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At least 253 records · Page 14

Modeling Chemical Reactions in Classical Molecular Dynamics Simulations

An algorithm capable of incorporating multi-step reaction mechanisms into atomistic molecular dynamics (MD) simulations using traditional fixed valence force fields is proposed and implemented within the framework of LAMMPS (Large-scale Atomic Molecular Massively Parallel Simulator). This extension, referred to as fix bond/react, enables bonding topology modifications during a running MD simulation using pre- and post-reaction bonding templates to carry out a pre-specified reaction. Candidate reactants are first identified by interatomic separation, followed by the application of a generalized topology matching algorithm to confirm they match the pre-reaction template. This is followed by a topology conversion to match the post-reaction template and a dynamic relaxation to minimize high energy configurations. Two case studies, the condensation polymerization of nylon 6,6 and the formation of a highly-crosslinked epoxy, are simulated to demonstrate the robustness, stability, and speed of the algorithm. Improvements which could increase its utility are discussed.

Jacob R Gissinger↗

Gust Load Alleviation Control and Gust Estimation for a High Aspect Ratio Wing Wind Tunnel Model

This paper presents the gust load alleviation (GLA) study of the aspect ratio 13.5 Common Research Model (CRM) wind-tunnel model. This study details the design of the GLA controller in preparation for wind-tunnel testing in the Transonic Dynamics Tunnel at NASA Langley Research Center. An aeroservolastic (ASE) model was first reduced using a model reduction method that takes advantage of the sinusoidal steady-state response. Then, the reduced model was used to design an extended-state Kalman filter which estimates the states and the sinusoidal gust input. The GLA control was then derived using the optimal control solution to a multi-objective cost function. The results of the GLA controller indicate a 75.6% reduction in wing-root strain while maintaining robust stability margins. The final paper will include performance under sub-optimal conditions, e.g., sensor noise, uncertainty in gust frequency, etc..

Christopher Forte↗

Gust Load Alleviation Control and Gust Estimation for a High Aspect Ratio Wing Wind Tunnel Model

This paper presents the gust load alleviation (GLA) study of the aspect ratio 13.5 Common Research Model (CRM) wind-tunnel model. This study details the design of the GLA controller in preparation for wind-tunnel testing in the Transonic Dynamics Tunnel at NASA Langley Research Center. An aeroservolastic (ASE) model is first reduced using a model reduction method that takes advantage of the sinusoidal steady-state response. Then, the reduced model is used to design an extended-state Kalman filter which estimates the states and the sinusoidal gust input. The GLA control is then derived using the optimal control solution to a multi-objective cost function. The results of the GLA controller indicate a 69.07% reduction in wing-root strain without sensor noise and 68.45% reduction with sensor noise, while maintaining robust stability margins. An adaptive GLA controller is developed for uncertain gust frequency and shows a 71.03% reduction in wing root strain compared to the non-adaptive control reduction of just 39.19%.

Christopher Forte↗

Designing for Flight Through Periods of Instability

For completeness, it is imperative that Flight Control System (FCS) designers use both complementary time and frequency domain techniques to address periods of instability. Use of standard frequency domain synthesis techniques alone may not always yield an FCS design with sufficient gain and phase stability robustness margins while simultaneously satisfying performance requirements.

Designing for Flight↗

Building Automation

In this chapter, we focus on both need-based and vision-based control innovation for building automation for HVAC systems. After providing a brief background that describes different HVAC architectures and products, we describe the control challenges and opportunities from a needs-based point of view, at the equipment level, the systems level, and the building level. At the equipment level, increased use of continuously variable actuation such as variable speed compressors and fans, requires application of robust multivariable control that must consider various types of nonlinear behavior across increasingly larger operating envelopes. The objective at this level is to achieve robust and energy efficient operation. At the system level, coupled and interactive dynamics among subsystems are increasingly important to consider, and functional integration of these subsystems, along with set points and operating schedules are designed to minimize energy consumption and improve occupant comfort. At the building level, issues such as integration among other building systems, such as the building envelope and the electric grid, offer opportunities to develop new types of demand response and grid-interactive behaviors and technologies. At the higher levels, system dynamics and robust stability are less of an issue, similar to process control applications, while optimization and integration are more important, although dynamic stability is increasing an issue at the higher levels too. From a vision-driven innovation point of view, we describe three areas that will require sustained research efforts and will eventually impact building automation: Digital Twins, Model Predictive Control, and Grid Interactive Buildings.

