostic and it eliminates reliance upon expert knowledge to identify dominant balances which are not known beforehand.

42 ENGINEERING↗

Methods for Evaluating DC Arc Incident Energy in PV Systems: Preprint

Renewable energy systems continue to be one of the fastest growing segments of the energy industry. This paper focuses on the understanding of how photovoltaic (PV) technology behaves under dc arc conditions. Emphasis is placed on the electrical safety aspect of DC arc flash incident energy evaluation. Because of the fast proliferation of PV systems and the lack of formal equivalent calculation guidelines such as IEEE 1584 for AC systems, it has been necessary to rely on different equations and models presented by various researchers over the last few years. This paper discusses the behavior of PV systems under arc conditions and presents the results of available methods to estimate the dc arc flash incident energy. This paper provides a comparative analysis of a proposed arc-flash incident energy calculation method against different laboratory tests including those performed by NREL. Detailed explanations are provided regarding the effect of PV module I-V and P-V curves under arcing conditions. Examples of the application of the proposed calculation method to the test measurements are included.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tidal dissipation in a homogeneous spherical body. I. Methods

A formula for the tidal dissipation rate in a spherical body is derived from first principles to correct some mathematical inaccuracies found in the literature. The development is combined with the Darwin-Kaula formalism for tides. Our intermediate results are compared with those by Zschau and Platzman. When restricted to the special case of an incompressible spherical planet spinning synchronously without libration, our final formula can be compared with the commonly used expression from Peale and Cassen. However, the two turn out to differ, as in our expression the contributions from all Fourier modes are positive-definite, which is not the case with the formula from Peale and Cassen. Examples of the application of our expression for the tidal damping rate are provided in the work by Makarov and Efroimsky (Paper II) published back to back with the current paper.

79 ASTRONOMY AND ASTROPHYSICS↗

A linear decomposition method for large optimization problems. Blueprint for development

A method is proposed for decomposing large optimization problems encountered in the design of engineering systems such as an aircraft into a number of smaller subproblems. The decomposition is achieved by organizing the problem and the subordinated subproblems in a tree hierarchy and optimizing each subsystem separately. Coupling of the subproblems is accounted for by subsequent optimization of the entire system based on sensitivities of the suboptimization problem solutions at each level of the tree to variables of the next higher level. A formalization of the procedure suitable for computer implementation is developed and the state of readiness of the implementation building blocks is reviewed showing that the ingredients for the development are on the shelf. The decomposition method is also shown to be compatible with the natural human organization of the design process of engineering systems. The method is also examined with respect to the trends in computer hardware and software progress to point out that its efficiency can be amplified by network computing using parallel processors.

Sobieszczanski-Sobieski, J.↗

Petri Nets as Modeling Tool for Emergent Agents

Emergent agents, those agents whose local interactions can cause unexpected global results, require a method of modeling that is both dynamic and structured Petri Nets, a modeling tool developed for dynamic discrete event system of mainly functional agents, provide this, and have the benefit of being an established tool. We present here the details of the modeling method here and discuss how to implement its use for modeling agent-based systems. Petri Nets have been used extensively in the modeling of functional agents, those agents who have defined purposes and whose actions should result in a know outcome. However, emergent agents, those agents who have a defined structure but whose interaction causes outcomes that are unpredictable, have not yet found a modeling style that suits them. A problem with formally modeling emergent agents that any formal modeling style usually expects to show the results of a problem and the results of problems studied using emergent agents are not apparent from the initial construction. However, the study of emergent agents still requires a method to analyze the agents themselves, and have sensible conversation about the differences and similarities between types of emergent agents. We attempt to correct this problem by applying Petri Nets to the characterization of emergent agents. In doing so, the emergent properties of these agents can be highlighted, and conversation about the nature and compatibility of the differing methods of agent creation can begin.

