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At least 811 records · Page 45

Predicted thermophysical properties of UN, PuN, and (U,Pu)N

Molecular dynamics and density functional theory simulations are used to predict the lattice and electronic contributions of thermophysical properties for UN, PuN, and mixed (U,Pu)N systems. The properties predicted include the lattice parameter, linear thermal expansion, enthalpy, and specific heat capacity, as a function of temperature. The simulation predictions for high temperature specific heat capacity are compared against experimental measurements to understand the behavior, and why differences in the experimental measurements are observed. The influence of adding U vacancies, N interstitials, and Pu to UN is also examined. For this, a new PuN potential parameter set is developed and used with the Kocevski UN potential, enabling the dynamics of mixed (U,Pu)N systems to be studied. How defects impact the thermophysical properties is important for understanding fuel behavior under different reactor conditions, and these mechanistic predictions can be used to support fuel performance codes where data is scarce.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Predicted thermophysical properties of UN, PuN and (U,Pu)N

Molecular dynamics and density functional theory simulations are used to predict the lattice and electronic contributions of thermophysical properties for UN, PuN, and mixed (U,Pu)N systems. The properties predicted include the lattice parameter, linear thermal expansion, enthalpy, and specific heat capacity, as a function of temperature. The simulation predictions for high temperature specific heat capacity are compared against experimental measurements to understand the behavior, and why differences in the experimental measurements are observed. The influence of adding U vacancies, N interstitials, and Pu to UN is also examined. For this, a new PuN potential parameter set is developed and used with the Kocevski UN potential, enabling the dynamics of mixed (U,Pu)N systems to be studied. How defects impact the thermophysical properties is important for understanding fuel behavior under different reactor conditions, and these mechanistic predictions can be used to support fuel performance codes where data is scarce.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data-driven models of nonautonomous systems

Nonautonomous dynamical systems are characterized by time-dependent inputs, which complicates the discovery of predictive models describing the spatiotemporal evolution of the state variables of quantities of interest from their temporal snapshots. When dynamic mode decomposition (DMD) is used to infer a linear model, this difficulty manifests itself in the need to approximate the time-dependent Koopman operators. Our approach is to approximate the original nonautonomous system with a modified system derived via a local parameterization of the time-dependent inputs. The modified system comprises a sequence of local parametric systems, which are subsequently approximated by a parametric surrogate model using the DRIPS (dimension reduction and interpolation in parameter space) framework. The offline step of DRIPS relies on DMD to build a linear surrogate model, endowed with reduced-order bases for the observables mapped from training data. The online step interpolates on suitable manifolds to construct a sequence of iterative parametric surrogate models; the target/test parameter points on these manifolds are specified by a local parameterization of the test time-dependent inputs. Here, we use numerical experimentation to demonstrate the robustness of our method and compare its performance with that of deep neural networks.

97 MATHEMATICS AND COMPUTING↗

Kernel polynomial method for linear spin wave theory

Calculating dynamical spin correlations is essential for matching model magnetic exchange Hamiltonians to momentum-resolved spectroscopic measurements. A major numerical bottleneck is the diagonalization of the dynamical matrix, especially in systems with large magnetic unit cells, such as those with incommensurate magnetic structures or quenched disorder. In this paper, we demonstrate an efficient scheme based on the kernel polynomial method for calculating dynamical correlations of relevance to inelastic neutron scattering experiments. This method reduces the scaling of numerical cost from cubic to linear in the magnetic unit cell size.

97 MATHEMATICS AND COMPUTING↗

Method and system for training dynamic nonlinear adaptive filters which have embedded memory

Described herein is a method and system for training nonlinear adaptive filters (or neural networks) which have embedded memory. Such memory can arise in a multi-layer finite impulse response (FIR) architecture, or an infinite impulse response (IIR) architecture. We focus on filter architectures with separate linear dynamic components and static nonlinear components. Such filters can be structured so as to restrict their degrees of computational freedom based on a priori knowledge about the dynamic operation to be emulated. The method is detailed for an FIR architecture which consists of linear FIR filters together with nonlinear generalized single layer subnets. For the IIR case, we extend the methodology to a general nonlinear architecture which uses feedback. For these dynamic architectures, we describe how one can apply optimization techniques which make updates closer to the Newton direction than those of a steepest descent method, such as backpropagation. We detail a novel adaptive modified Gauss-Newton optimization technique, which uses an adaptive learning rate to determine both the magnitude and direction of update steps. For a wide range of adaptive filtering applications, the new training algorithm converges faster and to a smaller value of cost than both steepest-descent methods such as backpropagation-through-time, and standard quasi-Newton methods. We apply the algorithm to modeling the inverse of a nonlinear dynamic tracking system 5, as well as a nonlinear amplifier 6.

