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DOE OSTI2023

A coarse-grained simulation model for colloidal self-assembly via explicit mobile binders

Colloidal particles with mobile binding molecules constitute a powerful platform for probing the physics of self-assembly. Binding molecules are free to diffuse and rearrange on the surface, giving rise to spontaneous control over the number of droplet–droplet bonds, i.e., valence, as a function of the concentration of binders. This type of valence control has been realized experimentally by tuning the interaction strength between DNA-coated emulsion droplets. Optimizing for valence two yields droplet polymer chains, termed ‘colloidomers’, which have recently been used to probe the physics of folding. To understand the underlying self-assembly mechanisms, here we present a coarse-grained molecular dynamics (CGMD) model to study the self-assembly of this class of systems using explicit representations of mobile binding sites. Further, we explore how valence of assembled structures can be tuned through kinetic control in the strong binding limit. More specifically, we optimize experimental control parameters to obtain the highest yield of long linear colloidomer chains. Subsequently tuning the dynamics of binding and unbinding via a temperature-dependent model allows us to observe a heptamer chain collapse into all possible rigid structures, in good agreement with recent folding experiments. Our CGMD platform and dynamic bonding model (implemented as an open-source custom plugin to HOOMD-Blue) reveal the molecular features governing the binding patch size and valence control, and opens the study of pathways in colloidomer folding. This model can therefore guide programmable design in experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1976

Stellar convection theory. I - The anelastic modal equations

Methods are developed for dealing with the various dynamical problems that arise because of convective zones in stars. A system of equations for stellar convection is derived from the full equations of compressible fluid dynamics with the aid of two major approximations. The first of these is the anelastic approximation, which involves both the filtering out of acoustic waves and a suitable linearization of the fluctuating thermodynamic variables. The second one approximates the horizontal structure of convection by expanding the motion in a set of horizontal cellular platforms and severely truncating the expansion. The resulting system of partial differential equations, referred to as the anelastic modal equations, is outlined along with suggested boundary conditions and techniques for solving the equations. Ways of assessing the overall validity of the present treatment are discussed.

Latour, J.↗

NASA NTRS2007

Image sensor with high dynamic range linear output

Designs and operational methods to increase the dynamic range of image sensors and APS devices in particular by achieving more than one integration times for each pixel thereof. An APS system with more than one column-parallel signal chains for readout are described for maintaining a high frame rate in readout. Each active pixel is sampled for multiple times during a single frame readout, thus resulting in multiple integration times. The operation methods can also be used to obtain multiple integration times for each pixel with an APS design having a single column-parallel signal chain for readout. Furthermore, analog-to-digital conversion of high speed and high resolution can be implemented.

Yadid-Pecht, Orly↗

DOE OSTI2020

How eigenmode self-interaction affects zonal flows and convergence of tokamak core turbulence with toroidal system size

Self-interaction is the process by which a microinstability eigenmode that is extended along the direction parallel to the magnetic field interacts non-linearly with itself. This effect is particularly significant in gyrokinetic simulations accounting for kinetic passing electron dynamics and is known to generate stationary $E\times B$ zonal flow shear layers at radial locations near low-order mode rational surfaces (Weikl et al. Phys. Plasmas, vol. 25, 2018, 072305). Here, we find that self-interaction, in fact, plays a very significant role in also generating fluctuating zonal flows, which is critical to regulating turbulent transport throughout the radial extent. Unlike the usual picture of zonal flow drive in which microinstability eigenmodes coherently amplify the flow via modulational instabilities, the self-interaction drive of zonal flows from these eigenmodes are uncorrelated with each other. It is shown that the associated shearing rate of the fluctuating zonal flows therefore reduces as more toroidal modes are resolved in the simulation. In simulations accounting for the full toroidal domain, such an increase in the density of toroidal modes corresponds to an increase in the toroidal system size, leading to a finite system size effect that is distinct from the well-known profile shearing effect.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Bayesian Estimation of Oscillator Parameters: Toward Anomaly Detection and Cyber-Physical System Security

