Bayesian Optimization of Target Buckling Shapes in Constrainted Elastomeric Beams With Geometric Uncertainty

2021 ◽  
Author(s):  
Nathan Hertlein ◽  
David Yoo ◽  
Philip Buskohl ◽  
Kumar Vemaganti ◽  
Sam Anand
Author(s):  
Nathan Hertlein ◽  
David Yoo ◽  
Philip R. Buskohl ◽  
Kumar Vemaganti ◽  
Sam Anand

Abstract Additive manufacturing has enabled the fabrication of complex, architected materials, which have shown great promise in fields such as acoustics, mechanical logic gates, and energy trapping, due to their unique properties derived from repeating unit cells. The force-displacement performance of one such unit cell, the bistable elastomeric beam, has been characterized experimentally and subsequently tuned by the introduction of a Fourier series-based design parameterization that enables a wider range of available energy performance characteristics and secondary stable configurations. Here, another characteristic of this beam that has not yet been explored, namely the shape during post-buckling deformation between the two stable states, is optimized under the same Fourier series-based parameterization. Nonlinear finite element analysis reveals that the performance is highly sensitive to even modest profile error incurred on the beam’s upper and lower sides during manufacturing. Various methods of quantifying performance are compared, and Bayesian optimization is employed in two case studies to achieve desired post-buckled shapes. A novel acquisition function, which considers a candidate design’s robustness to profile error, is used to find the design that achieves the desired performance consistently, even in the face of the variability associated with additive manufacturing. Finally, Monte Carlo simulations are used to quantify the performance of optimal beams found with and without the new acquisition function, and reveal the importance of considering geometric uncertainty during the optimization process.


2020 ◽  
Author(s):  
Jon Uranga ◽  
Lukas Hasecke ◽  
Jonny Proppe ◽  
Jan Fingerhut ◽  
Ricardo A. Mata

The 20S Proteasome is a macromolecule responsible for the chemical step in the ubiquitin-proteasome system of degrading unnecessary and unused proteins of the cell. It plays a central role both in the rapid growth of cancer cells as well as in viral infection cycles. Herein, we present a computational study of the acid-base equilibria in an active site of the human proteasome, an aspect which is often neglected despite the crucial role protons play in the catalysis. As example substrates, we take the inhibition by epoxy and boronic acid containing warheads. We have combined cluster quantum mechanical calculations, replica exchange molecular dynamics and Bayesian optimization of non-bonded potential terms in the inhibitors. In relation to the latter, we propose an easily scalable approach to the reevaluation of non-bonded potentials making use of QM/MM dynamics information. Our results show that coupled acid-base equilibria need to be considered when modeling the inhibition mechanism. The coupling between a neighboring lysine and the reacting threonine is not affected by the presence of the inhibitor.


2021 ◽  
pp. 027836492110333
Author(s):  
Gilhyun Ryou ◽  
Ezra Tal ◽  
Sertac Karaman

We consider the problem of generating a time-optimal quadrotor trajectory for highly maneuverable vehicles, such as quadrotor aircraft. The problem is challenging because the optimal trajectory is located on the boundary of the set of dynamically feasible trajectories. This boundary is hard to model as it involves limitations of the entire system, including complex aerodynamic and electromechanical phenomena, in agile high-speed flight. In this work, we propose a multi-fidelity Bayesian optimization framework that models the feasibility constraints based on analytical approximation, numerical simulation, and real-world flight experiments. By combining evaluations at different fidelities, trajectory time is optimized while the number of costly flight experiments is kept to a minimum. The algorithm is thoroughly evaluated for the trajectory generation problem in two different scenarios: (1) connecting predetermined waypoints; (2) planning in obstacle-rich environments. For each scenario, we conduct both simulation and real-world flight experiments at speeds up to 11 m/s. Resulting trajectories were found to be significantly faster than those obtained through minimum-snap trajectory planning.


Author(s):  
Lincan Fang ◽  
Esko Makkonen ◽  
Milica Todorović ◽  
Patrick Rinke ◽  
Xi Chen

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