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At least 19 records

Optimal Linear Water Density for Proton Transport in Tunnel Oxides

Proton intercalation and transport is key to pseudocapacitive energy storage of oxide electrodes in acidic electrolytes. Although proton transport in water confined in layered or 2D materials is attracting great interest, much less is known about how the proton is transported in the 1D channels of tunnel oxides such as hexagonal WO 3 (h-WO 3 ). Here, we use first-principles molecular dynamics to reveal an optimal linear density of four water molecules per nanometer that yields the highest proton diffusivity. The volcano shape of proton diffusivity versus linear water density is a result of balancing the linear hydrogen-bond chain and the rotation of the water molecules to enable the Grotthuss mechanism. Furthermore, this insight provides a unifying view of proton transport along a single file of water molecules confined in hydrophilic 1D channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Designing networks: A mixed-integer linear optimization approach

Designing networks with specified collective properties is useful in a variety of application areas, enabling the study of how given properties affect the behavior of network models, the downscaling of empirical networks to workable sizes, and the analysis of network temporal evolution. Despite the importance of the task, there currently exists a gap in our ability to systematically generate networks that adhere to theoretical guarantees for the given property specifications. In this work, we propose the use of Mixed-Integer Linear Optimization modeling and solution methodologies to address this Network Generation Problem. We present useful modeling techniques and apply them to mathematically express and constrain a broad class of network properties in the context of an optimization formulation. We derive complete formulations for the generation of networks that attain specified levels of connectivity, spread, assortativity and robustness, and we illustrate these via a number of computational case studies.

97 MATHEMATICS AND COMPUTING↗

Derived Optimal Linear Combination Evapotranspiration (DOLCE): a global gridded synthesis ET estimate

Accurate global gridded estimates of evapotranspiration (ET) are key to understanding water and energy budgets, in addition to being required for model evaluation. Several gridded ET products have already been developed which differ in their data requirements, the approaches used to derive them and their estimates, yet it is not clear which provides the most reliable estimates. This paper presents a new global ET dataset and associated uncertainty with monthly temporal resolution for 2000–2009. Six existing gridded ET products are combined using a weighting approach trained by observational datasets from 159 FLUXNET sites. The weighting method is based on a technique that provides an analytically optimal linear combination of ET products compared to site data and accounts for both the performance differences and error covariance between the participating ET products. We examine the performance of the weighting approach in several in-sample and out-of-sample tests that confirm that point-based estimates of flux towers provide information on the grid scale of these products. We also provide evidence that the weighted product performs better than its six constituent ET product members in four common metrics. Uncertainty in the ET estimate is derived by rescaling the spread of participating ET products so that their spread reflects the ability of the weighted mean estimate to match flux tower data. While issues in observational data and any common biases in participating ET datasets are limitations to the success of this approach, future datasets can easily be incorporated and enhance the derived product.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Piecewise Linear Optimization for Public EV Charging Depots in Different Utility Environments

With the proliferation of electric vehicles (EVs), EV supply equipment technology is being pushed to increasingly higher power levels, such as extreme fast charging (XFC) at 300kW or more. As more public XFC depots are connected to electric distribution systems, utility operators will mitigate their impact with pricing schemes and programs such as demand response, demand charges, and time-varying prices. In this paper we describe an XFC management system that combines an on-site battery energy storage system and an optimization application that minimizes the cost to operate the depot in light of the utility pricing programs. We have designed the optimizer specially to use fast and simple linear programming so that it can be deployed to low-cost computing platforms. We also describe how several utility pricing schemes are integrated into a single piecewise model, reducing the engineering effort to implement the optimizer in different utility environments.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Linear optimal power flow system and method

An electric power system or power grid is optimized using a computer-implemented tool the represents in computer memory the optimization function and at least one constraint, which the processor operates upon using a linear programming solver algorithm. The constraints are represented in memory as data structures that include both real and reactive power terms, corresponding to at least one of a power flow model and a transmission line model. The transmission line model is represented using a piecewise linear representation. The power flow model may also include for each node in the power system a real power loss term representing transmission line loss allocated to that node.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Optimal Linear Responses for Markov Chains and Stochastically Perturbed Dynamical Systems