Cyber-physical system security presents unique challenges to conventional measurement science and technology. Anomaly detection in software-assisted physical systems, such as those employed in additive manufacturing or in DNA synthesis, is often hampered by the limited available parameter space of the underlying mechanism that is transducing the anomaly. As a result, the formulation of anomaly detection for such systems often leads to inverse or ill-posed problems, requiring statistical treatments. Here, we present Bayesian inference of unknown parameters associated with a generic actuator considered as a representative vital element of a cyber-physical system. Via a series of experimental input-output measurements, a transfer function for the actuator is obtained numerically, which serves as our model for the proposed method. Linear, nonlinear, and delayed dynamics may be assumed for the actuator response. By devising a code-based malicious signal, we study the efficacy of Bayesian inference for its potential to produce a detection, including uncertainty quantification, with a remarkably small number of input data points. Our approach should be adaptable to a variety of real-time cyber-physical anomaly detection scenarios.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

$\text{GPLaSDI}$: Gaussian Process-based interpretable Latent Space Dynamics Identification through deep autoencoder

Numerically solving partial differential equations (PDEs) can be challenging and computationally expensive. This has led to the development of reduced-order models (ROMs) that are accurate but faster than full order models (FOMs). Recently, machine learning advances have enabled the creation of non-linear projection methods, such as Latent Space Dynamics Identification (LaSDI). LaSDI maps full-order PDE solutions to a latent space using autoencoders and learns the system of ODEs governing the latent space dynamics. By interpolating and solving the ODE system in the reduced latent space, fast and accurate ROM predictions can be made by feeding the predicted latent space dynamics into the decoder. In this paper, we introduce GPLaSDI, a novel LaSDI-based framework that relies on Gaussian process (GP) for latent space ODE interpolations. Using GPs offers two significant advantages. First, it enables the quantification of uncertainty over the ROM predictions. Second, leveraging this prediction uncertainty allows for efficient adaptive training through a greedy selection of additional training data points. This approach does not require prior knowledge of the underlying PDEs. Consequently, GPLaSDI is inherently non-intrusive and can be applied to problems without a known PDE or its residual. Here we demonstrate the effectiveness of our approach on the Burgers equation, Vlasov equation for plasma physics, and a rising thermal bubble problem. Our proposed method achieves between 200 and 100,000 times speed-up, with up to 7% relative error.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Dependence of the kinetic energy absorption capacity of bistable mechanical metamaterials on impactor mass and velocity

Using an alternative mechanism to dissipation or scattering, bistable structures and mechanical metamaterials have shown promise for mitigating the detrimental effects of impact by reversibly locking energy into strained material. Herein, we extend prior works on impact absorption via bistable metamaterials to computationally explore the dependence of kinetic energy transmission on the velocity and mass of the impactor, with strain rates exceeding 10 2 s –1 . We observe a large dependence on both impactor parameters, ranging from significantly better to worse performance than a comparative linear material. We then correlate the variability in performance to solitary wave formation in the system and give analytical estimates of idealized energy absorption capacity under dynamic loading. In addition, we find a significant dependence on damping accompanied by a qualitative difference in solitary wave propagation within the system. The complex dynamics revealed in this study offer potential future guidance for the application of bistable metamaterials to applications including human and engineered system shock and impact protection devices.

42 ENGINEERING↗

DOE OSTI2023

Halo formation from Yukawa forces in the very early Universe

If long-range attractive forces exist and are stronger than gravity then cosmic halo formation can begin in the radiation-dominated era. We study a simple realization of this effect in a system where dark matter fermions have Yukawa interactions mediated by scalar particles, analogous to the Higgs boson in the standard model. We develop a self-consistent description of the system including exact background dynamics of the scalar field, and precise modeling of the fermion density fluctuations. For the latter, we provide accurate approximations for the linear growth as well as quantitative modeling of the nonlinear evolution using N-body simulations. We find that halo formation occurs exponentially fast and on scales substantially larger than simple estimates predict. Here, the final fate of these halos remains uncertain, but could be annihilation, dark stars, primordial black holes, or even the existence of galaxy-sized halos at matter-radiation equality. More generally, our results demonstrate the importance of mapping scalar-mediated interactions onto structure formation outcomes and constraints for beyond the standard model theories.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Single-shot electro-optic sampling with arbitrary terahertz polarization

