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Uncertainty Quantification (UQ) is a key discipline for computational modeling of complex systems, enhancing reliability of engineering simulations. In crashworthiness, having an accurate assessment of the behavior of the model uncertainty allows reducing the number of prototypes and associated costs. Carrying out UQ in this framework is especially challenging because it requires highly expensive simulations. In this context, surrogate models (metamodels) allow drastically reducing the computational cost of Monte Carlo process. Different techniques to describe the metamodel are considered, Ordinary Kriging, Polynomial Response Surfaces and a novel strategy (based on Proper Generalized Decomposition) denoted by Separated Response Surface (SRS). A large number of uncertain input parameters may jeopardize the efficiency of the metamodels. Thus, previous to define a metamodel, kernel Principal Component Analysis (kPCA) is found to be effective to simplify the model outcome description. A benchmark crash test is used to show the efficiency of combining metamodels with kPCA.

By using four layered graphene/gallium nitride (GaN) Schottky diodes with an undoped GaN spacer, we demonstrate highly effective gating of graphene at low bias rendering this type of structure very promising for potential applications. An observed Raman G band position shift larger than 8.5 cm-1 corresponds to an increase in carrier concentration of about 1.2x10^13 cm-2. The presence of a distinct G band splitting together with a narrow symmetric 2D band indicates turbostratic layer stacking and suggests the presence of a high potential gradient near the Schottky junction even at zero bias. The subbands characterized by the highest Raman energies correspond to the largest concentration of electrons. An analysis based on electroreflectance measurements and a modified Richardson equation confirmed that graphene on n-GaN separated by an undoped GaN spacer behaves like a capacitor at reverse bias. At least 60% of G subband position shifts occur at forward bias, which is related to a rapid reduction of electric field near the Schottky junction. Raman micromapping shows a high uniformity of gating efficiency on the surface. Therefore, our studies demonstrate the usefulness of few layer turbostratic graphene deposited on GaN for tracing electron-phonon coupling in graphene. Multilayer graphene also provides uniform and stable electric contacts. Moreover, the observed bias sensitive G band splitting can be used as an indicator of charge transfer in sensor applications in the low bias regime.

We consider an initial-boundary value problem for the $n$-dimensional wave equation with the variable sound speed, $n\geq 1$. We construct three-level implicit in time and compact in space (three-point in each space direction) 4th order finite-difference schemes on the uniform rectangular meshes including their one-parameter (for $n=2$) and three-parameter (for $n=3$) families. We also show that some already known methods can be converted into such schemes. In a unified manner, we prove the conditional stability of schemes in the strong and weak energy norms together with the 4th order error estimate under natural conditions on the time step. We also transform an unconditionally stable 4th order two-level scheme suggested for $n=2$ to the three-level form, extend it for any $n\geq 1$ and prove its stability. We also give an example of a compact scheme for non-uniform in space and time rectangular meshes. We suggest simple fast iterative methods based on FFT to implement the schemes. A new effective initial guess to start iterations is given too. We also present promising results of numerical experiments., Comment: 25 pages, 2 figures, 7 tables

We examine the problem of optimal transport capacity expansion planning for a gas pipeline network to service the growing demand of gas-fired power plants that are increasingly used to provide base load, flexibility, and reserve generation for bulk electric system. The aim is to determine the minimal cost set of additional pipes and gas compressors that can be added to the network to provide the additional capacity to service future loads. This combinatorial optimization problem is initially formulated as a mixed-integer nonlinear program, which we then extend to account for the variability that is inherent to the demands of gas-fired electricity production and uncertainty in expected future loads. We consider here steady-state flow modeling while ensuring that the solution is feasible for all possible values of interval uncertainty in loads, which results in a challenging semi-infinite problem. We apply previously derived monotonicity properties that enable simplification of the problem to require constraint satisfaction in the two extremal scenarios only, and then formulate the robust gas pipeline network expansion planning problem using a mixed-integer second order cone formulation. We consider case studies on the Belgian network test case to examine the performance of the proposed approach., Comment: 8 pages

