Implications for electrophysiology of a model of global function using simple simultaneity
Electrophysiological implications of model of global function using simple simultaneity - brain function studies with EEG
NEUROPHYSIOLOGY↗
SEARCH · Engineering Papers
Results for “FUNCTIONAL MODELS”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Enhancing the accuracy of density functional tight binding models through ChIMES many-body interaction potentials
Semi-empirical quantum models such as Density Functional Tight Binding (DFTB) are attractive methods for obtaining quantum simulation data at longer time and length scales than possible with standard approaches. However, application of these models can require lengthy effort due to the lack of a systematic approach for their development. In this work, we discuss the use of the Chebyshev Interaction Model for Efficient Simulation (ChIMES) to create rapidly parameterized DFTB models, which exhibit strong transferability due to the inclusion of many-body interactions that might otherwise be inaccurate. We apply our modeling approach to silicon polymorphs and review previous work on titanium hydride. We also review the creation of a general purpose DFTB/ChIMES model for organic molecules and compounds that approaches hybrid functional and coupled cluster accuracy with two orders of magnitude fewer parameters than similar neural network approaches. In all cases, DFTB/ChIMES yields similar accuracy to the underlying quantum method with orders of magnitude improvement in computational cost. In conclusion, our developments provide a way to create computationally efficient and highly accurate simulations over varying extreme thermodynamic conditions, where physical and chemical properties can be difficult to interrogate directly, and there is historically a significant reliance on theoretical approaches for interpretation and validation of experimental results.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Transformations based on continuous piecewise-affine velocity fields
Here, we propose novel finite-dimensional spaces of well-behaved Rn → Rn transformations. The latter are obtained by (fast and highly-accurate) integration of continuous piecewise-affine velocity fields. The proposed method is simple yet highly expressive, effortlessly handles optional constraints (e.g., volume preservation and/or boundary conditions), and supports convenient modeling choices such as smoothing priors and coarse-to-fine analysis. Importantly, the proposed approach, partly due to its rapid likelihood evaluations and partly due to its other properties, facilitates tractable inference over rich transformation spaces, including using Markov-Chain Monte-Carlo methods. Its applications include, but are not limited to: monotonic regression (more generally, optimization over monotonic functions); modeling cumulative distribution functions or histograms; time-warping; image warping; image registration; real-time diffeomorphic image editing; data augmentation for image classifiers. Our GPU-based code is publicly available.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
The role of man in flight experiment payload missions. Volume 2: Appendices
In the study to determine the role of man in Sortie Lab operations, a functional model of a generalized experiment system was developed. The results are presented of a requirements analysis which was conducted to identify performance requirements, information requirements, and interface requirements associated with each function in the model.
Malone, T. B.↗
Some neuromuscular subsystem dynamics
Describing-function models for transfer dynamics for human operator neuromuscular system
TRANSFER FUNCTION↗
The insertion of human dynamics models in the flight control loops of V/STOL research aircraft. Appendix 2: The optimal control model of a pilot in V/STOL aircraft control loops
An overview is presented of research work focussed on the design and insertion of classical models of human pilot dynamics within the flight control loops of V/STOL aircraft. The pilots were designed and configured for use in integrated control system research and design. The models of human behavior that were considered are: McRuer-Krendel (a single variable transfer function model); and Optimal Control Model (a multi-variable approach based on optimal control and stochastic estimation theory). These models attempt to predict human control response characteristics when confronted with compensatory tracking and state regulation tasks. An overview, mathematical description, and discussion of predictive limitations of the pilot models is presented. Design strategies and closed loop insertion configurations are introduced and considered for various flight control scenarios. Models of aircraft dynamics (both transfer function and state space based) are developed and discussed for their use in pilot design and application. Pilot design and insertion are illustrated for various flight control objectives. Results of pilot insertion within the control loops of two V/STOL research aricraft (Sikorski Black Hawk UH-60A, McDonnell Douglas Harrier II AV-8B) are presented and compared against actual pilot flight data. Conclusions are reached on the ability of the pilot models to adequately predict human behavior when confronted with similar control objectives.
