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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Photon detector response function methodology using MCNP and shift hybrid radiation transport code for wide-area contamination assay applications

Here, radiation transport modeling using the Monte Carlo N-Particle (MCNP) radiation transport code and Monte Carlo code, Shift, were employed to model detector responses for a variety of wide-area photon contamination scenarios. In this study, 2" × 2" and 3" × 3" cylindrical NaI(Tl) scintillation detector configurations at source detector-distances of 0.5 cm, 1 cm, 2.54 cm, 10 cm, and 30 cm were modeled. Media of soil, concrete, and steel were evaluated for contamination depths ranging from surface to a depth of an infinite thickness in each medium for photon energies ranging from 20 keV to 3 MeV, which correspond to the energies that current detectors can discern. Monoenergetic photon surface contamination detector responses for each of the media, source–detector distances, and detectors were estimated using MCNP v6.2. Shift was harnessed for improved variance reduction of particle transport in highly attenuating media to obtain average cell fluxes in the two MCNP NaI(Tl) scintillation detector configurations. Average cell flux values in Shift were coupled with detector responses from MCNP to convert average cell flux in a void to energy distribution of pulses in the NaI(Tl) scintillation detector crystal of interest. An optimized detector response function methodology was developed by coupling the MCNP radiation transport method with the Consistent Adjoint Driven Importance Sampling (CADIS) hybrid radiation transport method built into Shift to significantly decrease the runtime of thousands of MCNP pulse height simulations. The methodology may be utilized to quickly and accurately facilitate the assessment of a broad range of wide-area environmental contamination assay and decommissioning cleanup applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1998

A Preconditioning Method for Shape Optimization Governed by the Euler Equations

We consider a classical aerodynamic shape optimization problem subject to the compressible Euler flow equations. The gradient of the cost functional with respect to the shape variables is derived with the adjoint method at the continuous level. The Hessian (second order derivative of the cost functional with respect to the shape variables) is approximated also at the continuous level, as first introduced by Arian and Ta'asan (1996). The approximation of the Hessian is used to approximate the Newton step which is essential to accelerate the numerical solution of the optimization problem. The design space is discretized in the maximum dimension, i.e., the location of each point on the intersection of the computational mesh with the airfoil is taken to be an independent design variable. We give numerical examples for 86 design variables in two different flow speeds and achieve an order of magnitude reduction in the cost functional at a computational effort of a full solution of the analysis partial differential equation (PDE).

Arian, Eyal↗
NASA NTRSDate not supplied

Influence of the Perception Constraint, Installation Effects, and Broadband SelfNoise on Low-Fidelity, Multi-point, UAM Vehicle Perception-Influenced-Design(PID) Optimization

UAM vehicles represent a unique challenge in acoustics because there are a limited number of full-scale datasets that can be used to calibrate and validate prediction models. In addition, acoustics is considered more often in the early design loop as a higher priority concern in UAM vehicle design, whereas with traditional vehicles, acoustics is typically addressed with post-design constraints. This paper will present an approach in design optimization of a proprotor in two flight conditions, hover, and forward flight, with several acoustic objective functions that simulate community response. An adjoint-capable vortex-lattice method (VLM), implemented in VSPAERO, will be used to compute the blade forces and inflow properties required to compute tonal and broadband noise using the second-generation Aircraft NOise Prediction Program (ANOPP2). In addition, a wing is placed near the proprotor to simulate installation effects on a vehicle’s wing. The influence of rotation rate, chord distribution, twist angle, and sweep on installation, broadband noise, and choice of perception constraint from the design optimization will be shown.

acoustics↗
NASA NTRS1988

Mixed finite element formulation applied to shape optimization

The development presented introduces a general form of mixed formulation for the optimal shape design problem. The associated optimality conditions are easily obtained without resorting to highly elaborate mathematical developments. Also, the physical significance of the adjoint problem is clearly defined with this formulation.

Rodrigues, Helder↗
NASA NTRS1998

Preliminary Results from the Application of Automated Adjoint Code Generation to CFL3D

This report describes preliminary results obtained using an automated adjoint code generator for Fortran to augment a widely-used computational fluid dynamics flow solver to compute derivatives. These preliminary results with this augmented code suggest that, even in its infancy, the automated adjoint code generator can accurately and efficiently deliver derivatives for use in transonic Euler-based aerodynamic shape optimization problems with hundreds to thousands of independent design variables.