The majority of overland transport needs for crude petroleum and refined petroleum products are met using pipelines. Numerous studies have developed optimization methods for design of these systems in order to minimize construction costs while meeting capacity requirements. Here, we formulate problems to optimize the operations of existing single liquid commodity pipeline systems subject to physical flow and pump engineering constraints. The objectives are to maximize the economic value created for users of the system and to minimize operating costs. We present a general computational method for this class of continuous, non-convex nonlinear programs, and examine the use of pump operating settings and flow allocations as decision variables. The approach is applied to compute optimal operating regimes and perform engineering economic sensitivity analyses for a case study of a crude oil pipeline developed using publicly available data.

The Inertia Relief (IR) technique is widely used by industry and produces equilibrated loads allowing to analyze unconstrained systems without resorting to the more expensive full dynamic analysis. The main goal of this work is to develop a computational framework for the solution of unconstrained parametric structural problems with IR and the Proper Generalized Decomposition (PGD) method. First, the IR method is formulated in a parametric setting for both material and geometric parameters. A reduced order model using the encapsulated PGD suite is then developed to solve the parametric IR problem, circumventing the so-called curse of dimensionality. With just one offline computation, the proposed PGD-IR scheme provides a computational vademecum that contains all the possible solutions for a pre-defined range of the parameters. The proposed approach is nonintrusive and it is therefore possible to be integrated with commercial FE packages. The applicability and potential of the developed technique is shown using a three dimensional test case and a more complex industrial test case. The first example is used to highlight the numerical properties of the scheme, whereas the second example demonstrates the potential in a more complex setting and it shows the possibility to integrate the proposed framework within a commercial FE package. In addition, the last example shows the possibility to use the generalized solution in a multi-objective optimization setting.

We study necessary conditions for stability of a Numerov-type compact higher-order finite-difference scheme for the 1D homogeneous wave equation in the case of non-uniform spatial meshes. We first show that the uniform in time stability cannot be valid in any spatial norm provided that the complex eigenvalues appear in the associated mesh eigenvalue problem. Moreover, we prove that then the solution norm grows exponentially in time making the scheme strongly non-dissipative and therefore impractical. Numerical results confirm this conclusion. In addition, for some sequences of refining spatial meshes, an excessively strong condition between steps in time and space is necessary (even for the non-uniform in time stability) which is familiar for explicit schemes in the parabolic case., Comment: 6 pages

We consider compact finite-difference schemes of the 4th approximation order for an initial-boundary value problem (IBVP) for the $n$-dimensional non-homogeneous wave equation, $n\geq 1$. Their construction is accomplished by both the classical Numerov approach and alternative technique based on averaging of the equation, together with further necessary improvements of the arising scheme for $n\geq 2$. The alternative technique is applicable to other types of PDEs including parabolic and time-dependent Schr\"{o}dinger ones. The schemes are implicit and three-point in each spatial direction and time and include a scheme with a splitting operator for $n\geq 2$. For $n=1$ and the mesh on characteristics, the 4th order scheme becomes explicit and close to an exact four-point scheme. We present a conditional stability theorem covering the cases of stability in strong and weak energy norms with respect to both initial functions and free term in the equation. Its corollary ensures the 4th order error bound in the case of smooth solutions to the IBVP. The main schemes are generalized for non-uniform rectangular meshes. We also give results of numerical experiments showing the sensitive dependence of the error orders in three norms on the weak smoothness order of the initial functions and free term and essential advantages over the 2nd approximation order schemes in the non-smooth case as well., Comment: 22 pages, 4 figures, 2 tables