Zipf, Mark E.↗
Turbofan Volume Dynamics Model for Investigations of Aero-Propulso-Servo-Elastic Effects in a Supersonic Commercial Transport
A turbofan simulation has been developed for use in aero-propulso-servo-elastic coupling studies, on supersonic vehicles. A one-dimensional lumped volume approach is used whereby each component (fan, high-pressure compressor, combustor, etc.) is represented as a single volume using characteristic performance maps and conservation equations for continuity, momentum and energy. The simulation is developed in the MATLAB/SIMULINK (The MathWorks, Inc.) environment in order to facilitate controls development, and ease of integration with a future aero-servo-elastic vehicle model being developed at NASA Langley. The complete simulation demonstrated steady state results that closely match a proposed engine suitable for a supersonic business jet at the cruise condition. Preliminary investigation of the transient simulation revealed expected trends for fuel flow disturbances as well as upstream pressure disturbances. A framework for system identification enables development of linear models for controller design. Utilizing this framework, a transfer function modeling an upstream pressure disturbance s impacts on the engine speed is developed as an illustrative case of the system identification. This work will eventually enable an overall vehicle aero-propulso-servo-elastic model
Connolly, Joseph W.↗
Elastic Bayesian Model Calibration
Functional data are ubiquitous in scientific modeling. For instance, quantities of interest are modeled as functions of time, space, energy, density, etc. Uncertainty quantification methods for computer models with functional response have resulted in tools for emulation, sensitivity analysis, and calibration that are widely used. However, many of these tools do not perform well when the computer model’s parameters control both the amplitude variation of the functional output and its alignment (or phase variation). This paper introduces a framework for Bayesian model calibration when the model responses are misaligned functional data. The approach generates two types of data out of the misaligned functional responses: (1) aligned functions so that the amplitude variation is isolated and (2) warping functions that isolate the phase variation. These two types of data are created for the computer simulation data (both of which may be emulated) and the experimental data. The calibration approach uses both types so that it seeks to match both the amplitude and phase of the experimental data. The framework is careful to respect constraints that arise, especially when modeling phase variation, and is framed in a way that it can be done with readily available calibration software. In conclusion, we demonstrate the techniques on two simulated data examples and on two dynamic material science problems: a strength model calibration using flyer plate experiments and an equation of state model calibration using experiments performed on the Sandia National Laboratories’ Z-machine.
97 MATHEMATICS AND COMPUTING↗
Simultaneous enhancement of multiple functional properties using evolution-informed protein design
Abstract A major challenge in protein design is to augment existing functional proteins with multiple property enhancements. Altering several properties likely necessitates numerous primary sequence changes, and novel methods are needed to accurately predict combinations of mutations that maintain or enhance function. Models of sequence co-variation (e.g., EVcouplings), which leverage extensive information about various protein properties and activities from homologous protein sequences, have proven effective for many applications including structure determination and mutation effect prediction. We apply EVcouplings to computationally design variants of the model protein TEM-1 β -lactamase. Nearly all the 14 experimentally characterized designs were functional, including one with 84 mutations from the nearest natural homolog. The designs also had large increases in thermostability, increased activity on multiple substrates, and nearly identical structure to the wild type enzyme. This study highlights the efficacy of evolutionary models in guiding large sequence alterations to generate functional diversity for protein design applications.
59 BASIC BIOLOGICAL SCIENCES↗
Studies of radar backscatter as a function of wave properties and the winds in the turbulent marine atmosphere
The research on model functions for ADEOS and ERS-1 are summarized and an analysis of the differences between the three kinds of models is provided in this final report. The success of the AMI on ERS-1 obtained at GSFC and NMC is highlighted. The problem of wind stress description is reviewed within and the scatterometer model being developed for high winds monitoring for the AMI on ERS-1 and ERS-2 is described.
Pierson, Willard J., Jr.↗
Accurate parameterization of the kinetic energy functional for calculations using exact-exchange
In this report, electronic structure calculations based on Kohn-Sham density functional theory (KSDFT) that incorporate exact exchange or hybrid functionals are associated with large computational expense, a consequence of the inherent cubic scaling bottleneck and large associated prefactor, which limits the length and time scales that can be accessed. Though orbital-free density functional theory (OFDFT) calculations scale linearly with system size and are associated with significantly smaller prefactor, they are limited by the absence of accurate density-dependent kinetic energy functionals. Therefore, the development of accurate density-dependent kinetic energy functionals is important for OFDFT calculations of large realistic systems. To this end, we propose a method to train kinetic energy functional models at the exact-exchange level of theory by using a dictionary of physically relevant terms that have been proposed in the literature in conjunction with linear or nonlinear regression methods to obtain the fitting coefficients. For our dictionary, we use gradient expansion of the kinetic energy, nonlocal models proposed in the literature and their nonlinear combinations, such as a model that incorporates spatial correlations between higher order derivatives of electron density at two points. The predictive capabilities of these models are assessed by using a variety of model one-dimensional systems that exhibit diverse bonding characteristics, such as a chain of eight hydrogens, LiF, LiH, C 4 H 2 , C 4 N 2 and C 3 O 2 . We show that by using data from model one-dimensional KSDFT calculations performed using the exact-exchange functional for only a few neutral structures, it is possible to generate models with high accuracy for charged systems as well as electron and kinetic energy densities during self-consistent field iterations. In addition, we show that it possible to learn both the orbital dependent terms, i.e., the kinetic energy and the exact-exchange energy, and models that incorporate additional nonlinearities in spatial correlations, such as a quadratic model, are needed to capture subtle features of the kinetic energy density that are present in exact-exchange-based KSDFT calculations.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
USM3D Simulations for the Third AIAA Sonic Boom Prediction Workshop
The NASA USM3D flow solver was used to compute test cases for the Third AIAA Sonic Boom Prediction Workshop (SBPW3). The test cases included a nearfield biconvex shock-plume interaction wind tunnel model and the C608 Low Boom Flight Demonstrator. Numerical simulations were conducted on the mixed-element and tetrahedral grids provided by the workshop committee, as well as a family of grids generated by an in-house approach known as BoomGrid. The nearfield pressure signatures were extracted and propagated to the ground, and the perceived loudness levels on the ground were computed. The USM3D nearfield pressure signatures, corresponding ground signatures, and loudness levels on the ground were compared with that of mean values from other workshop participants. The effect of three flux-limiters on the accuracy of nearfield pressure signature prediction was investigated and results were compared with that of mean values from other workshop participants. The effect of using wall-function models for predicting nearfield pressure signatures was also evaluated. Results showed that the overpressure signatures extracted from the wall-modeled simulations and the wall-resolved simulations are in good agreement. The use of wall functions (wall-modeled simulations) allowed for approximately 23% savings in the time to solution and yielded comparable perceived loudness levels on the ground to the wall-resolved Reynolds-averaged Navier Stokes simulations.