Rabinowitz, Matthew↗

Learning physics-based reduced-order models from data using nonlinear manifolds

Here we present a novel method for learning reduced-order models of dynamical systems using nonlinear manifolds. First, we learn the manifold by identifying nonlinear structure in the data through a general representation learning problem. The proposed approach is driven by embeddings of low-order polynomial form. A projection onto the nonlinear manifold reveals the algebraic structure of the reduced-space system that governs the problem of interest. The matrix operators of the reduced-order model are then inferred from the data using operator inference. Numerical experiments on a number of nonlinear problems demonstrate the generalizability of the methodology and the increase in accuracy that can be obtained over reduced-order modeling methods that employ a linear subspace approximation.

97 MATHEMATICS AND COMPUTING↗

Conformational and oligomeric states of SPOP from small-angle X-ray scattering and molecular dynamics simulations

Speckle-type POZ protein (SPOP) is a substrate adaptor in the ubiquitin proteasome system, and plays important roles in cell-cycle control, development, and cancer pathogenesis. SPOP forms linear higher-order oligomers following an isodesmic self-association model. Oligomerization is essential for SPOP’s multivalent interactions with substrates, which facilitate phase separation and localization to biomolecular condensates. Structural characterization of SPOP in its oligomeric state and in solution is, however, challenging due to the inherent conformational and compositional heterogeneity of the oligomeric species. Here, we develop an approach to simultaneously and self-consistently characterize the conformational ensemble and the distribution of oligomeric states of SPOP by combining small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations. We build initial conformational ensembles of SPOP oligomers using coarse-grained molecular dynamics simulations, and use a Bayesian/maximum entropy approach to refine the ensembles, along with the distribution of oligomeric states, against a concentration series of SAXS experiments. Our results suggest that SPOP oligomers behave as rigid, helical structures in solution, and that a flexible linker region allows SPOP’s substrate-binding domains to extend away from the core of the oligomers. Additionally, our results are in good agreement with previous characterization of the isodesmic self-association of SPOP. In the future, the approach presented here can be extended to other systems to simultaneously characterize structural heterogeneity and self-assembly.

59 BASIC BIOLOGICAL SCIENCES↗

Application and use of Multi Body Dynamic Simulations for In Space Mechanisms

The Thermal and Mechanical Analysis Branch of the Space System Department (ES22) is actively growing and expanding a new mechanical analysis capability. In recent years, there has been an increase in the demand for Multi Body Dynamics (MBD) analysis to support small ESPA ring size spacecraft, cubesats, lunar surface operations and large spacecraft with complex operations or deployables. Requirements can be balanced for both needs to ensure mechanism is verified for launch. Multi-body dynamics is the study of multiple rigid or flexible bodies that are linked together or are in contact and the associated kinematics and dynamics of the system. The typical outputs include performance information, loads, and deflections of mechanical systems. They routinely support the development of robotic mechanisms, deployment mechanisms, landing simulations, control systems, and conops planning.

Multi Body Dynamics Analysis↗

Initial Assessment of a Variable-Camber Continuous Trailing-Edge Flap System on a Rigid Wing for Drag Reduction in Subsonic Cruise