Bergman, Marto↗

Dynamical chemistry: non-equilibrium effective actions for reactive fluids

Abstract We present two approaches for describing chemical reactions taking place in fluid phase. The first method mirrors the usual derivation of the hydrodynamic equations of motion by relating conserved—or to account for chemical reactions, non-conserved—currents to local-equilibrium parameters. The second method involves a higher-brow approach in which we attack the same problem from the perspective of non-equilibrium effective field theory (EFT). Non-equilibrium effective actions are defined using the in–in formalism on the Schwinger–Keldysh contour and are therefore capable of describing thermal fluctuations and dissipation as well as quantum effects. The non-equilibrium EFT approach is especially powerful as all terms in the action are fully specified by the symmetries of the system; in particular the second law of thermodynamics does not need to be included by hand, but is instead derived from the action itself. We find that the equations of motion generated by both methods agree, but the EFT approach yields certain advantages. To demonstrate some of these advantages we construct a quadratic action that is valid to very small distance scales—much smaller than the scales at which ordinary hydrodynamic theories break down. Such an action captures the full thermodynamic and quantum behavior of reactions and diffusion at quadratic order. Finally, taking the low-frequency and low-wavenumber limit, we reproduce the linearized version of the well-known reaction–diffusion equations as a final coherence check.

Mechanics↗

Breaking Computational Barriers: Real-time Analysis and Optimization with Large-scale Nonlinear Models via Model Reduction

Model reduction for dynamical systems is a promising approach for reducing the computational cost of large-scale physics-based simulations to enable high-fidelity models to be used in many- query (e.g., Bayesian inference) and near-real-time (e.g., fast-turnaround simulation) contexts. While model reduction works well for specialized problems such as linear time-invariant systems, it is much more difficult to obtain accurate, stable, and efficient reduced-order models (ROMs) for systems with general nonlinearities. This report describes several advances that enable nonlinear reduced-order models (ROMs) to be deployed in a variety of time-critical settings. First, we present an error bound for the Gauss-Newton with Approximated Tensors (GNAT) nonlinear model reduction technique. This bound allows the state-space error for the GNAT method to be quantified when applied with the backward Euler time-integration scheme. Second, we present a methodology for preserving classical Lagrangian structure in nonlinear model reduction. This technique guarantees that important properties--such as energy conservation and symplectic time-evolution maps--are preserved when performing model reduction for models described by a Lagrangian formalism (e.g., molecular dynamics, structural dynamics). Third, we present a novel technique for decreasing the temporal complexity --defined as the number of Newton-like iterations performed over the course of the simulation--by exploiting time-domain data. Fourth, we describe a novel method for refining projection-based reduced-order models a posteriori using a goal-oriented framework similar to mesh-adaptive h -refinement in finite elements. The technique allows the ROM to generate arbitrarily accurate solutions, thereby providing the ROM with a 'failsafe' mechanism in the event of insufficient training data. Finally, we present the reduced-order model error surrogate (ROMES) method for statistically quantifying reduced- order-model errors. This enables ROMs to be rigorously incorporated in uncertainty-quantification settings, as the error model can be treated as a source of epistemic uncertainty. This work was completed as part of a Truman Fellowship appointment. We note that much additional work was performed as part of the Fellowship. One salient project is the development of the Trilinos-based model-reduction software module Razor , which is currently bundled with the Albany PDE code and currently allows nonlinear reduced-order models to be constructed for any application supported in Albany. Other important projects include the following: 1. ROMES-equipped ROMs for Bayesian inference: K. Carlberg, M. Drohmann, F. Lu (Lawrence Berkeley National Laboratory), M. Morzfeld (Lawrence Berkeley National Laboratory). 2. ROM-enabled Krylov-subspace recycling: K. Carlberg, V. Forstall (University of Maryland), P. Tsuji, R. Tuminaro. 3. A pseudo balanced POD method using only dual snapshots: K. Carlberg, M. Sarovar. 4. An analysis of discrete v. continuous optimality in nonlinear model reduction: K. Carlberg, M. Barone, H. Antil (George Mason University). Journal articles for these projects are in progress at the time of this writing.