The linear response of a dynamical system refers to changes to properties of the system when small external perturbations are applied. We consider the little-studied question of selecting an optimal perturbation so as to (i) maximise the linear response of the equilibrium distribution of the system, (ii) maximise the linear response of the expectation of a specified observable, and (iii) maximise the linear response of the rate of convergence of the system to the equilibrium distribution. We also consider the inhomogeneous, sequential, or time-dependent situation where the governing dynamics is not stationary and one wishes to select a sequence of small perturbations so as to maximise the overall linear response at some terminal time. We develop the theory for finite-state Markov chains, provide explicit solutions for some illustrative examples, and numerically apply our theory to stochastically perturbed dynamical systems, where the Markov chain is replaced by a matrix representation of an approximate annealed transfer operator for the random dynamical system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Linearity optimization of atomic layer deposited ZrO{sub 2} metal-insulator-metal capacitors by inserting interfacial Zr-doped chromia layers

In order to improve the electrical behaviour of metal-insulator-metal capacitors with ZrO{sub 2} insulator grown by Atomic Layer Deposition, the influence of the insertion of interfacial Cr layers between Pt electrodes and the zirconia is investigated. An improvement of the α-voltage coefficient of capacitance as low as 567 ppm/V{sup 2} is achieved for a single layer of Cr while maintaining a high capacitance density of 10.7 fF/μm{sup 2} and a leakage current of less than 1.2 × 10{sup −8} A/cm{sup 2} at +1 V. The role of the interface is discussed by means of X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy showing the formation of Zr stabilized chromia oxide phase with a dielectric constant of 16.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Iterative methods in GPU-resident linear solvers for nonlinear constrained optimization

Linear solvers are major computational bottlenecks in a wide range of decision support and optimization computations. The challenges become even more pronounced on heterogeneous hardware, where traditional sparse numerical linear algebra methods are often inefficient. For example, methods for solving ill-conditioned linear systems have relied on conditional branching, which degrades performance on hardware accelerators such as graphical processing units (GPUs). To improve the efficiency of solving ill-conditioned systems, our computational strategy separates computations that are efficient on GPUs from those that need to run on traditional central processing units (CPUs). Our strategy maximizes the reuse of expensive CPU computations. Iterative methods, which thus far have not been broadly used for ill-conditioned linear systems, play an important role in our approach. In particular, we extend ideas from Arioli et al., (2007) to implement iterative refinement using inexact LU factors and flexible generalized minimal residual (FGMRES), with the aim of efficient performance on GPUs. In conclusion, we focus on solutions that are effective within broader application contexts, and discuss how early performance tests could be improved to be more predictive of the performance in a realistic environment.

97 MATHEMATICS AND COMPUTING↗

Stability-Constrained Learning for Frequency Regulation in Power Grids With Variable Inertia

The increasing penetration of converter-based renewable generation has resulted in faster frequency dynamics, and low and variable inertia. As a result, there is a need for frequency control methods that are able to stabilize a disturbance in the power system at timescales comparable to the fast converter dynamics. This paper proposes a combined linear and neural network controller for inverter-based primary frequency control that is stable at time-varying levels of inertia. We model the time-variance in inertia via a switched affine hybrid system model. We derive stability certificates for the proposed controller via a quadratic candidate Lyapunov function. We test the proposed control on a 12-bus 3-area test network, and compare its performance with a base case linear controller, optimized linear controller, and finite-horizon Linear Quadratic Regulator (LQR). Our proposed controller achieves faster mean settling time and over 50% reduction in average control cost across 100 inertia scenarios compared to the optimized linear controller. Unlike LQR which requires complete knowledge of the inertia trajectories and system dynamics over the entire control time horizon, our proposed controller is real-time tractable, and achieves comparable performance to LQR.

data-driven control↗

Development of a Distribution Optimal Power Flow Federate for Open-Source OEDI-SI Platform

Increasing numbers of distributed generators in the electric power distribution networks require developing a control strategy to optimize solutions in real time. Linearized optimal distribution flow development has seen growth and acceptance in the distribution systems literature for efficiently modeling the \glspl{opf} for distribution systems. This paper examines the implementation and integration procedure for linearized optimal distribution flow federate to \gls{oedisi} platform. Specifically, we discuss i) the usage of the \gls{oedisi} platform, ii) obtaining a tractable solution using developed \gls{opf} federate, and iii) validation of solutions and bench-marking the \gls{oedisi} platform with developed \gls{opf} federate using OpenDSS. In brief, we demonstrate how a general linearized optimal distribution flow federate can be developed and integrated with a co-simulation environment to mimic real-world examples. The efficacy of the proposed method is demonstrated using the IEEE 123-bus test system under different scenarios to obtain a tractable solution and compare its results.

