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At least 721 records · Page 40

Nonequilibrium steady state and heat transport in nonlinear open quantum systems: Stochastic influence action and functional perturbative analysis

In this paper, we show that a nonequilibrium steady state (NESS) exists at late times in open quantum systems with weak nonlinearity by following its nonequilibrium dynamics with a perturbative analysis. We consider an oscillator chain containing three-types of anharmonicity: cubic α- and quartic β-type Fermi–Pasta–Ulam–Tsingou (FPUT) nearest-oscillator interactions and the on-site (pinned) Klein–Gordon (KG) quartic self-interaction. Assuming weak nonlinearity, we introduce a stochastic influence action approach to the problem and obtain the energy flows in different junctures across the chain. The formal results obtained here can be used for quantum transport problems in weakly nonlinear quantum systems. For α-type anharmonicity, we observe that the first-order corrections do not play any role in the thermal transport in the NESS of the configuration we considered. For KG and β-types anharmonicity, we work out explicitly the case of two weakly nonlinearly coupled oscillators, with results scalable to any number of oscillators. We examine the late-time energy flows from one thermal bath to the other via the coupled oscillators, and show that both the zeroth- and the first-order contributions of the energy flows become constant in time at late times, signaling the existence of a late-time NESS to first order in nonlinearity. Our perturbative calculations provide a measure of the strength of nonlinearity for nonlinear open quantum systems, which may help control the mesoscopic heat transport distinct from or close to linear transport. Furthermore, our results also give a benchmark for the numerical challenge of simulating heat transport. Our setup and predictions can be implemented and verified by investigating heat flow in an array of Josephson junctions in the limit of large Josephson energy with the platform of circuit QED.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data-driven reduced-order models for port-Hamiltonian systems with operator inference

Hamiltonian operator inference has been developed in Sharma et al. (2022) to learn structure-preserving reduced-order models (ROMs) for Hamiltonian systems. The method constructs a low-dimensional model using only data and knowledge of the functional form of the Hamiltonian. The resulting ROMs preserve the intrinsic structure of the system, ensuring that the mechanical and physical properties of the system are maintained. In this work, we extend this approach to port-Hamiltonian systems, which generalize Hamiltonian systems by including energy dissipation, external input, and output. Based on snapshots of the system’s state and output, together with the information about the functional form of the Hamiltonian, reduced operators are inferred through optimization and are then used to construct data-driven ROMs. To further alleviate the complexity of evaluating nonlinear terms in the ROMs, a hyper-reduction method via discrete empirical interpolation is applied. Accordingly, we derive error estimates for the ROM approximations of the state and output. Lastly, we demonstrate the structure preservation, as well as the accuracy of the proposed port-Hamiltonian operator inference framework, through numerical experiments on a linear mass–spring-damper problem and a nonlinear Toda lattice problem.

97 MATHEMATICS AND COMPUTING↗

An adaptive grid algorithm for one-dimensional nonlinear equations

Richards' equation, which models the flow of liquid through unsaturated porous media, is highly nonlinear and difficult to solve. Step gradients in the field variables require the use of fine grids and small time step sizes. The numerical instabilities caused by the nonlinearities often require the use of iterative methods such as Picard or Newton interation. These difficulties result in large CPU requirements in solving Richards equation. With this in mind, adaptive and multigrid methods are investigated for use with nonlinear equations such as Richards' equation. Attention is focused on one-dimensional transient problems. To investigate the use of multigrid and adaptive grid methods, a series of problems are studied. First, a multigrid program is developed and used to solve an ordinary differential equation, demonstrating the efficiency with which low and high frequency errors are smoothed out. The multigrid algorithm and an adaptive grid algorithm is used to solve one-dimensional transient partial differential equations, such as the diffusive and convective-diffusion equations. The performance of these programs are compared to that of the Gauss-Seidel and tridiagonal methods. The adaptive and multigrid schemes outperformed the Gauss-Seidel algorithm, but were not as fast as the tridiagonal method. The adaptive grid scheme solved the problems slightly faster than the multigrid method. To solve nonlinear problems, Picard iterations are introduced into the adaptive grid and tridiagonal methods. Burgers' equation is used as a test problem for the two algorithms. Both methods obtain solutions of comparable accuracy for similar time increments. For the Burgers' equation, the adaptive grid method finds the solution approximately three times faster than the tridiagonal method. Finally, both schemes are used to solve the water content formulation of the Richards' equation. For this problem, the adaptive grid method obtains a more accurate solution in fewer work units and less computation time than required by the tridiagonal method. The performance of the adaptive grid method tends to degrade as the solution process proceeds in time, but still remains faster than the tridiagonal scheme.