As the use of renewable generation has increased, electric power systems have become increasingly reliant on natural gas-fired power plants as fast ramping sources for meeting fluctuating bulk power demands. This dependence has introduced new vulnerabilities to the power grid, including disruptions to gas transmission networks from natural and man-made disasters. To address the operational challenges arising from these disruptions, we consider the task of determining a feasible steady-state operating point for a damaged gas pipeline network while ensuring the maximal delivery of load. We formulate the mixed-integer nonconvex maximal load delivery (MLD) problem, which proves difficult to solve on large-scale networks. To address this challenge, we present a mixed-integer convex relaxation of the MLD problem and use it to determine bounds on the transport capacity of a gas pipeline system. To demonstrate the effectiveness of the relaxation, the exact and relaxed formulations are compared across a large number of randomized damage scenarios on nine natural gas pipeline network models ranging in size from 11 to 4197 junctions. A proof of concept application, which assumes network damage from a set of synthetically generated earthquakes, is also presented to demonstrate the utility of the proposed optimization-based capacity evaluation in the context of risk assessment for natural disasters. For all but the largest network, the relaxation-based method is found to be suitable for use in evaluating the impacts of multi-contingency network disruptions, often converging to the optimal solution of the relaxed formulation in less than ten seconds., Comment: Corrected alignment of histograms in Figure 2

Systematic discovery of reduced-order closure models for multi-scale processes remains an important open problem in complex dynamical systems. Even when an effective lower-dimensional representation exists, reduced models are difficult to obtain using solely analytical methods. Rigorous methodologies for finding such coarse-grained representations of multi-scale phenomena would enable accelerated computational simulations and provide fundamental insights into the complex dynamics of interest. We focus on a heterogeneous population of oscillators of Kuramoto type as a canonical model of complex dynamics, and develop a data-driven approach for inferring its coarse-grained description. Our method is based on a numerical optimization of the coefficients in a general equation of motion informed by analytical derivations in the thermodynamic limit. We show that certain assumptions are required to obtain an autonomous coarse-grained equation of motion. However, optimizing coefficient values enables coarse-grained models with conceptually disparate functional forms, yet comparable quality of representation, to provide accurate reduced-order descriptions of the underlying system., Comment: 13 pages, 10 figures

We derive conditions for monotonicity properties that characterize general flows of a commodity over a network, where the flow is described by potential and flow dynamics on the edges, as well as potential continuity and Kirchhoff-Neumann mass balance requirements at nodes. The transported commodity may be injected or withdrawn at any of the network nodes, and its movement throughout the network is controlled by nodal actuators. For a class of dissipative nonlinear parabolic partial differential equation (PDE) systems on networks, we derive conditions for monotonicity properties in steady-state flow, as well as for propagation of monotone ordering of states with respect to time-varying boundary condition parameters. In the latter case, initial conditions, as well as time-varying parameters in the coupling conditions at vertices, provide an initial boundary value problem (IBVP). We prove that ordering properties of the solution to the IBVP are preserved when the initial conditions and the parameters of the time-varying coupling law are appropriately ordered. Then, we prove that when monotone ordering is not preserved, the first crossing of solutions occurs at a network node. We consider the implications for robust optimization and optimal control formulations and real-time monitoring of uncertain dynamic flows on networks, and discuss application to subsonic compressible fluid flow with energy dissipation on physical networks. The main result and monitoring policy are demonstrated for gas pipeline test networks and a case study using data corresponding to a real working system. We propose applications of this general result to the control and monitoring of natural gas transmission networks., Comment: arXiv admin note: text overlap with arXiv:1601.05102

In many parts of the world, electric power systems have seen a significant shift towards generation from renewable energy and natural gas. Because of their ability to flexibly adjust power generation in real time, gas-fired power plants are frequently seen as the perfect partner for variable renewable generation. However, this reliance on gas generation increases interdependence and propagates uncertainty between power grids and gas pipelines, and brings coordination and uncertainty management challenges. To address these issues, we propose an uncertainty management framework for uncertain, but bounded gas consumption by gas-fired power plants. The admissible ranges are computed based on a joint optimization problem for the combined gas and electricity networks, which involves chance-constrained scheduling for the electric grid and a novel robust optimization formulation for the natural gas network. This formulation ensures feasibility of the integrated system with a high probability, while providing a tractable numerical formulation. A key advance with respect to existing methods is that our method is based on a physically accurate, validated model for transient gas pipeline flows. Our case study benchmarks our proposed formulation against methods that ignore how reserve activation impacts the fuel use of gas power plants, and only consider predetermined gas consumption. The results demonstrate the importance of considering uncertainty to avoid operating constraint violations and curtailment of gas to the generators.