Carle, Alan↗
DOE OSTI2022

Dynamic Learning of Correlation Potentials for a Time-Dependent Kohn-Sham System

We develop methods to learn the correlation potential for a time-dependent Kohn-Sham (TDKS) system in one spatial dimension. We start from a low-dimensional two-electron system for which we can numerically solve the time-dependent Schr¨odinger equation; this yields electron densities suitable for training models of the correlation potential. We frame the learning problem as one of optimizing a least-squares objective subject to the constraint that the dynamics obey the TDKS equation. Applying adjoints, we develop efficient methods to compute gradients and thereby learn models of the correlation potential. Our results show that it is possible to learn values of the correlation potential such that the resulting electron densities match ground truth densities. We also show how to learn correlation potential functionals with memory, demonstrating one such model that yields reasonable results for trajectories outside the training set.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Sensitivity analysis of Lyapunov and Riccati equations with application to controls-structures integrated design

Controls-structure integrated design is a complicated multidisciplinary design optimization problem which involves the state equations pertaining to open-loop eigenvalues and control laws. In order to alleviate the intensity of the computation, this study uses the adjoint variable method to derive sensitivity equations for the eigenvalue, Liapunov, and Riccati equations. These individual sensitivity equations are then combined together to form the multidisciplinary sensitivity equations for the control structure integrated design problems. A set of linear sensitivity equations, proportional in number to the number of performance functions involved in the optimization process, are solved. This proposed approach may provide a great saving in computer resources. The validity of the newly developed sensitivity equations is verified by numerical examples.

Hou, Gene↗
NASA NTRS2015

Constraining Black Carbon Aerosol over Asia using OMI Aerosol Absorption Optical Depth and the Adjoint of GEOS-Chem

Accurate estimates of the emissions and distribution of black carbon (BC) in the region referred to here as Southeastern Asia (70degE-l50degE, 11degS-55degN) are critical to studies of the atmospheric environment and climate change. Analysis of modeled BC concentrations compared to in situ observations indicates levels are underestimated over most of Southeast Asia when using any of four different emission inventories. We thus attempt to reduce uncertainties in BC emissions and improve BC model simulations by developing top-down, spatially resolved, estimates of BC emissions through assimilation of OMI observations of aerosol absorption optical depth (AAOD) with the GEOS-Chem model and its adjoint for April and October of 2006. Overwhelming enhancements, up to 500%, in anthropogenic BC emissions are shown after optimization over broad areas of Southeast Asia in April. In October, the optimization of anthropogenic emissions yields a slight reduction (1-5%) over India and parts of southern China, while emissions increase by 10-50% over eastern China. Observational data from in situ measurements and AERONET observations are used to evaluate the BC inversions and assess the bias between OMI and AERONET AAOD. Low biases in BC concentrations are improved or corrected in most eastern and central sites over China after optimization, while the constrained model still underestimates concentrations in Indian sites in both April and October, possibly as a. consequence of low prior emissions. Model resolution errors may contribute up to a factor of 2.5 to the underestimate of surface BC concentrations over northern India. We also compare the optimized results using different anthropogenic emission inventories and discuss the sensitivity of top-down constraints on anthropogenic emissions with respect to biomass burning emissions. In addition, the impacts of brown carbon, the formulation of the observation operator, and different a priori constraints on the optimization are investigated. Overall, despite these limitations and uncertainties, using OMI AAOD to constrain BC sources improves model representation of BC distributions, particularly over China.

Aerosols↗
DOE OSTI2023

Computed axial lithography optimization system

A system for determining a light intensity field for use in manufacturing a 3D object from a volume of material. The system receives a 3D specification of a 3D geometry for the 3D object that specifies voxels within the volume that contain material that is to be part of the 3D object. The system employs a cost function for effectiveness of a light intensity field in manufacturing the 3D object. The cost function may be an adjoint of an Attenuated Radon Transform that models an energy dose that each voxel would receive during manufacture of the 3D object using the light intensity field. The system applies an optimization technique that employs the cost function to generate a measure of the effectiveness of possible light intensity fields and outputs an indication of a light intensity field that will be effective in manufacturing the 3D object.

