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At least 91 records · Page 5

Optimally tuned starting point for single-shot GW calculations of solids

The dependence of ab initio many-body perturbation theory within the $\textit{GW}$ approximation on the eigensystem used in calculating quasiparticle corrections limits this method's predictive power. Here, we investigate the accuracy of the recently developed Wannier-localized optimally tuned screened range-separated hybrid (WOT-SRSH) functional as a generalized Kohn-Sham starting point for single-shot $\textit{GW}$ ($G_0W_0$) calculations for a range of semiconductors and insulators. Comparison to calculations based on well-established functionals, namely, PBE, PBE0, and HSE, as well as to self-consistent GW schemes and to experiment, shows that band gaps computed via $G_0W_0$@WOT-SRSH have a level of precision and accuracy that is comparable to that of more advanced methods such as quasiparticle self-consistent $\textit{GW}$ and eigenvalue self-consistent $\textit{GW}$. In this work, we also find that $G_0W_0$@WOT-SRSH improves the description of states deeper in the valence band manifold. Finally, we show that $G_0W_0$@WOT-SRSH significantly reduces the sensitivity of computed band gaps to ambiguities in the underlying WOT-SRSH tuning procedure.

36 MATERIALS SCIENCE↗

An Optimized Multicolor Point-Implicit Solver for Unstructured Grid Applications on Graphics Processing Units

In the field of computational fluid dynamics, the Navier-Stokes equations are often solved using an unstructuredgrid approach to accommodate geometric complexity. Implicit solution methodologies for such spatial discretizations generally require frequent solution of large tightly-coupled systems of block-sparse linear equations. The multicolor point-implicit solver used in the current work typically requires a significant fraction of the overall application run time. In this work, an efficient implementation of the solver for graphics processing units is proposed. Several factors present unique challenges to achieving an efficient implementation in this environment. These include the variable amount of parallelism available in different kernel calls, indirect memory access patterns, low arithmetic intensity, and the requirement to support variable block sizes. In this work, the solver is reformulated to use standard sparse and dense Basic Linear Algebra Subprograms (BLAS) functions. However, numerical experiments show that the performance of the BLAS functions available in existing CUDA libraries is suboptimal for matrices representative of those encountered in actual simulations. Instead, optimized versions of these functions are developed. Depending on block size, the new implementations show performance gains of up to 7x over the existing CUDA library functions.

Zubair, Mohammad↗

An Interior-Point Solver for Optimal Power Flow Problem Considering Distributed FACTS Devices

In this paper, we propose an AC optimal power flow (ACOPF) model considering distributed flexible AC transmission system (D-FACTS) devices, in which the reactance of D-FACTS equipped lines are introduced as decision variables. This is motivated by increasing interests in using D-FACTS devices to address system operational and cyber-security concerns. First, D-FACTS devices can be incorporated in real-time operations for economic benefits such as managing power congestions and reducing system losses. Second, D-FACTS devices can be utilized by moving target defense (MTD), an emerging concept against cyber-attacks, to prevent attackers from knowing true system configurations. Therefore, system operators can use the proposed ACOPF model to achieve economic benefits and provide the setpoints of D-FACTS devices for MTD at the same time. In addition, we rigorously derive the gradient and Hessian matrices of the objective function and constraints, which are further used to build an interior-point solver of the proposed ACOPF. Numerical results on the IEEE 118-bus transmission system show the validity of the proposed ACOPF model as well as the efficacy of the interior-point solver in minimizing system losses and generation costs.

Liu, Bo↗

Multi-Point Design and Optimization of a Turboshaft Engine for a Tiltwing Turboelectric VTOL Air Taxi

This paper describes the design of a turboshaft engine for a tiltwing air taxi application. In this case, the tiltwing air taxi is intended to fly a 400-nautical mile mission with up to fifteen passengers. Engine requirements for the concept engine are taken from aircraft system studies where thrust is produced by four propellers driven by electric motors and powered by a single gas turbine engine. The purpose of this paper is to perform a cycle design optimization that minimizes fuel consumption and weight while respecting current technology limitations to meet mission requirements. To achieve results, the engine overall pressure ratio and maximum temperature at the exit of the combustor are set as the design parameters. Several sensitivity studies are also performed to visualize optimization trends. Results of the optimization study show solutions are heavily dependent on engine cooling flow requirements and exact mission requirements. This engine is intended for use in large system optimization research.

Optimization↗

A superlinear interior points algorithm for engineering design optimization

We present a quasi-Newton interior points algorithm for nonlinear constrained optimization. It is based on a general approach consisting of the iterative solution in the primal and dual spaces of the equalities in Karush-Kuhn-Tucker optimality conditions. This is done in such a way to have primal and dual feasibility at each iteration, which ensures satisfaction of those optimality conditions at the limit points. This approach is very strong and efficient, since at each iteration it only requires the solution of two linear systems with the same matrix, instead of quadratic programming subproblems. It is also particularly appropriate for engineering design optimization inasmuch at each iteration a feasible design is obtained. The present algorithm uses a quasi-Newton approximation of the second derivative of the Lagrangian function in order to have superlinear asymptotic convergence. We discuss theoretical aspects of the algorithm and its computer implementation.