Sadnan, Rabayet↗

A widefield fluorescence microscope with a linear image sensor for image cytometry of biospecimens: Considerations for image quality optimization

Linear image sensors have been widely used in numerous research and industry applications to provide continuous imaging of moving objects. Here, we present a widefield fluorescence microscope with a linear image sensor used to image translating objects for image cytometry. First, a calibration curve was characterized for a custom microfluidic chamber over a span of volumetric pump rates. Image data were also acquired using 15 μm fluorescent polystyrene spheres on a slide with a motorized translation stage in order to match linear translation speed with line exposure periods to preserve the image aspect ratio. Aspect ratios were then calculated after imaging to ensure quality control of image data. Fluorescent beads were imaged in suspension flowing through the microfluidics chamber being pumped by a mechanical syringe pump at 16 μl min{sup −1} with a line exposure period of 150 μs. The line period was selected to acquire images of fluorescent beads with a 40 dB signal-to-background ratio. A motorized translation stage was then used to transport conventional glass slides of stained cellular biospecimens. Whole blood collected from healthy volunteers was stained with 0.02% (w/v) proflavine hemisulfate was imaged to highlight leukocyte morphology with a 1.56 mm × 1.28 mm field of view (1540 ms total acquisition time). Oral squamous cells were also collected from healthy volunteers and stained with 0.01% (w/v) proflavine hemisulfate to demonstrate quantifiable subcellular features and an average nuclear to cytoplasmic ratio of 0.03 (n = 75), with a resolution of 0.31 μm pixels{sup −1}.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Large-Scale Optimization with Linear Equality Constraints Using Reduced Compact Representation

For optimization problems with linear equality constraints, we prove that the (1,1) block of the inverse KKT matrix remains unchanged when projected onto the nullspace of the constraint matrix. In this work, we develop reduced compact representations of the limited-memory inverse BFGS Hessian to compute search directions efficiently when the constraint Jacobian is sparse. Orthogonal projections are implemented by a sparse QR factorization or a preconditioned LSQR iteration. In numerical experiments two proposed trust-region algorithms improve in computation times, often significantly, compared to previous implementations of related algorithms and compared to IPOPT.

97 MATHEMATICS AND COMPUTING↗

MCTP system model based on linear programming optimization of apertures obtained from sequencing patient image data maps

Purpose: The authors present a hybrid direct multileaf collimator (MLC) aperture optimization model exclusively based on sequencing of patient imaging data to be implemented on a Monte Carlo treatment planning system (MC-TPS) to allow the explicit radiation transport simulation of advanced radiotherapy treatments with optimal results in efficient times for clinical practice. Methods: The planning system (called CARMEN) is a full MC-TPS, controlled through aMATLAB interface, which is based on the sequencing of a novel map, called “biophysical” map, which is generated from enhanced image data of patients to achieve a set of segments actually deliverable. In order to reduce the required computation time, the conventional fluence map has been replaced by the biophysical map which is sequenced to provide direct apertures that will later be weighted by means of an optimization algorithm based on linear programming. A ray-casting algorithm throughout the patient CT assembles information about the found structures, the mass thickness crossed, as well as PET values. Data are recorded to generate a biophysical map for each gantry angle. These maps are the input files for a home-made sequencer developed to take into account the interactions of photons and electrons with the MLC. For each linac (Axesse of Elekta and Primus of Siemens) and energy beam studied (6, 9, 12, 15 MeV and 6 MV), phase space files were simulated with the EGSnrc/BEAMnrc code. The dose calculation in patient was carried out with the BEAMDOSE code. This code is a modified version of EGSnrc/DOSXYZnrc able to calculate the beamlet dose in order to combine them with different weights during the optimization process. Results: Three complex radiotherapy treatments were selected to check the reliability of CARMEN in situations where the MC calculation can offer an added value: A head-and-neck case (Case I) with three targets delineated on PET/CT images and a demanding dose-escalation; a partial breast irradiation case (Case II) solved with photon and electron modulated beams (IMRT + MERT); and a prostatic bed case (Case III) with a pronounced concave-shaped PTV by using volumetric modulated arc therapy. In the three cases, the required target prescription doses and constraints on organs at risk were fulfilled in a short enough time to allow routine clinical implementation. The quality assurance protocol followed to check CARMEN system showed a high agreement with the experimental measurements. Conclusions: A Monte Carlo treatment planning model exclusively based on maps performed from patient imaging data has been presented. The sequencing of these maps allows obtaining deliverable apertures which are weighted for modulation under a linear programming formulation. The model is able to solve complex radiotherapy treatments with high accuracy in an efficient computation time.

60 APPLIED LIFE SCIENCES↗