Gutierrez, William E.↗

Data for KETCHUP: Parameterizing of Large-Scale Kinetic Models Using Multiple Datasets with Different Reference States

Repository for Kinetic Estimation Tool Capturing Heterogeneous Datasets Using Pyomo (KETCHUP), a flexible parameter estimation tool that leverages a primal-dual interior-point algorithm to solve a nonlinear programming (NLP) problem that identifies a set of parameters capable of recapitulating the steady-state fluxes and concentrations in wild-type and perturbed metabolic networks. KETCHUP can use K-FIT [2] input files. Example K-FIT input files are located in the K-FIT repository at https://github.com/maranasgroup/K-FIT.

Metabolomics↗

Modeling and equalization of nonlinear bandlimited satellite channels

The problem of modeling and equalization of a nonlinear satellite channel is considered. The channel is assumed to be bandlimited and exhibits both amplitude and phase nonlinearities. A discrete time satellite link is modeled under both uplink and downlink white Gaussian noise. Under conditions of practical interest, a simple and computationally efficient design technique for the minimum mean square error linear equalizer is presented. The bit error probability and some numerical results for a binary phase shift keyed (BPSK) system demonstrate that the proposed equalization technique outperforms standard linear receiver structures.

Konstantinides, K.↗

A fast approach to designing airfoils from given pressure distribution in compressible flows

A new inverse method for aerodynamic design of airfols is presented for subcritical flows. The pressure distribution in this method can be prescribed as a function of the arc length of the as-yet unknown body. This inverse problem is shown to be mathematically equivalent to solving only one nonlinear boundary value problem subject to known Dirichlet data on the boundary. The solution to this problem determines the airfoil, the freestream Mach number, and the upstream flow direction. The existence of a solution to a given pressure distribution is discussed. The method is easy to implement and extremely efficient. A series of results for which comparisons are made with the known airfoils is presented.

Daripa, Prabir↗

An efficient method for inverse problems

A new inverse method for aerodynamic design of subcritical airfoils is presented. The pressure distribution in this method can be prescribed in a natural way, i.e. as a function of arclength of the as yet unknown body. This inverse problem is shown to be mathematically equivalent to solving a single nonlinear boundary value problem subject to known Dirichlet data on the boundary. The solution to this problem determines the airfoil, the free stream Mach number M(sub x) and the upstream flow direction theta(sub x). The existence of a solution for any given pressure distribution is discussed. The method is easy to implement and extremely efficient. We present a series of results for which comparisons are made with the known airfoils.

Daripa, Prabir↗

Sub transitional and supersonic travelling field response in nonlinear viscoelastic media

This paper considers the problem of traveling fields in nonlinearly elastic and viscoelastic media. By introducing the appropriate hierarchical partitioning, the governing equations of motion are shown to be a continuum analogy of Duffing's equation. Through the use of a constrained perturbation procedure, the response behavior is obtained in sub, transitional as well as supersonic ranges of disturbance speed. Due to the generality of the approach taken, the effects of damping can be handled. To quantify the effects of material nonlinearity, strain softening and hardening are considered. Such behavior is quantified in general example problems.

Padovan, Joe↗

Recursive identification and tracking of parameters for linear and nonlinear multivariable systems

The problem of identifying constant and variable parameters in multi-input, multi-output, linear and nonlinear systems is considered, using the maximum likelihood approach. An iterative algorithm, leading to recursive identification and tracking of the unknown parameters and the noise covariance matrix, is developed. Agile tracking, and accurate and unbiased identified parameters are obtained. Necessary conditions for a globally, asymptotically stable identification process are provided; the conditions proved to be useful and efficient. Among different cases studied, the stability derivatives of an aircraft were identified and some of the results are shown as examples.