97 MATHEMATICS AND COMPUTING↗

Theoretical Investigation of Structural, Electronic, Magnetic, and Mechanical Properties of Quaternary Heusler Alloys CoVTiX (X = As, Si)

The structural, electronic, magnetic, and mechanical properties of CoVTiAs and CoVTiSi quaternary Heusler alloys are studied using the full-potential linearized augmented plane-wave (FP-LAPW) method in the framework of the density functional theory (DFT). The generalized gradient approximation (GGA) is chosen for the exchange-correlation energy, whereas the modified Becke-Johnson (mBJ) formalism is applied for the electronic properties. Both CoVTiAs and CoVTiSi are stable in the type 2 (FM) structure. The mechanical properties of CoVTiX (X = As, Si) are predicted from the calculated elastic constants. Results identify that these compounds are mechanically stable. Our results with the mBJ approximation predict that CoVTiAs and CoVTiSi alloys are half-metallic ferromagnets with band gaps of 0.450 and 0.424 eV, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nonadiabatic Excited-State Molecular Dynamics for Open-Shell Systems

Nonadiabatic Molecular Dynamics (NAMD) of excited states has been widely used in the simulation of photoinduced phenomena. However, the inability to treat bond breaking and forming processes with single-reference electronic structure methods limits their application in photochemistry for extended molecular systems. In this work, the extension of excited-state NAMD for open-shell systems is developed and implemented in the NEXMD software. We present the spin-unrestricted CIS and TDSCF formalism for the ground and excited states, analytical derivatives, and nonadiabatic derivative couplings for the respective potential energy surfaces. Next, this methodology is employed to study the photochemical reaction of three model molecules. The results demonstrate the advantage of the open-shell approach in modeling photochemical reactions, especially involving bond breaking processes. We find that the open-shell method lowers the reaction barrier at the bond-breaking limits resulting in larger calculated photochemical quantum yields compared to the respective closed-shell results. We also address problems related to spin contamination in the open-shell method, especially when molecular geometries are far from equilibrium.

36 MATERIALS SCIENCE↗

An Eulerian–Lagrangian Weighted Essentially Nonoscillatory scheme for nonlinear conservation laws

Here, we develop a formally high order Eulerian–Lagrangian Weighted Essentially Nonoscillatory (EL-WENO) finite volume scheme for nonlinear scalar conservation laws that combines ideas of Lagrangian traceline methods with WENO reconstructions. The particles within a grid element are transported in the manner of a standard Eulerian–Lagrangian (or semi-Lagrangian) scheme using a fixed velocity v. A flux correction computation accounts for particles that cross the v-traceline during the time step. If v = 0, the scheme reduces to an almost standard WENO5 scheme. The CFL condition is relaxed when v is chosen to approximate either the characteristic or particle velocity. Excellent numerical results are obtained using relatively long time steps. The v-traceback points can fall arbitrarily within the computational grid, and linear WENO weights may not exist for the point. A general WENO technique is described to reconstruct to any order the integral of a smooth function using averages defined over a general, nonuniform computational grid. Moreover, to high accuracy, local averages can also be reconstructed. By re-averaging the function to a uniform reconstruction grid that includes a point of interest, one can apply a standard WENO reconstruction to obtain a high order point value of the function.

97 MATHEMATICS AND COMPUTING↗

Exploring temporal community evolution: algorithmic approaches and parallel optimization for dynamic community detection

Abstract Dynamic (temporal) graphs are a convenient mathematical abstraction for many practical complex systems including social contacts, business transactions, and computer communications. Community discovery is an extensively used graph analysis kernel with rich literature for static graphs. However, community discovery in a dynamic setting is challenging for two specific reasons. Firstly, the notion of temporal community lacks a widely accepted formalization, and only limited work exists on understanding how communities emerge over time. Secondly, the added temporal dimension along with the sheer size of modern graph data necessitates new scalable algorithms. In this paper, we investigate how communities evolve over time based on several graph metrics under a temporal formalization. We compare six different algorithmic approaches for dynamic community detection for their quality and runtime. We identify that a vertex-centric (local) optimization method works as efficiently as the classical modularity-based methods. To its advantage, such local computation allows for the efficient design of parallel algorithms without incurring a significant parallel overhead. Based on this insight, we design a shared-memory parallel algorithm DyComPar , which demonstrates between 4 and 18 fold speed-up on a multi-core machine with 20 threads, for several real-world and synthetic graphs from different domains.

97 MATHEMATICS AND COMPUTING↗