Shusteff, Maxim↗
NASA NTRS1996

Quasi-Optimal Schwarz Methods for the Conforming Spectral Element Discretization

Fast methods are proposed for solving the system K(sub N)x = b resulting from the discretization of self-adjoint elliptic equations in three dimensional domains by the spectral element method. The domain is decomposed into hexahedral elements, and in each of these elements the discretization space is formed by polynomials of degree N in each variable. Gauss-Lobatto-Legendre (GLL) quadrature rules replace the integrals in the Galerkin formulation. This system is solved by the preconditioned conjugate gradients method. The conforming finite element space on the GLL mesh consisting of piecewise Q(sub 1) elements produces a stiffness matrix K(sub h) that is spectrally equivalent to the spectral element stiffness matrix K(sub N). The action of the inverse of K(sub h) is expensive for large problems, and is therefore replaced by a Schwarz preconditioner B(sub h) of this finite element stiffness matrix. The preconditioned operator then becomes B(sub h)(exp -l)K(sub N). The technical difficulties stem from the nonregularity of the mesh. Tools to estimate the convergence of a large class of new iterative substructuring and overlapping Schwarz preconditioners are developed. This technique also provides a new analysis for an iterative substructuring method proposed by Pavarino and Widlund for the spectral element discretization.

Casarin, Mario↗
DOE OSTI2025

Differentiable lagrangian shock hydrodynamics with application to stable shock acceleration of density interfaces

We develop a gradient based optimization approach for the equations of compressible, Lagrangian hydrodynamics and demonstrate how it can be employed to automatically uncover strategies to control hydrodynamic instabilities arising from shock acceleration of density interfaces. Strategies for controlling the Richtmyer-Meshkov instability (RMI) are of great benefit for inertial confinement fusion (ICF) where shock interactions with many small imperfections in the density interface lead to instabilities which rapidly grow over time. These instabilities lead to mixing which, in the case of laser driven ICF, quenches the runaway fusion process ruining the potential for positive energy return. Here, we demonstrate that control of these instabilities can be achieved by optimization of initial conditions with ( > 100) parameters. Optimizing over a large parameter space like this is not possible with gradient-free optimization strategies. This requires computation of the gradient of the outputs of a numerical solution to the equations of Lagrangian hydrodynamics with respect to the inputs. We show that the efficient computation of these gradients is made possible via a judicious application of (i) adjoint methods, the exact formal representation of sensitivities involving partial differential equations, and (ii) automatic differentiation (AD), the algorithmic calculation of derivatives of functions. Careful regularization of multiple operators including artificial viscosity and timestep control is required. We perform design optimization of > 100 parameter energy field driving the Richtmyer Meshkov instability showing significant suppression while simultaneously enhancing the acceleration of the interface relative to a nominal baseline case.

Hydrophysics↗
DOE OSTI2020

TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

TurboRVB is a computational package for ab initio Quantum Monte Carlo (QMC) simulations of both molecular and bulk electronic systems. The code implements two types of well established QMC algorithms: Variational Monte Carlo (VMC) and diffusion Monte Carlo in its robust and efficient lattice regularized variant. A key feature of the code is the possibility of using strongly correlated many-body wave functions (WFs), capable of describing several materials with very high accuracy, even when standard mean-field approaches [e.g., density functional theory (DFT)] fail. The electronic WF is obtained by applying a Jastrow factor, which takes into account dynamical correlations, to the most general mean-field ground state, written either as an antisymmetrized geminal power with spin-singlet pairing or as a Pfaffian, including both singlet and triplet correlations. This WF can be viewed as an efficient implementation of the so-called resonating valence bond (RVB) Ansatz, first proposed by Pauling and Anderson in quantum chemistry [L. Pauling, The Nature of the Chemical Bond (Cornell University Press, 1960)] and condensed matter physics [P.W. Anderson, Mat. Res. Bull 8, 153 (1973)], respectively. The RVB Ansatz implemented in TurboRVB has a large variational freedom, including the Jastrow correlated Slater determinant as its simplest, but nontrivial case. Moreover, it has the remarkable advantage of remaining with an affordable computational cost, proportional to the one spent for the evaluation of a single Slater determinant. Therefore, its application to large systems is computationally feasible. The WF is expanded in a localized basis set. Several basis set functions are implemented, such as Gaussian, Slater, and mixed types, with no restriction on the choice of their contraction. The code implements the adjoint algorithmic differentiation that enables a very efficient evaluation of energy derivatives, comprising the ionic forces. Thus, one can perform structural optimizations and molecular dynamics in the canonical NVT ensemble at the VMC level. For the electronic part, a full WF optimization (Jastrow and antisymmetric parts together) is made possible, thanks to state-of-the-art stochastic algorithms for energy minimization. In the optimization procedure, the first guess can be obtained at the mean-field level by a built-in DFT driver. The code was efficiently parallelized by using a hybrid MPI-OpenMP protocol, which is also an ideal environment for exploiting the computational power of modern Graphics Processing Unit accelerators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