Sidar, M.↗

Construction of solutions for some nonlinear two-point boundary value problems

Constructive existence and uniqueness results for boundary value problems associated with some simple special cases of the second order equation y'' = f(x,y,y') 0 or = x or = 1, are sought. The approach considered is to convert the differential equation and boundary conditions to an integral equation via Green's functions, and then to apply fixed point and contraction map principles to a sequence of successive approximations. The approach is tested on several applied problems. Difficulties in trying to prove general theorems are discussed.

Pennline, J. A.↗

Boundary layer stability calculations

In this paper numerical calculation of the spatial stability of disturbances in the parallel and nonparallel Blasius boundary layers is considered. Chebyshev polynomials are used for discretization. The problem with the boundary condition at infinity is overcome, and the resulting nonlinear matrix eigenvalue problem is attacked directly. The secondary eigenvalue problem for three-dimensional disturbances is shown to be uniformly stable, and particular solutions of this problem generated by the Orr-Sommerfeld equation are shown. A numerical solution of the nonparallel problem is considered using Chebyshev polynomials. The matrix equations are analyzed directly and the problem of uniqueness of the nonparallel correction is settled by careful application of the Fredholm alternative. Nonparallel corrections to the streamwise eigenfunction are shown.

Bridges, Thomas J.↗

Rao-Blackwellization for Adaptive Gaussian Sum Nonlinear Model Propagation

When dealing with imperfect data and general models of dynamic systems, the best estimate is always sought in the presence of uncertainty or unknown parameters. In many cases, as the first attempt, the Extended Kalman filter (EKF) provides sufficient solutions to handling issues arising from nonlinear and non-Gaussian estimation problems. But these issues may lead unacceptable performance and even divergence. In order to accurately capture the nonlinearities of most real-world dynamic systems, advanced filtering methods have been created to reduce filter divergence while enhancing performance. Approaches, such as Gaussian sum filtering, grid based Bayesian methods and particle filters are well-known examples of advanced methods used to represent and recursively reproduce an approximation to the state probability density function (pdf). Some of these filtering methods were conceptually developed years before their widespread uses were realized. Advanced nonlinear filtering methods currently benefit from the computing advancements in computational speeds, memory, and parallel processing. Grid based methods, multiple-model approaches and Gaussian sum filtering are numerical solutions that take advantage of different state coordinates or multiple-model methods that reduced the amount of approximations used. Choosing an efficient grid is very difficult for multi-dimensional state spaces, and oftentimes expensive computations must be done at each point. For the original Gaussian sum filter, a weighted sum of Gaussian density functions approximates the pdf but suffers at the update step for the individual component weight selections. In order to improve upon the original Gaussian sum filter, Ref. [2] introduces a weight update approach at the filter propagation stage instead of the measurement update stage. This weight update is performed by minimizing the integral square difference between the true forecast pdf and its Gaussian sum approximation. By adaptively updating each component weight during the nonlinear propagation stage an approximation of the true pdf can be successfully reconstructed. Particle filtering (PF) methods have gained popularity recently for solving nonlinear estimation problems due to their straightforward approach and the processing capabilities mentioned above. The basic concept behind PF is to represent any pdf as a set of random samples. As the number of samples increases, they will theoretically converge to the exact, equivalent representation of the desired pdf. When the estimated qth moment is needed, the samples are used for its construction allowing further analysis of the pdf characteristics. However, filter performance deteriorates as the dimension of the state vector increases. To overcome this problem Ref. [5] applies a marginalization technique for PF methods, decreasing complexity of the system to one linear and another nonlinear state estimation problem. The marginalization theory was originally developed by Rao and Blackwell independently. According to Ref. [6] it improves any given estimator under every convex loss function. The improvement comes from calculating a conditional expected value, often involving integrating out a supportive statistic. In other words, Rao-Blackwellization allows for smaller but separate computations to be carried out while reaching the main objective of the estimator. In the case of improving an estimator's variance, any supporting statistic can be removed and its variance determined. Next, any other information that dependents on the supporting statistic is found along with its respective variance. A new approach is developed here by utilizing the strengths of the adaptive Gaussian sum propagation in Ref. [2] and a marginalization approach used for PF methods found in Ref. [7]. In the following sections a modified filtering approach is presented based on a special state-space model within nonlinear systems to reduce the dimensionality of the optimization problem in Ref. [2]. First, the adaptive Gaussian sum propagation is explained and then the new marginalized adaptive Gaussian sum propagation is derived. Finally, an example simulation is presented.

