Sum-of-Squares approach to feedback control of laminar wake flows

A novel nonlinear feedback control design methodology for incompressible fluid flows aiming at the optimisation of long-time averages of flow quantities is presented. It applies to reduced-order finite-dimensional models of fluid flows, expressed as a set of first-order nonlinear ordinary differential equations with the right-hand side being a polynomial function in the state variables and in the controls. The key idea, first discussed in Chernyshenko et al. 2014, Philos. T. Roy. Soc. 372(2020), is that the difficulties of treating and optimising long-time averages of a cost are relaxed by using the upper/lower bounds of such averages as the objective function. In this setting, control design reduces to finding a feedback controller that optimises the bound, subject to a polynomial inequality constraint involving the cost function, the nonlinear system, the controller itself and a tunable polynomial function. A numerically tractable approach to the solution of such optimisation problems, based on Sum-of-Squares techniques and semidefinite programming, is proposed. To showcase the methodology, the mitigation of the fluctuation kinetic energy in the unsteady wake behind a circular cylinder in the laminar regime at Re=100, via controlled angular motions of the surface, is numerically investigated. A compact reduced-order model that resolves the long-term behaviour of the fluid flow and the effects of actuation, is derived using Proper Orthogonal Decomposition and Galerkin projection. In a full-information setting, feedback controllers are then designed to reduce the long-time average of the kinetic energy associated with the limit cycle. These controllers are then implemented in direct numerical simulations of the actuated flow. Control performance, energy efficiency, and physical control mechanisms identified are analysed. Key elements, implications and future work are discussed

An efficient computational framework for naval shape design and optimization problems by means of data-driven reduced order modeling techniques

This contribution describes the implementation of a data-driven shape optimization pipeline in a naval architecture application. We adopt reduced order models in order to improve the efficiency of the overall optimization, keeping a modular and equation-free nature to target the industrial demand. We applied the above mentioned pipeline to a realistic cruise ship in order to reduce the total drag. We begin by defining the design space, generated by deforming an initial shape in a parametric way using free form deformation. The evaluation of the performance of each new hull is determined by simulating the flux via finite volume discretization of a two-phase (water and air) fluid. Since the fluid dynamics model can result very expensive---especially dealing with complex industrial geometries---we propose also a dynamic mode decomposition enhancement to reduce the computational cost of a single numerical simulation. The real-time computation is finally achieved by means of proper orthogonal decomposition with Gaussian process regression technique. Thanks to the quick approximation, a genetic optimization algorithm becomes feasible to converge towards the optimal shape

A Perturbative Density Matrix Renormalization Group Algorithm for Large Active Spaces

We describe a low cost alternative to the standard variational DMRG (density matrix renormalization group) algorithm that is analogous to the combination of selected configuration interaction plus perturbation theory (SCI+PT). We denote the resulting method p-DMRG (perturbative DMRG) to distinguish it from the standard variational DMRG. p-DMRG is expected to be useful for systems with very large active spaces, for which variational DMRG becomes too expensive. Similar to SCI+PT, in p-DMRG a zeroth-order wavefunction is first obtained by a standard DMRG calculation, but with a small bond dimension. Then, the residual correlation is recovered by a second-order perturbative treatment. We discuss the choice of partitioning for the perturbation theory, which is crucial for its accuracy and robustness. To circumvent the problem of a large bond dimension in the first-order wavefunction, we use a sum of matrix product states (MPS) to expand the first-order wavefunction, yielding substantial savings in computational cost and memory. We also propose extrapolation schemes to reduce the errors in the zeroth- and first-order wavefunctions. Numerical results for Cr 2 with a (28e,76o) active space and 1,3-butadiene with a (22e,82o) active space reveal that p-DMRG provides ground state energies of a similar quality to variational DMRG with very large bond dimensions, but at a significantly lower computational cost. This suggests that p-DMRG will be an efficient tool for benchmark studies in the future

Parametrized reduced order modeling for cracked solids

A parametrized reduced order modeling methodology for cracked two dimensional solids is presented, where the parameters correspond to geometric properties of the crack, such as location and size. The method follows the offline‐online paradigm, where in the offline, training phase, solutions are obtained for a set of parameter values, corresponding to specific crack configurations and a basis for a lower dimensional solution space is created. Then in the online phase, this basis is used to obtain solutions for configurations that do not lie in the training set. The use of the same basis for different crack geometries is rendered possible by defining a reference configuration and employing mesh morphing to map the reference to different target configurations. To enable the application to complex geometries, a mesh morphing technique is introduced, based on inverse distance weighting, which increases computational efficiency and allows for special treatment of boundaries. Applications in linear elastic fracture mechanics are considered, with the extended finite element method being used to represent discontinuous and asymptotic fields.ISSN:1097-0207ISSN:0029-598