Supersonics↗
A particle-conserved weighted-average oscillator model for trapped particles in long-time nonlinear Landau damping
A normalized weighting function model for the average period of particles trapped in the potential wells of waves undergoing nonlinear Landau damping is considered herein. The model preserves the conservation properties of the trapped particles and relates them to the evolution of the wave envelope. It is valid when there are more shallowly trapped particles than deeply trapped particles, such as in long-time nonlinear Landau damping, as well as stabilities due to trapped particles at long times. The model is also useful for estimating the validity of the often invoked assumption that most trapped particles in nonlinear waves are deeply trapped.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Mechanisms and models of the turbulent boundary layers at transcritical conditions
Computational models for high-pressure transcritical turbulence in wall-modeled large-eddy simulation typically rely on wall-function models to overcome the need for resolving the boundary layer structures. However, the mechanisms and models of turbulent boundary layer at transcritical conditions remain poorly understood since the near-wall flow and heat transfer are significantly affected by the enhanced fluctuations and steep gradients in thermodynamic properties. Here, to address this issue, we study the mechanisms of transcritical turbulent boundary layers and wall-attached models at transcritical conditions. It is shown that the real-fluid variable-property effects are associated with the coupling between the near-wall cycle and the wall-normal coherent motions in the outer layer, resulting in the amplification of turbulent energy in the outer layer and noticeable energy transfer between the log-layer and the outer layer; hence, turbulence in the log-layer is modulated by the outer layer. Based on this underlying physical principle, we propose the characteristic velocity and length scales for the attached eddy at transcritical conditions, and extend the attached eddy model to transcritical turbulent boundary layers by introducing a mixed scaling that incorporates both inner and outer scalings. We show that the new characteristic scales and extended attached-eddy model perform well in characterizing the structures in transcritical turbulent boundary layers.
Li, Fangbo↗
Palm: Easing the Burden of Analytical Performance Modeling
Analytical (predictive) application performance models are critical for diagnosing performance-limiting resources, optimizing systems, and designing machines. Creating models, however, is difficult because they must be both accurate and concise. To ease the burden of performance modeling, we developed Palm, a modeling tool that combines top-down (human-provided) semantic insight with bottom-up static and dynamic analysis. To express insight, Palm defines a source code modeling annotation language. By coordinating models and source code, Palm's models are `first-class' and reproducible. Unlike prior work, Palm formally links models, functions, and measurements. As a result, Palm (a) uses functions to either abstract or express complexity (b) generates hierarchical models (representing an application's static and dynamic structure); and (c) automatically incorporates measurements to focus attention, represent constant behavior, and validate models. We discuss generating models for three different applications.
annotation languages↗
PV Performance Modeling and Stakeholder Engagement (Q3 FY2020 Project Report)
The objectives of this project are as follows: 1. Reduce uncertainty in PV performance models by developing and validating new and improved models and submodes. 2. Create and manage an open source repository of modeling functions and data. 3. Build and grow the PV Performance Modeling Collaborative; and, 4. Represent the US in the IEA PVPS Task 13 Working group.
14 SOLAR ENERGY↗
PV Performance Modeling and Stakeholder Engagement (Q1 FY2021 Project Report))
The objectives of this project are as follows: 1) Reduce uncertainty in PV performance models by developing and validating new and improved models and submodes. 2) Create and manage an open source repository of modeling functions and data. 3) Build and grow the PV Performance Modeling Collaborative 4) Represent the US in the IEA PVPS Task 13 Working group.
14 SOLAR ENERGY↗