Herskovits, J.↗

Lagrangian–Eulerian multidensity topology optimization with the material point method

Abstract In this paper, a hybrid Lagrangian–Eulerian topology optimization (LETO) method is proposed to solve the elastic force equilibrium with the Material Point Method (MPM). LETO transfers density information from freely movable Lagrangian carrier particles to a fixed set of Eulerian quadrature points. This transfer is based on a smooth radial kernel involved in the compliance objective to avoid the artificial checkerboard pattern. The quadrature points act as MPM particles embedded in a lower‐resolution grid and enable a subcell multidensity resolution of intricate structures with a reduced computational cost. A quadrature‐level connectivity graph‐based method is adopted to avoid the artificial checkerboard issues commonly existing in multiresolution topology optimization methods. Numerical experiments are provided to demonstrate the efficacy of the proposed approach.

Li, Yue↗

Coupled Aeropropulsive Design Optimization of a Podded Electric Propulsor

New aircraft concepts are increasingly relying on non-traditional propulsion systems to achieve lower energy consumption. These non-traditional technologies, such as boundary layer ingestion or distributed electric propulsion, require a tight integration of the propulsion sys- tem to the airframe, and therefore, a traditional design approach where the aerodynamics and propulsion disciplines are considered separately is likely to result in sub-optimal designs. As a result, we have to rely on coupled aeropropulsive design optimization, in which fully coupled aeropropulsive models are optimized to maximize the advantages of these tightly integrated propulsion systems. Despite its advantages, aeropropulsive design optimization is a relatively new field, and significant advancements are required for wide adoption of this approach, especially in the context of robustness. In this work, we introduce two fully coupled aeropropulsive design optimization approaches that are compatible with CFD models with body-force terms and boundary conditions to model the effects of the propulsion system in the flow field. To test these new approaches, we developed a podded electric fan model based on the aft-propulsor of NASA’s STARC-ABL concept. This simple design problem enables us to rapidly develop and test different aeropropulsive coupling approaches, while including the challenging physical interactions that arise from coupling CFD and propulsion models. The coupled aeropropulsive model is implemented using the MPhys library, which is built with NASA’s OpenMDAO frame- work. Using this benchmark design problem, we demonstrate the robustness of the approaches and our aeropropulsive design optimization framework by performing a sweep of optimizations for a total of 50 CFD-based aeropropulsive design optimizations. Furthermore, the new aero- propulsive coupling approaches enable multi-point design optimizations. We demonstrate this capability in a multi-point design optimization problem where we optimize cruise performance subject to a fan-face distortion constraint at rolling take-off conditions. The aeropropulsive modeling approaches we present in this work represent a significant milestone in the field of aeropropulsive design optimization. The framework we developed is extremely robust and flexible, and these developments will be crucial for future aeropropulsive design optimizations of complete turbofan engines.

Optimization propulsion aerodynamics↗

Optimization of a point-focusing, distributed receiver solar thermal electric system

This paper presents an approach to optimization of a solar concept which employs solar-to-electric power conversion at the focus of parabolic dish concentrators. The optimization procedure is presented through a series of trade studies, which include the results of optical/thermal analyses and individual subsystem trades. Alternate closed-cycle and open-cycle Brayton engines and organic Rankine engines are considered to show the influence of the optimization process, and various storage techniques are evaluated, including batteries, flywheels, and hybrid-engine operation.

Pons, R. L.↗

Martian Aerocapture Terminal Point Guidance: A Reference Path Optimization Study

An effective method of terminal point guidance is to employ influence coefficients, which are solved from a set of differential equations adjoint to the linearized perturbations of the equations of motion about a reference trajectory. Hence, to optimize this type of guidance, one must first optimize the reference trajectory that the guidance is based upon. This study concentrates on various methods to optimize a reference trajectory for a Martian aerocapture maneuver, including a parametric analysis and first order gradient method. Resulting reference trajectories were tested in separate 2000 6-DOF Monte Carlo runs, using the Atmospheric Guidance Algorithm Testbed for the Mars Surveyor Program 2001 (MSP '01) Orbiter. These results were compared to an August 1998 study using the same terminal point control guidance algorithm and simulation testbed. Satisfactory improvements over the 1998 study are amply demonstrated.

Ro, Theodore U.↗

Optimal maneuvering and fine pointing control of large space telescope with a new magnetically suspended, single gimballed momentum storage device

This paper considers the application of an Annular Momentum Control Device (AMCD) to both fine pointing and large-angle maneuvering of a large space telescope (LST). The AMCD, which consists principally of a spinning rim suspended in noncontacting electromagnetic bearings, represents a new development in momentum storage devices. A nonlinear mathematical model of the AMCD/LST system is derived. An optimal stochastic fine-pointing controller is designed via LQG theory and the minimum-energy maneuvering problem is solved via a gradient technique. Number of state variable and control variable constraints, as well as all trigonometric nonlinearities, are considered in the latter part.