In this paper, we describe an initial optimization study of a Variable-Camber Continuous Trailing-Edge Flap (VCCTEF) system. The VCCTEF provides a light-weight control system for aircraft with long flexible wings, providing efficient high-lift capability for takeoff and landing, and greater efficiency with reduced drag at cruising flight by considering the effects of aeroelastic wing deformations in the control law. The VCCTEF system is comprised of a large number of distributed and individually-actuatable control surfaces that are constrained in movement relative to neighboring surfaces, and are non-trivially coupled through structural aeroelastic dynamics. Minimzation of drag results in a constrained, coupled, non-linear optimization over a high-dimension search space. In this paper, we describe the modeling, analysis, and optimization of the VCCTEF system control inputs for minimum drag in cruise. The purpose of this initial study is to quantify the expected benefits of the system concept. The scope of this analysis is limited to consideration of a rigid wing without structural flexibility in a steady-state cruise condition at various fuel weights. For analysis, we developed an optimization engine that couples geometric synthesis with vortex-lattice analysis to automate the optimization procedure. In this paper, we present and describe the VCCTEF system concept, optimization approach and tools, run-time performance, and results of the optimization at 20%, 50%, and 80% fuel load. This initial limited-scope study finds the VCCTEF system can potentially gain nearly 10% reduction in cruise drag, provides greater drag savings at lower operating weight, and efficiency is negatively impacted by the severity of relative constraints between control surfaces.

trailing edge flaps↗

Expendable Launch Vehicle Studies

Analytical support studies of expendable launch vehicles concentrates on the stability of the dynamics during launch especially during or near the region of maximum dynamic pressure. The in-plane linearized dynamic equations of a generic launch vehicle with multiple flexible bending and fuel sloshing modes are developed. The design of a robust LQR controller based on the reduced order system is accomplished using the parameter perturbation technique. The ELV modeling and analysis team has spent the past three years working on the theoretical development and application of sensitivity analysis to solve eigenvalue problems associated with structural dynamics. Specific application areas include stochastic vibrations, viscously damped vibrations and nonlinear dynamics. In stochastic linear vibrations, sensitivity analysis methods have been developed which determined the expectation and variance of the response for given probability density functions of various stochastic parameters. Examples worked include beam vibrations with up to six stochastic parameters; and the eigensensitivity results differ little from those obtained, with much effect, from Monte Carlo techniques. For viscously damped vibrations, eigensensitivity analysis has given excellent results for homogeneous beams, modeled by either quadratic or quartic eigenvalue equations. Specific applications include Kevin and Maxwell-type viscoelastic beams.

Bainum, P. M.↗

Modular design attitude control system

A hybrid multilevel linear quadratic regulator (ML-LQR) approach was developed and applied to the attitude control of models of the rotational dynamics of a prototype flexible spacecraft and of a typical space platform. Three axis rigid body flexible suspension models were developed for both the spacecraft and the space platform utilizing augmented body methods. Models of the spacecraft with hybrid ML-LQR attitude control and with LQR attitude control were simulated and their response with the two different types of control were compared.

Chichester, F. D.↗

Random field estimation approach to robot dynamics

The difference equations of Kalman filtering and smoothing recursively factor and invert the covariance of the output of a linear state-space system driven by a white-noise process. Here it is shown that similar recursive techniques factor and invert the inertia matrix of a multibody robot system. The random field models are based on the assumption that all of the inertial (D'Alembert) forces in the system are represented by a spatially distributed white-noise model. They are easier to describe than the models based on classical mechanics, which typically require extensive derivation and manipulation of equations of motion for complex mechanical systems. With the spatially random models, more primitive locally specified computations result in a global collective system behavior equivalent to that obtained with deterministic models. The primary goal of applying random field estimation is to provide a concise analytical foundation for solving robot control and motion planning problems.

Rodriguez, Guillermo↗

On the dynamics and control of tethered satellite systems

The rigid body dynamics and control of the tether, subsatellite and space platform are analyzed, during deployment, stationkeeping and retrieval phases using the Linear Quadratic Regulator (LQR) approach, accounting for the mass of the tether as well as a three dimensional offset of its point of attachment. The strategies employ tension in the tether line, thrusters, motion of the offset of the tether attachment point or their hybrid combinations. An assessment of the relative merit suggests the thruster-offset hybrid controller to be the most effective in damping given disturbances.