With the recent development of diversity electro-optic sampling (DEOS), significant progress has been made in the range of applicability of single-shot EOS measurements, allowing broadband THz waveforms to be captured in a single shot over large temporal windows. In addition to the decrease in acquisition time compared to standard multishot data acquisition, this technique allows measurements on systems far from equilibrium with large shot-to-shot noise or with irreversible or poorly repeatable dynamics. Although DEOS has been demonstrated and verified for linearly polarized THz waveforms, we investigate the effects resulting from the presence of a secondary polarization component. This imposes new challenges for accurate waveform reconstruction, and opens the opportunity to measure out complex polarization states such as arbitrary elliptically polarized THz field. We demonstrate a single-shot diversity-electro-optic-sampling-based approach to capture both x- and y-THz fields simultaneously with a single (110)-cut EO crystal for THz polarimetry and ellipsometry over a wide range of frequencies.

Lenz, Maximilian [University of California, Los An↗

NASA NTRS1969

Improved pulse shape discriminator for fast neutron-gamma ray detection system

Discriminator in nuclear particle detection system distinguishes nuclear particle type and energy among many different nuclear particles. Discriminator incorporates passive, linear circuit elements so that it will operate over a wide dynamic range.

Lockwood, J. A.↗

NASA NTRS1974

Prediction of compressor stall for distorted and undistorted flow by use of a multistage compressor simulation on the digital computer

Daniele, C. J.↗

NASA NTRS1975

Importance of helicopter dynamics to the mathematical model of the helicopter

A mathematical model of the helicopter requires appropriate representation of the constituent elements of rotor dynamics. General-purpose programs that model a variety of configurations for a broad range of operating conditions result in varying and incompatible levels of sophistication. Analysis of specific dynamic problems facilitates the identification of configuration parameters which determine system behavior. For the present analysis, the nonlinear equations of a torsionally rigid hingeless rotor are linearized about an equilibrium condition to determine flap-lag stability characteristics in hover. A collocation method was used to obtain the coupled natural frequencies and modes. These modes allow exact treatment of the effect of elastic coupling which more than compensates for the destabilizing inertial coupling. The sensitivity of damping to the number of modes was found to be small, and reasonable accuracy was obtained the first flapwise and edgewise coupled modes. The range of destabilizing precone was found to be small.

White, W. F., Jr.↗

NASA NTRS1975

Prediction of compressor stall for distorted and undistorted flow by use of a multistage compressor simulation on the digital computer

A simulation technique is presented for the prediction of compressor stall for axial-flow compressors for clean and distorted inlet flow. The simulation is implemented on the digital computer and uses stage stacking and lumped-volume gas dynamics. The resulting nonlinear differential equations are linearized about a steady-state operating point, and a Routh-Hurwitz stability test is performed on the linear system matrix. Parallel compressor theory is utilized to extend the technique to the distorted inlet flow problem. The method is applied to the eight-stage J85-13 compressor. Analytical stall prediction for the undistorted stall line shows good agreement with experimental results. The predicted stall line for distorted inlet flow is in agreement with experimental results only for large distortion extents and/or low distortion levels. Results for low distortion extents and high distortion level do not agree with experimental results.