Bortoff, Scott↗

Robust Power System Stability Assessment Against Adversarial Machine Learning-Based Cyberattacks via Online Purification

The increasing complexity associated with renewable generation brings more challenges to power system stability assessment (SA). Data-driven approaches based on machine learning (ML) techniques for stability assessment have received significant research interest and shown their promising performance. However, ML-based models are recognized to be vulnerable to adversarial disturbances, where a slight perturbation to power system measurements could lead to unacceptable errors. To address this issue, this paper develops a novel lightweight mitigation strategy, i.e., robust online stability assessment (ROSA), to enhance the ML-based assessment model against both white-box and the black-box adversarial disturbances (i.e., purification) in the online implementation. The ROSA involves a supervised learning-based module for the primary stability assessment and a self-supervised learning-based module. Further, the two modules are trained jointly with different objective (loss) functions and implemented in sequence. A suitable purification objective and various time-series data augmentation methods are designed for SA applications to tackle adversarial disturbances adaptively. Case studies are performed, and the comparative results have clearly illustrated the competitive, robust accuracy against various adversarial scenarios and verified the effectiveness of the proposed online purification strategy.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Robustness analysis applied to substructure controller synthesis

The stability and robustness of the controlled system obtained via the substructure control synthesis (SCS) method of Su et al. (1990) were examined using a six-bay truss model, and employing an LQG control design method to obtain controllers for two separate structures. It is found that the assembled controller provides a stability in this instance. A qualitative assessment of the stability robustness of the system with controller designed with the SCS method is provided by obtaining a controller using the complete truss model and comparing the robustness of the corresponding closed-loop systems.

Gonzalez-Oberdoerffer, Marcelo F.↗

Assessing the Robustness of Arctic Sea Ice Bi‐Stability in the Presence of Atmospheric Feedbacks

Abstract Arctic sea‐ice loss is influenced by multiple positive feedbacks, sparking concerns of accelerated loss in the coming years or even a tipping point, where a sea‐ice equilibrium disappears at a given CO 2 value and sea ice rapidly evolves to a new steady state. Such a tipping point would imply a bi‐stability of the Arctic climate—where multiple steady‐state Arctic climates are possible at the same CO 2 value. Previous works have sought to establish the existence of bi‐stability using a range of models, from zero‐dimensional sea ice thermodynamic models to fully coupled global climate models, with conflicting results. Here, we present a new model of the Arctic that includes both sea‐ice thermodynamics and key atmospheric feedbacks in a simple framework. We exploit the model's simplicity to identify physical mechanisms that control the timing and extent of sea‐ice bi‐stability, and the abruptness of ice loss. We show that longwave radiation feedbacks can have a strong influence on Arctic surface climate from atmospheric temperature increases alone, even without major contributions from clear‐sky moisture or convective clouds suggested previously. While winter sea‐ice bi‐stability is robust to changes in uncertain model parameters in this study, summer sea ice is more sensitive. Finally, our model indicates that positive feedbacks may modulate the CO 2 threshold of sea‐ice loss and the width of bi‐stability much more strongly than the abruptness of loss. These results lead to a comprehensive understanding of the conditions that favor Arctic sea‐ice bi‐stability, particularly the role of atmospheric feedbacks, in both future and past climates.

Meteorology & Atmospheric Sciences↗

Adaptive control: Stability, convergence, and robustness

The deterministic theory of adaptive control (AC) is presented in an introduction for graduate students and practicing engineers. Chapters are devoted to basic AC approaches, notation and fundamental theorems, the identification problem, model-reference AC, parameter convergence using averaging techniques, and AC robustness. Consideration is given to the use of prior information, the global stability of indirect AC schemes, multivariable AC, linearizing AC for a class of nonlinear systems, AC of linearizable minimum-phase systems, and MIMO systems decouplable by static state feedback.

Sastry, Shankar↗

Optimal Power Flow in DC Networks with Robust Feasibility and Stability Guarantees

With high penetrations of renewable generation and variable loads, there is significant uncertainty associated with power flows in DC networks such that stability and operational constraint satisfaction are of concern. Most existing DC network optimal power flow (DN-OPF) formulations assume exact knowledge of loading conditions and do not provide stability guarantees. Here, in contrast, this paper studies a DN-OPF formulation which considers both stability and operational constraint satisfaction under uncertainty. The need to account for a range of uncertainty realizations in this paper's robust optimization formulation results in a challenging semi-infinite program (SIP). The proposed solution algorithm reformulates this SIP into a computationally tractable problem by constructing a tight convex inner approximation of the stability set using sufficient conditions for the existence of a feasible and stable power flow solution. Optimal generator set-points are obtained by optimizing over the proposed convex stability set. The validity and effectiveness of the propose algorithm is demonstrated through various DC networks adapted from IEEE test cases.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Robustness of adaptive control algorithms in the presence of unmodeled dynamics