Modi, Vinod J.↗

Final Results for the GRC Supporting Technology Development Project for the 110-Watt Stirling Radioisotope Generator (SRG110)

From 1999-2006, the NASA Glenn Research Center (GRC) supported the development of a high-efficiency, nominal 110-We Stirling Radioisotope Generator (SRG110) for potential use on NASA missions, including deep space missions, Mars rovers, and lunar applications. Lockheed Martin (LM) was the system integrator for the SRG110, under contract to the Department of Energy (DOE). Infinia Corporation (formerly Stirling Technology Company) developed the Stirling convertor, first as a contractor to DOE and then under subcontract to LM. The SRG110 development has been redirected, and recent program changes have been made to significantly increase the specific power of the generator. System development of an Advanced Stirling Radioisotope Generator (ASRG) has now begun, using a lightweight, advanced convertor from Sunpower, Inc. This paper summarizes the results of the supporting technology effort that GRC completed for the SRG110. GRC tasks included convertor extended-duration testing in air and thermal vacuum environments, heater head life assessment, materials studies, permanent magnet aging characterization, linear alternator evaluations, structural dynamics testing, electromagnetic interference (EMI) and electromagnetic compatibility (EMC) characterization, organic materials evaluations, reliability studies, and development of an end-to-end system dynamic model. Related efforts are now continuing in many of these areas to support ASRG development.

Schreiber, Jeffrey G.↗

Final Results for the GRC Supporting Technology Development Project for the 110-Watt Stirling Radioisotope Generator (SRG110)

From 1999 to 2006, the NASA Glenn Research Center (GRC) supported the development of a high-efficiency, nominal 110-We Stirling Radioisotope Generator (SRG110) for potential use on NASA missions, including deep space missions, Mars rovers, and lunar applications. Lockheed Martin (LM) was the system integrator for the SRG110, under contract to the Department of Energy (DOE). Infinia Corporation (formerly Stirling Technology Company) developed the Stirling convertor, first as a contractor to DOE and then under subcontract to LM. The SRG110 development has been redirected, and recent program changes have been made to significantly increase the specific power of the generator. System development of an Advanced Stirling Radioisotope Generator (ASRG) has now begun, using a lightweight, advanced convertor from Sunpower, Inc. This paper summarizes the results of the supporting technology effort that GRC completed for the SRG110. GRC tasks included convertor extended-duration testing in air and thermal vacuum environments, heater head life assessment, materials studies, permanent magnet aging characterization, linear alternator evaluations, structural dynamics testing, electromagnetic interference (EMI) and electromagnetic compatibility (EMC) characterization, organic materials evaluations, reliability studies, and development of an end-to-end system dynamic model. Related efforts are now continuing in many of these areas to support ASRG development.

Schreiber, Jeffrey G.↗

Multi-level optimization with the koopman operator for data-driven, domain-aware, and dynamic system security

Cyber-Physical Systems (CPSs) like the power grid are critically important but also increasingly vulnerable; ensuring reliable system operation in the face of disruptions is becoming more and more challenging. Multi-Level Optimization (MLO) is a powerful way to model adversarial interactions, which naturally makes it applicable to studying CPS security. However, MLO typically does not address underlying system dynamics, and incorporating nonlinear dynamics is generally infeasible. In this paper, we show how to combine MLO with the Koopman Operator (KO) to remedy this. The KO maps nonlinear dynamics to a lifted space in which those dynamics are linear, thus making it ideal for use with MLO. Moreover, the structure of the KO also provides convenient ways to incorporate domain knowledge into the data-driven process of learning the KO representation of a given system. Here we then demonstrate the use of MLO-KO on a small example problem taken from the power grid domain, discuss the scalability and computational cost of MLO-KO, and identify future research directions for this work.

42 ENGINEERING↗

Perform - A performance optimizing computer program for dynamic systems subject to transient loadings

A description and applications of a computer capability for determining the ultimate optimal behavior of a dynamically loaded structural-mechanical system are presented. This capability provides characteristics of the theoretically best, or limiting, design concept according to response criteria dictated by design requirements. Equations of motion of the system in first or second order form include incompletely specified elements whose characteristics are determined in the optimization of one or more performance indices subject to the response criteria in the form of constraints. The system is subject to deterministic transient inputs, and the computer capability is designed to operate with a large linear programming on-the-shelf software package which performs the desired optimization. The report contains user-oriented program documentation in engineering, problem-oriented form. Applications cover a wide variety of dynamics problems including those associated with such diverse configurations as a missile-silo system, impacting freight cars, and an aircraft ride control system.

Pilkey, W. D.↗