Daniele, C. J.↗

NASA NTRS1976

Visual/motion simulation of CTOL flare and touchdown comparing data obtained from two model board display systems

Acquisition of a modern terrain model board display system for 'out-the-window' scene presentation has allowed for the repetition of an evaluation study of combined visual/motion cues for CTOL flare and touchdown control that was originally carried out on a 1965 vintage landing display system. The motion drive system used in both studies was a nonlinear coordinated adaptive washout based on the method of continuous steepest descent optimization. Comparisons of the results of the studies present flare and touchdown data, as well as dynamic response data, from the two visual landing systems. The new visual system also allowed for the repetition, under visual conditions, of a subjective comparison of a linear and a nonlinear motion washout method done previously under instrument conditions.

Parrish, R. V.↗

NASA NTRS1984

The effects of time delay in man-machine control systems: Implications for design of flight simulator Visual-Display-Delay compensation

When human operators are performing precision tracking tasks, their dynamic response can often be modeled by quasilinear describing functions. That fact permits analysis of the effects of delay in certain man machine control systems using linear control system analysis techniques. The analysis indicates that a reduction in system stability is the immediate effect of additional control system delay, and that system characteristics moderate or exaggerate the importance of the delay. A selection of data (simulator and flight test) consistent with the analysis is reviewed. Flight simulator visual-display delay compensation, designed to restore pilot aircraft system stability, was evaluated in several studies which are reviewed here. The studies range from single-axis, tracking-task experiments (with sufficient subjects and trials to establish the statistical significance of the results) to a brief evaluation of compensation of a computer generated imagery (CGI) visual display system in a full six degree of freedom simulation. The compensation was effective, improvements in pilot performance and workload or aircraft handling qualities rating (HQR) were observed. Results from recent aircraft handling qualities research literature, which support the compensation design approach, are also reviewed.

Crane, D. F.↗

NASA NTRS1989

Characterization of structural connections using free and forced response test data

The accurate prediction of system dynamic response often has been limited by deficiencies in existing capabilities to characterize connections adequately. Connections between structural components often are complex mechanically, and difficult to accurately model analytically. Improved analytical models for connections are needed to improve system dynamic preditions. A procedure for identifying physical connection properties from free and forced response test data is developed, then verified utilizing a system having both a linear and nonlinear connection. Connection properties are computed in terms of physical parameters so that the physical characteristics of the connections can better be understood, in addition to providing improved input for the system model. The identification procedure is applicable to multi-degree of freedom systems, and does not require that the test data be measured directly at the connection locations.

Lawrence, Charles↗

NASA NTRS1989

Characterization of structural connections using free and forced response test data

The accurate prediction of system dynamic response often has been limited by deficiencies in existing capabilities to characterize connections adequately. Connections between structural components often are complex mechanically, and difficult to accurately model analytically. Improved analytical models for connections are needed to improve system dynamic predictions. A procedure for identifying physical connection properties from free and forced response test data is developed, then verified utilizing a system having both a linear and nonlinear connection. Connection properties are computed in terms of physical parameters so that the physical characteristics of the connections can better be understood, in addition to providing improved input for the system model. The identification procedure is applicable to multi-degree of freedom systems, and does not require that the test data be measured directly at the connection locations.

Lawrence, C.↗

NASA NTRS1990

A game theoretic controller for a linear time-invariant system with parameter uncertainty and its application to the Space Station

A game theoretic controller is developed for a linear time-invariant system with parameter uncertainties in system and input matrices. The input-output decomposition modeling for the plant uncertainty is adopted. The uncertain dynamic system is represented as an internal feedback loop in which the system is assumed forced by fictitious disturbance caused by the parameter uncertainty. By considering the input and the fictitious disturbance as two noncooperative players, a differential game problem is constructed. It is shown that the resulting time invariant controller stabilizes the uncertain system for a prescribed uncertainty bound. This game theoretic controller is applied to the momentum management and attitude control of the Space Station in the presence of uncertainties in the moments of inertia. Inclusion of the external disturbance torque to the design procedure results in a dynamical feedback controller which consists of conventional PID control and cyclic disturbance rejection filter. It is shown that the game theoretic design, comparing to the LQR design or pole placement design, improves the stability robustness with respect to inertia variations.

Rhee, Ihnseok↗