This paper reports the outcome of an exhaustive analytical and numerical investigation of stability and robustness properties of a wide class of adaptive control algorithms in the presence of unmodeled dynamics and output disturbances. The class of adaptive algorithms considered are those commonly referred to as model-reference adaptive control algorithms, self-tuning controllers, and dead-beat adaptive controllers; they have been developed for both continuous-time systems and discrete-time systems. The existing adaptive control algorithms have been proven to be globally asymptotically stable under certain assumptions, the key ones being (1) that the number of poles and zeroes of the unknown plant are known, and (2) that the primary performance criterion is related to good command following. These theoretical assumptions are too restrictive from an engineering point of view. Real plants always contain unmodeled high-frequency dynamics and small delays, and hence no upper bound on the number of the plant poles and zeroes exists. Also real plants are always subject to unmeasurable output additive disturbances, although these may be guide small. Hence, it is important to critically examine the stability robustness properties of the existing adaptive algorithms when some of the theoretical assumptions are removed; in particular, their stability and performance properties in the presence of unmodeled dynamics and output disturbances. Previously announced in STAR as N83-16061

Rohrs, C. E.↗

Photocathode characterisation for robust PICOSEC Micromegas precise-timing detectors

The PICOSEC Micromegas detector is a precise-timing gaseous detector based on a Cherenkov radiator coupled with a semi-transparent photocathode and a Micromegas amplifying structure, targeting a time resolution of tens of picoseconds for minimum ionising particles. Initial single-pad prototypes have demonstrated a time resolution below σ = 25 ps, prompting ongoing developments to adapt the concept for High Energy Physics applications, where sub-nanosecond precision is essential for event separation, improved track reconstruction and particle identification. The achieved performance is being transferred to robust multi-channel detector modules suitable for large-area detection systems requiring excellent timing precision. To enhance the robustness and stability of the PICOSEC Micromegas detector, research on robust carbon-based photocathodes, including Diamond-Like Carbon (DLC) and Boron Carbide (B 4 C), is pursued. Results from prototypes equipped with DLC and B 4 C photocathodes exhibited a time resolution of σ ≈ 32 ps and σ ≈ 34.5 ps, respectively. Efforts dedicated to improve detector robustness and stability enhance the feasibility of the PICOSEC Micromegas concept for large experiments, ensuring sustained performance while maintaining excellent timing precision.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A Monte Carlo approach to the analysis of control system robustness

Stochastic robustness, a simple technique used to estimate the stability and performance robustness of linear, time-invariant systems, is described. The scalar probability of instability is introduced as a measure of stability robustness. Examples are given of stochastic performance robustness measures based on classical time-domain specifications. The relationship between stochastic robustness measures and control system design parameters is discussed. The technique is demonstrated by analyzing an LQG/LTR system designed for a flexible robot arm. It is concluded that the analysis of stochastic robustness offers a good alternative to existing robustness metrics.

Ray, Laura R.↗

Model Predictive Control for Urban Traffic Signals with Stability Guarantees

Traditional traffic signal control focuses more on the optimization aspects whereas the stability and robustness of the closed-loop system are less studied. This paper aims to establish the stability properties of traffic signal control systems through the analysis of a practical model predictive control (MPC) scheme, which models the traffic network with the conservation of vehicles based on a store-and forward model and attempts to balance the traffic densities. More precisely, this scheme guarantees the exponential stability of the closed-loop system under state and input constraints when the inflow is feasible and traffic demand can be fully accessed. Practical exponential stability is achieved in case of small uncertain traffic demand by a modification of the previous scheme. Simulation results of a small-scale traffic network validate the theoretical analysis.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗

Upscaling of asymmetric hollow fiber‐supported thin film membranes for oxygen separation from air: Proof of concept

Abstract Hollow fiber membranes demonstrate various advantages for high performance oxygen separation. However, the small diameters of hollow fibers and the brittleness of ceramics limit their mechanical strength, imposing great difficulties on stack and module development. Gas‐tight sealing is another challenge for upscaling of hollow fiber membrane technology. Low temperature sealant materials of epoxy resin or silicon are typically used for hollow fiber stacks, requiring that the sealing portions be located out of hot zone. Consequently, only partial length of hollow fibers participates in oxygen permeation. In this study, upscaling of our recently developed asymmetric hollow fiber‐supported thin film membranes is conducted, where individual hollow fibers are assembled in parallel to form a stack. A reliable gas‐tight sealing is obtained by combining ceramic paste with conductive adhesive ink cohesively. Comprehensive oxygen permeation test is conducted with the sealing portions being in hot zone and compared with a single hollow fiber membrane. Fundamental mechanism is discussed to understand the performances and their differences. An accelerated long‐term test (∼320 h, 16 thermal cycles) demonstrates excellent stability and robustness of the stack and sealing. The characterization of post‐test samples further confirms excellent stability and robustness of the phases and microstructures of the stack.

36 MATERIALS SCIENCE↗