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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 685 records · Page 38

MoCog1: A computer simulation of recognition-primed human decision making

This report describes the successful results of the first stage of a research effort to develop a 'sophisticated' computer model of human cognitive behavior. Most human decision-making is of the experience-based, relatively straight-forward, largely automatic, type of response to internal goals and drives, utilizing cues and opportunities perceived from the current environment. This report describes the development of the architecture and computer program associated with such 'recognition-primed' decision-making. The resultant computer program was successfully utilized as a vehicle to simulate findings that relate how an individual's implicit theories orient them toward particular goals, with resultant cognitions, affects, and behavior in response to their environment. The present work is an expanded version and is based on research reported while the author was an employee of NASA ARC.

Gevarter, William B.↗

Beyond AdS 2 /dCFT 1 : insertions in two Wilson loops

We consider two-point correlators of local operator insertions in a system of two Wilson-Maldacena loops in $\mathcal{N}$ = 4 supersymmetric Yang-Mills theory on both sides of the AdS/CFT correspondence. On the holographic side the correlator of two Wilson-Maldacena loops is given by a classical string world-sheet which in one phase connects two asymptotically AdS 2 regions and in the other phase is given by two disconnected AdS 2 caps; this configuration breaks supersymmetry as well as conformal invariance. We present a complete systematic account of the string world-sheet fluctuations, including the fermionic sector, and study the behavior of the holographic two-point correlators. On the field theory side we compute certain two-point correlators of local operator insertions by resumming sets of ladder diagrams. Our results demonstrate the efficacy of previously developed methods in tackling this non-conformal, non-susy regime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Crucial role of thermal fluctuations and vertex corrections for the magnetic pseudogap

It is generally believed that in a two-dimensional metal, whose ground state is antiferromagnetically ordered with Q = (π,π), thermal (static) magnetic fluctuations give rise to precursor behavior above TN in which the spectral function of a hot fermion (the one for which k and k + Q are Fermi surface points) contains two peaks, separated by roughly the same energy as in the antiferromagnetically ordered state. The two peaks persist in some range of T > T N and eventually merge into a single peak at zero frequency. This behavior is obtained theoretically by departing from free fermions in a paramagnet and evaluating the dressed fermionic Green's function by summing up infinite series of diagrams with contributions from thermal magnetic fluctuations. We show, following that keeping vertex renormalization diagrams in these series is crucial as other terms only broaden the spectral function of a hot fermion but do not shift its maximum away from zero frequency. As the consequence, the magnetic pseudogap should be treated as an input for theories that neglect vertex corrections, such as, e.g., Eliashberg theory for magnetically mediated superconductivity. We also analyze the potential pseudogap behavior at T = 0. Here, we argue that it may exist, but only at a finite correlation length, and not as a precursor to antiferromagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Liquid-Vapor Interface Configurations Investigated in Low Gravity

The Interface Configuration Experiment (ICE) is part of a multifaceted study that is exploring the often striking behavior of liquid-vapor interfaces in low-gravity environments. Although the experiment was posed largely as a test of current mathematical theory, applications of the results should be manifold. In space almost every fluid system is affected, if not dominated, by capillarity (the effects of surface tension). As a result, knowledge of fluid interface behavior, in particular an equilibrium interface shape from which any analysis must begin, is fundamental--from the control of liquid fuels and oxygen in storage tanks to the design and development of inspace thermal systems, such as heat pipes and capillary pumped loops. ICE has increased, and should continue to increase, such knowledge as it probes the specific peculiarities of current theory upon which our present understanding rests. Several versions of ICE have been conducted in the drop towers at the NASA Lewis Research Center, on the space shuttles during the first and second United States Microgravity Laboratory missions (USML-1 and USML-2), and most recently aboard the Russian Mir space station. These studies focused on interfacial problems concerning the existence, uniqueness, configuration, stability, and flow characteristics of liquid-vapor interfaces. Results to date have clearly demonstrated the value of the present theory and the extent to which it can predict the behavior of capillary systems.

Concus, Paul↗

Semiclassical theory of unimolecular dissociation induced by a laser field

A semiclassical nonperturbative theory of direct photodissociation in a laser field is developed in which photon absorption and dissociation are treated in a unified fashion. This is achieved by visualizing nuclear dynamics as a representative particle moving on electronic-field surfaces. Methods are described for calculating dissociation rates and probabilities by Monte Carlo selection of initial conditions and integration of classical trajectories on these surfaces. This unified theory reduces to the golden rule expression in the weak-field and short-time limits, and predicts nonlinear behavior, i.e., breakdown of the golden rule expression in intense fields. Field strengths above which lowest-order perturbation theory fails to work have been estimated for some systems. Useful physical insights provided by the electronic-field representation have been illustrated. Intense field effects are discussed which are amenable to experimental observation. The semiclassical methods used here are also applicable to multiple-surface dynamics in fieldfree unimolecular and bimolecular reactions.