Methodologies for multidimensionality reduction aim at discovering low-dimensional manifolds where data ranges. Principal Component Analysis (PCA) is very effective if data have linear structure. But fails in identifying a possible dimensionality reduction if data belong to a nonlinear low-dimensional manifold. For nonlinear dimensionality reduction, kernel Principal Component Analysis (kPCA) is appreciated because of its simplicity and ease implementation. The paper provides a concise review of PCA and kPCA main ideas, trying to collect in a single document aspects that are often dispersed. Moreover, a strategy to map back the reduced dimension into the original high dimensional space is also devised, based on the minimization of a discrepancy functional.

We present a method for joint state and parameter estimation for natural gas networks where gas pressures and flows through a network of pipes depend on time-varying injections, withdrawals, and compression controls. The estimation is posed as an optimal control problem constrained by coupled partial differential equations on each pipe that describe space- and time-dependent density and mass flux. These are discretized and combined with nodal conditions to give dynamic constraints for posing the estimation as nonlinear least squares problems. We develop a rapid, scalable computational method for performing the estimation in the presence of measurement and process noise. Finally, we evaluate its effectiveness using a data set from a capacity planning model for an actual pipeline system and a month of time-series data from its supervisory control and data acquisition (SCADA) system., Comment: In Proc. 3rd IEEE Conference on Control Technology and Applications. arXiv admin note: substantial text overlap with arXiv:1803.07156

We formulate an economic optimal control problem for transport of natural gas over a large-scale transmission pipeline network under transient flow conditions. The objective is to maximize economic welfare for users of the pipeline system, who provide time-dependent price and quantity bids to purchase or supply gas at metered locations on a system with time-varying injections, withdrawals, and control actions of compressors and regulators. Our formulation ensures that pipeline hydraulic limitations, compressor station constraints, operational factors, and pre-existing contracts for gas transport are satisfied. A pipeline is modeled as a metric graph with gas dynamics partial differential equations on edges and coupling conditions at the nodes. These dynamic constraints are reduced using lumped elements to a sparse nonlinear differential algebraic equation system. A highly efficient temporal discretization scheme for time-periodic formulations is introduced, which we extend to develop a rolling-horizon model-predictive control scheme. We apply the computational methodology to a pipeline system test network case study. In addition to the physical flow and compressor control solution, the optimization yields dual functions that we interpret as the time-dependent economic values of gas at each location in the network., Comment: To appear in Proc. 58th IEEE Conference on Decision and Control

This paper presents the philosophy, design and feature-set of Neural Network Distiller, an open-source Python package for DNN compression research. Distiller is a library of DNN compression algorithms implementations, with tools, tutorials and sample applications for various learning tasks. Its target users are both engineers and researchers, and the rich content is complemented by a design-for-extensibility to facilitate new research. Distiller is open-source and is available on Github at https://github.com/NervanaSystems/distiller.

Power systems often rely on natural gas pipeline networks to supply fuel for gas-fired generation. Market inefficiencies and a lack of formal coordination between the wholesale power and gas delivery infrastructures may magnify the broader impact of a cyber-attack on a natural gas pipeline. In this study we present a model that can be used to quantify the impact of cyber-attacks on electricity and gas delivery operations. We model activation of cyber-attack vectors that attempt to gain access to pipeline gas compressor controls using a continuous-time Markov chain over a state space based on the gas operator Industrial Control System firewall zone partition. Our approach evaluates the operating states and decision-making in the networks using physically realistic and operationally representative models. We summarize these models, the sequence of analyses used to quantify the impacts of a cyber-incident, and propose a Monte Carlo simulation approach to quantify the resulting effect on the reliability of the bulk power system by the increase in operational cost. The methodology is applied to a case study of interacting power, gas, and cyber test networks.