QuantumATK: An integrated platform of electronic and atomic-scale modelling tools

QuantumATK is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers. While different aspects and individual modules of the platform have been previously presented, the purpose of this paper is to give a general overview of the platform. The QuantumATK simulation engines enable electronic-structure calculations using density functional theory or tight-binding model Hamiltonians, and also offers bonded or reactive empirical force fields in many different parametrizations. Density functional theory is implemented using either a plane-wave basis or expansion of electronic states in a linear combination of atomic orbitals. The platform includes a long list of advanced modules, including Green's-function methods for electron transport simulations and surface calculations, first-principles electron-phonon and electron-photon couplings, simulation of atomic-scale heat transport, ion dynamics, spintronics, optical properties of materials, static polarization, and more. Seamless integration of the different simulation engines into a common platform allows for easy combination of different simulation methods into complex workflows. Besides giving a general overview and presenting a number of implementation details not previously published, we also present four different application examples. These are calculations of the phonon-limited mobility of Cu, Ag and Au, electron transport in a gated 2D device, multi-model simulation of lithium ion drift through a battery cathode in an external electric field, and electronic-structure calculations of the composition-dependent band gap of SiGe alloys.Comment: Submitted to Journal of Physics: Condensed Matte

ADVANCES IN SYSTEM RELIABILITY-BASED DESIGN AND PROGNOSTICS AND HEALTH MANAGEMENT (PHM) FOR SYSTEM RESILIENCE ANALYSIS AND DESIGN

Failures of engineered systems can lead to significant economic and societal losses. Despite tremendous efforts (e.g., $200 billion annually) denoted to reliability and maintenance, unexpected catastrophic failures still occurs. To minimize the losses, reliability of engineered systems must be ensured throughout their life-cycle amidst uncertain operational condition and manufacturing variability. In most engineered systems, the required system reliability level under adverse events is achieved by adding system redundancies and/or conducting system reliability-based design optimization (RBDO). However, a high level of system redundancy increases a system's life-cycle cost (LCC) and system RBDO cannot ensure the system reliability when unexpected loading/environmental conditions are applied and unexpected system failures are developed. In contrast, a new design paradigm, referred to as resilience-driven system design, can ensure highly reliable system designs under any loading/environmental conditions and system failures while considerably reducing systems' LCC. In order to facilitate the development of formal methodologies for this design paradigm, this research aims at advancing two essential and co-related research areas: Research Thrust 1 - system RBDO and Research Thrust 2 - system prognostics and health management (PHM). In Research Thrust 1, reliability analyses under uncertainty will be carried out in both component and system levels against critical failure mechanisms. In Research Thrust 2, highly accurate and robust PHM systems will be designed for engineered systems with a single or multiple time-scale(s). To demonstrate the effectiveness of the proposed system RBDO and PHM techniques, multiple engineering case studies will be presented and discussed. Following the development of Research Thrusts 1 and 2, Research Thrust 3 - resilience-driven system design will establish a theoretical basis and design framework of engineering resilience in a mathematical and statistical context, where engineering resilience will be formulated in terms of system reliability and restoration and the proposed design framework will be demonstrated with a simplified aircraft control actuator design problem

Fast calculation of multiobjective probability of improvement and expected improvement criteria for Pareto optimization

The use of surrogate based optimization (SBO) is widely spread in engineering design to reduce the number of computational expensive simulations. However, "real-world" problems often consist of multiple, conflicting objectives leading to a set of competitive solutions (the Pareto front). The objectives are often aggregated into a single cost function to reduce the computational cost, though a better approach is to use multiobjective optimization methods to directly identify a set of Pareto-optimal solutions, which can be used by the designer to make more efficient design decisions (instead of weighting and aggregating the costs upfront). Most of the work in multiobjective optimization is focused on multiobjective evolutionary algorithms (MOEAs). While MOEAs are well-suited to handle large, intractable design spaces, they typically require thousands of expensive simulations, which is prohibitively expensive for the problems under study. Therefore, the use of surrogate models in multiobjective optimization, denoted as multiobjective surrogate-based optimization, may prove to be even more worthwhile than SBO methods to expedite the optimization of computational expensive systems. In this paper, the authors propose the efficient multiobjective optimization (EMO) algorithm which uses Kriging models and multiobjective versions of the probability of improvement and expected improvement criteria to identify the Pareto front with a minimal number of expensive simulations. The EMO algorithm is applied on multiple standard benchmark problems and compared against the well-known NSGA-II, SPEA2 and SMS-EMOA multiobjective optimization methods