Yuan, J.-M.↗

Simplified tuning of long-range corrected density functionals for use in symmetry-adapted perturbation theory

Long considered a failure, second-order symmetry-adapted perturbation theory (SAPT) based on Kohn–Sham orbitals, or SAPT0(KS), can be resurrected for semiquantitative purposes using long-range corrected density functionals whose asymptotic behavior is adjusted separately for each monomer. Here, as in other contexts, correct asymptotic behavior can be enforced via “optimal tuning” based on the ionization energy theorem of density functional theory, but the tuning procedure is tedious, expensive for large systems, and comes with a troubling dependence on system size. Here, we show that essentially identical results are obtained using a fast, convenient, and automated tuning procedure based on the size of the exchange hole. In conjunction with “extended” (X)SAPT methods that improve the description of dispersion, this procedure achieves benchmark-quality interaction energies, along with the usual SAPT energy decomposition, without the hassle of system-specific tuning.

74 ATOMIC AND MOLECULAR PHYSICS↗

Differential geometric methods in system theory.

Discussion of certain problems in system theory which have been or might be solved using some basic concepts from differential geometry. The problems considered involve differential equations, controllability, optimal control, qualitative behavior, stochastic processes, and bilinear systems. The main goal is to extend the essentials of linear theory to some nonlinear classes of problems.

Brockett, R. W.↗

A new ply model for interlaminar stress analysis

An accurate estimate of interlaminar stresses is crucial to understanding, as well as predicting, many delamination-related failures in composite materials. A new model for ply-level sublaminate analysis is presented and applied. The homogeneous plate theory developed earlier by the authors (Valisetty and Rehfield, 1983) is further refined, and the equations are reduced appropriately for the classical finite-width free-edge laminate elasticity problem and a related delamination crack growth problem. It is applied to the laminate on a ply-by-ply basis. This theory incorporates all the essential physical effects and appears to be an adequate model for predicting the behavior of individual layers in equilibrium. On the basis of the number of equations and boundary conditions required for the implementation of layer equilibrium, this theory also appears to be the simplest of its kind presented so far. The stress induced in the free-edge region of a (0,90,90,0) laminate in uniform extension and the energy release rates for the delamination between the -30 deg and 90 deg plies of a (+, -30,+, -30, 90,90)s laminate are computed using the new analysis. The results are in excellent agreement with the existing numerical solutions. The new ply behavioral model appears to be very promising; it yields stresses and displacements that are statically and kinematically compatible at interlaminar surfaces.

Rao Valisetty, R.↗

A Modified Network Alteration Model to Predict Quasi-Static Behavior of the Cross-Linked Polymers During Hydrolytic Aging

Abstract The network alteration theory is utilized to capture the effects of hydrolytic aging on the mechanical integrity of the polymer matrix. Hydrolytic degradation generally considered as a result of two simultaneous chemical phenomena; (i) reduction of the cross-links, and (ii) active chain loss. Assuming the alteration of the chain density is identical to the change of the number average molecular weight along the aging trajectory, the strain energy of polymer matrix can be rewritten as a function of deformation, deformation history, storage time, and aging temperature. The proposed model includes only five physically inspired material parameters. Thus, while it is computationally efficient, it shows good agreement with own experimental data, which performed on various range of accelerated aging temperatures and times. With respect to its computational efficiency, simplicity, accuracy, and interpret-ability, the model is a good choice for advanced implementations in FE programs.

Bahrololoumi, Amir↗

CELFE: Coupled Eulerian-Lagrangian Finite Element program for high velocity impact. Part 1: Theory and formulation

A 3-D finite element program capable of simulating the dynamic behavior in the vicinity of the impact point, together with predicting the dynamic response in the remaining part of the structural component subjected to high velocity impact is discussed. The finite algorithm is formulated in a general moving coordinate system. In the vicinity of the impact point contained by a moving failure front, the relative velocity of the coordinate system will approach the material particle velocity. The dynamic behavior inside the region is described by Eulerian formulation based on a hydroelasto-viscoplastic model. The failure front which can be regarded as the boundary of the impact zone is described by a transition layer. The layer changes the representation from the Eulerian mode to the Lagrangian mode outside the failure front by varying the relative velocity of the coordinate system to zero. The dynamic response in the remaining part of the structure described by the Lagrangian formulation is treated using advanced structural analysis. An interfacing algorithm for coupling CELFE with NASTRAN is constructed to provide computational capabilities for large structures.