state estimation↗

Boundary-value problem of configurations with compressible free vortex flow

A self-consistent version of the compressible boundary-value problem for configurations with leading-edge vortex separation is formulated, based on the assumption that the compressible flow field is controlled by the linearized potential equation. The stream surface boundary condition and the zero pressure jump condition of the compressible free vortex flows are analyzed; application of the Goethert rule permits the compressible nonlinear boundary-value problem for the subsonic flow domain to be transformed into an equivalent nonlinear incompressible problem. The compressibility corrections developed are used in numerical calculations of subsonic leading-edge vortex flows about planar wing geometries. The sample calculations, employing an inviscid flow model in which the wing and vortex sheets are represented by piecewise continuous quadratic doublet sheet distributions, are applicable to high subsonic Mach numbers.

Brune, G. W.↗

Network-Level Optimization for Unbalanced Power Distribution System: Approximation and Relaxation

The nonlinear programming (NLP) problem to solve distribution-level optimal power flow (D-OPF) poses convergence issues and does not scale well for unbalanced distribution systems. The existing scalable D-OPF algorithms either use approximations that are not valid for an unbalanced power distribution system, or apply relaxation techniques to the nonlinear power flow equations that do not guarantee a feasible power flow solution. In this paper, we propose scalable D-OPF algorithms that simultaneously achieve optimal and feasible solutions by solving multiple iterations of approximate, or relaxed, D-OPF subproblems of low complexity. The first algorithm is based on a successive linear approximation of the nonlinear power flow equations around the current operating point, where the D-OPF solution is obtained by solving multiple iterations of a linear programming (LP) problem. The second algorithm is based on the relaxation of the nonlinear power flow equations as conic constraints together with directional constraints, which achieves optimal and feasible solutions over multiple iterations of a second-order cone programming (SOCP) problem. Finally, it is demonstrated that the proposed algorithms are able to reach an optimal and feasible solution while significantly reducing the computation time as compared to an equivalent NLPD-OPF model for the same distribution system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Mixed-Integer Linear Programming Formulation with Embedded Machine Learning Surrogates for the Design of Chemical Process Families

In previous work, we introduced process family design. The main idea is to design a platform of common elements, and, allowing us to capture additional cost savings, simultaneously design a family of processes, and reducing both engineering and deployment timelines. We formulate this as an optimization problem, specifically a nonlinear generalized disjunctive program (GDP). We have proposed two approaches for reformulating and solving this problem: one based on full-discretization of the design space and one that uses Machine Learning (ML) surrogates to replace the nonlinear process models. Using ML surrogates to predict required system costs and performance indicators allows us to reformulate the nonlinearities in the GDP generate an efficient MILP formulation. In this work, we apply the ML surrogate approach to two case studies. One case study involves designing a family of carbon capture systems to cover a set of different flue gas flow rates and inlet CO 2 concentrations, where we consider the absorber and stripper as common unit module types. The second case study focuses on a water-desalination process, where we design a family of these processes for a variety of salt concentrations and flow rates. In both of these case studies, we demonstrate a scalable optimization approach that enables the design of multiple processes simultaneously, reducing the time-to-market and overall costs by maximizing the cost savings due to both economies of scale and economies of numbers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Contributions to the understanding of large-scale coherent structures in developing free turbulent shear flows

The physical problem of large-scale coherent structures in real, developing free turbulent shear flows are discussed from the point of view of a broader interpretation of the nonlinear aspects of hydrodynamic stability. Variations on the Amsden and Harlow problem are considered, and the role of linear theory in nonlinear problems is addressed. Spatially developing two-dimensional coherent structures and three-dimensional nonlinear effects in large-scale coherent mode interactions are considered.

Liu, J. T. C.↗

Analysis and control of hourglass instabilities in underintegrated linear and nonlinear elasticity

Methods are described to identify and correct a bad finite element approximation of the governing operator obtained when under-integration is used in numerical code for several model problems: the Poisson problem, the linear elasticity problem, and for problems in the nonlinear theory of elasticity. For each of these problems, the reason for the occurrence of instabilities is given, a way to control or eliminate them is presented, and theorems of existence, uniqueness, and convergence for the given methods are established. Finally, numerical results are included which illustrate the theory.

Jacquotte, Olivier P.↗