Nadkarni, A. A.↗

Flight-test guidance for airbreathing hypersonic vehicles

A guidance solution for aerospace planes is given based on a family of energy-heading extremal solutions that can be used for feedback implementations. Test conditions are developed as steady-cruise solutions by means of energy-heading extremal solutions to a time/fuel-range flight-optimization problem. Feedback charts are derived that give control as a function of energy and heading-to-go, and the reduced-order model is compared to numerically optimized point-mass solutions for flight optimization. The energy-heading model is shown to provide feedback-control charts that yield fuel-efficient turn/acceleration maneuvers with significant weight-change as compared to the point-mass solutions. Such variables as Mach number, dynamic pressure, and lift are found to influence the solutions significantly.

Cliff, Eugene M.↗

Application of a two-point exponential approximation method in optimizing rotorcraft airframe structures

The Fadel (1990) two-point exponential approximation technique for rotorcraft airframe structural optimization is presently examined by comparing its results with the well established linear and hybrid first-order methods. Attention is given to both the elastic-line and FEM models of an AH-1G airframe. The Direct Matrix Abstraction Programming Language is used to compute sensitivity derivatives and motivate the CONMIN optimizer to produce the design change.

Sareen, Ashish K.↗

Optimizing Probability of Detection Point Estimate Demonstration

Probability of detection (POD) analysis is used in assessing reliably detectable flaw size in nondestructive evaluation (NDE). MIL-HDBK-18231and associated mh18232POD software gives most common methods of POD analysis. Real flaws such as cracks and crack-like flaws are desired to be detected using these NDE methods. A reliably detectable crack size is required for safe life analysis of fracture critical parts. The paper provides discussion on optimizing probability of detection (POD) demonstration experiments using Point Estimate Method. POD Point estimate method is used by NASA for qualifying special NDE procedures. The point estimate method uses binomial distribution for probability density. Normally, a set of 29 flaws of same size within some tolerance are used in the demonstration. The optimization is performed to provide acceptable value for probability of passing demonstration (PPD) and achieving acceptable value for probability of false (POF) calls while keeping the flaw sizes in the set as small as possible.

Koshti, Ajay M.↗

Optimal Equilibrium Selection of Price-Maker Agents in Performance-Based Regulation Market

This paper analyzes the oligopolistic equilibrium of multiple price-maker agents in performance-based regulation (PBR) markets. In these markets, there are price-maker agents representing some frequency regulation (FR) providers and a number of independent price-taker FR providers. An equilibrium problem with equilibrium constraints (EPEC) model is employed in this paper to study the equilibria of a PBR market in the presence of price-maker agents and pricetaker FR providers. Due to the incorporation of the FR providers' dynamics, the proposed model is reformulated as a mixed-integer linear programming (MILP) problem over innovative mathematical techniques. An optimal equilibrium point is also selected for the market, where none of the agents is unique deviator and the dynamic performance of power system is improved simultaneously. The effectiveness of proposed optimal equilibrium point is evaluated in the numerical results section by comparing the outputs with conventional optimal dispatches of the FR providers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Spot size measurement of a deuterium–tritium dense plasma focus using neutron radiography

Neutron radiography is a technique uniquely suited to applications in nuclear diagnostics, non-destructive testing, and subcritical experiments. The spatial resolution of neutron radiographs is degraded by optical blur in the imaging system and the neutron source size, where the ideal source is point-like to optimize the point-spread function. A potential neutron source for radiography is the dense plasma focus (DPF), a coaxial Z-pinch that produces thermonuclear and beam-target neutrons. To assess if the source size is suitable for radiography, a neutron imaging system was used to measure the source size of the 4 MA Sodium DPF at the Nevada National Security Site operating with deuterium–tritium gas-fill. The source size was measured using the edge-spread function of tungsten objects, each having a rolled (convex) edge. The spot size was found to be 7–12 mm full-width at half-max (FWHM) assuming a Gaussian source, though comparison is presented for Lorentzian and Bennett distributions. The average FWHM was found to be 8.6 ± 1.2 mm vertically and 10.8 ± 1.2 mm horizontally with respect to the image plane, averaging over varied edges and alignments. The results were sensitive to source alignment and edge metrology, which introduced notable uncertainties. These results are consistent with separate experimental measurements as well as magnetohydrodynamics simulations of this DPF, which suggest that neutron production can originate from pinches ∼5–7 mm off-axis. These results suggest that the DPF should be used for radiography at low magnification (M < 1) where spot size does not dominate spatial blur.

47 OTHER INSTRUMENTATION↗