Lee, C. H.↗

Unitarity violation and the geometry of Higgs EFTs

We derive the scale of unitarity violation from the geometry of Effective Field Theory (EFT) extensions of the Standard Model Higgs sector. The high-energy behavior of amplitudes with more than four scalar legs depends on derivatives of geometric invariants with respect to the physical Higgs field h, such that higher-point amplitudes begin to reconstruct the scalar manifold away from our vacuum. In theories whose low-energy limit can be described by the Higgs EFT (HEFT) but not the Standard Model EFT (SMEFT), non-analyticities in the vicinity of our vacuum limit the radius of convergence of geometric invariants, leading to unitarity violation at energies below 4πv. Our results unify approaches to the HEFT/SMEFT dichotomy based on unitarity, analyticity, and geometry, and more broadly illustrate the sense in which observables probe the geometry of an EFT. Along the way, we provide novel basis-independent results for Goldstone/Higgs boson scattering amplitudes expressed in terms of geometric covariant quantities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Graph-Based Similarity Metrics for Comparing Simulation Model Causal Structures

The causal structure of a simulation is a major determinant of both its character and behavior, yet most methods we use to compare simulations focus only on simulation outputs. We introduce a method that combines graphical representation with information theoretic metrics to quantitatively compare the causal structures of models. The method applies to agent-based simulations as well as system dynamics models and facilitates comparison within and between types. Comparing models based on their causal structures can illuminate differences in assumptions made by the models, allowing modelers to (1) better situate their models in the context of existing work, including highlighting novelty, (2) explicitly compare conceptual theory and assumptions to simulated theory and assumptions, and (3) investigate potential causal drivers of divergent behavior between models. We demonstrate the method by comparing two epidemiology models at different levels of aggregation.

97 MATHEMATICS AND COMPUTING↗

Simulating motivated cognition

A research effort to develop a sophisticated computer model of human behavior is described. A computer framework of motivated cognition was developed. Motivated cognition focuses on the motivations or affects that provide the context and drive in human cognition and decision making. A conceptual architecture of the human decision-making approach from the perspective of information processing in the human brain is developed in diagrammatic form. A preliminary version of such a diagram is presented. This architecture is then used as a vehicle for successfully constructing a computer program simulation Dweck and Leggett's findings that relate how an individual's implicit theories orient them toward particular goals, with resultant cognitions, affects, and behavior.

Gevarter, William B.↗

A first-principles understanding of point defects and impurities in GaN

Attaining control over the electrical conductivity of gallium nitride through impurity doping is one of the foremost achievements in semiconductor science. Yet, unwanted contaminants and point defects continue to limit device performance, and experimental techniques alone are insufficient for elucidating the behavior of these unintentionally incorporated species. Methodological advancements have made first-principles calculations more powerful than ever and capable of quantitative predictions, though care must still be taken in comparing results from theory and experiment. In this Tutorial, we explain the basic concepts that define the behavior of dopants, unintentional impurities, and point defects in GaN. We also describe how to interpret experimental results in the context of theoretical calculations and also discuss how the properties of defects and impurities vary in III-nitride alloys. Lastly, we examine how the physics of defects and impurities in GaN is relevant for understanding other wide-bandgap semiconductor materials, such as the II–IV-nitrides, boron nitride, and the transition metal nitrides.

36 MATERIALS SCIENCE↗

Load biaxiality and fracture - Synthesis and summary

The question of load biaxiality strongly affecting almost all of the characteristics of brittle fracture behavior of a cracked body is investigated. Results of research published piecemeal over the years by the authors have shown that the stress and displacement fields, the elastic strain energy density, and the maximum shear stress near the crack tip are all altered by loads applied parallel to the crack, as are the angle of initial crack extension, the strain energy of the entire body, the fracture load, and the rate of fatigue crack growth. A synthesis and summary of this research is presented showing the shortcomings inherent in both Griffith's global energy rate theory for crack instability and Irwin's local crack-tip stress intensity theory for fracture toughness. In both theories only the tensile load perpendicular to the crack influences fracture behavior of the body.

Eftis, J.↗

Theory of reversible and nonreversible cracks in solids

The Griffith crack theory is reviewed and certain shortcomings of this theory are discussed. A new description for the shape of a crack is given which takes into account the atomic structure of material. Through consideration of the total energy of the system and the shape of the crack, expressions for crack behavior are derived which are considered to remedy the defects of the Griffith theory.

PROPERTIES, MATERIALS - TENSILE↗

Computation of the Thermal Expansion Coefficient of Graphene with Gaussian Approximation Potentials

Direct experimental measurement of thermal expansion coefficient without substrate effects is a challenging task for two-dimensional (2D) materials, and its accurate estimation with large-scale ab initio molecular dynamics is computationally very expensive. Machine learning-based interatomic potentials trained with ab initio data have been successfully used in molecular dynamics simulations to decrease the computational cost without compromising the accuracy. In this work, we investigated using Gaussian approximation potentials to reproduce the density functional theory-level accuracy for graphene within both lattice dynamical and molecular dynamical methods, and to extend their applicability to larger length and time scales. Two such potentials are considered, GAP17 and GAP20. GAP17, which was trained with pristine graphene structures, is found to give closer results to density functional theory calculations at different scales. Further vibrational and structural analyses verify that the same conclusions can be deduced with density functional theory level in terms of the reasoning of the thermal expansion behavior, and the negative thermal expansion behavior is associated with long-range out-of-plane phonon vibrations. Thus, it is argued that the enabled larger system sizes by machine learning potentials may even enhance the accuracy compared to small-size-limited ab initio molecular dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