High-Fidelity Multidisciplinary Design Optimization Methodology with Application to Rotor Blades

A multidisciplinary design optimization procedure has been developed and applied to rotorcraft simulations involving tightly-coupled, high-fidelity computational fluid dynamics and comprehensive analysis. A discretely-consistent, adjoint-based sensitivity analysis available in the fluid dynamics solver provides sensitivities arising from unsteady turbulent flows on unstructured, dynamic, overset meshes, while a complex-variable approach is used to compute structural sensitivities with respect to aerodynamic loads. The multidisciplinary sensitivity analysis is conducted through integrating the sensitivity components from each discipline of the coupled system. Accuracy of the coupled system for high-fidelity rotorcraft analysis is verified; simulation results exhibit good agreement with established solutions. A constrained gradient-based design optimization for a HART-II rotorcraft configuration is demonstrated. The computational cost for individual components of the multidisciplinary sensitivity analysis is assessed and improved.

Wang, Li↗
DOE OSTI2023

Adjoint DSMC for nonlinear spatially-homogeneous Boltzmann equation with a general collision model

We derive an adjoint method for the Direct Simulation Monte Carlo (DSMC) method for the spatially homogeneous Boltzmann equation with a general collision law. This generalizes our previous results in Caflisch et al., which was restricted to the case of Maxwell molecules, for which the collision rate is constant. The main difficulty in generalizing the previous results is that a rejection sampling step is required in the DSMC algorithm in order to handle the variable collision rate. We find a new term corresponding to the so-called score function in the adjoint equation and a new adjoint Jacobian matrix capturing the dependence of the collision parameter on the velocities. The new formula works for a much more general class of collision models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Strong Upper-Plate Heterogeneity at the Hikurangi Subduction Margin (North Island, New Zealand) Imaged by Adjoint Tomography

We use earthquake-based adjoint tomography to invert for three-dimensional structure of the North Island, New Zealand, and the adjacent Hikurangi subduction zone. The study area, having a shallow depth to the plate interface below the North Island, offers a rare opportunity for imaging material properties at an active subduction zone using land-based measurements. Starting from an initial model derived using ray tomography, we perform iterative model updates using spectral element and adjoint simulations to fit waveforms with periods ranging from 4–30 s. We perform 28 model updates using an L-BFGS optimization algorithm, improving data fit and introducing P- and S-wave velocity changes of up to ±30%. Resolution analysis using point spread functions show that our measurements are most sensitive to heterogeneities in the upper 30 km. The most striking velocity changes coincide with areas related to the active Hikurangi subduction zone. Lateral velocity structures in the upper 5 km correlate well with New Zealand geology. Here, the inversion reveals increased along-strike heterogeneity on the margin. In Cook Strait we observe a low-velocity zone interpreted as deep sedimentary basins. In the central North Island, low-velocity anomalies are linked to surface geology, and we relate velocity structures at depth to crustal magmatic activity below the Taupō Volcanic Zone.

58 GEOSCIENCES↗
NASA NTRS1991

One shot methods for optimal control of distributed parameter systems 1: Finite dimensional control

The efficient numerical treatment of optimal control problems governed by elliptic partial differential equations (PDEs) and systems of elliptic PDEs, where the control is finite dimensional is discussed. Distributed control as well as boundary control cases are discussed. The main characteristic of the new methods is that they are designed to solve the full optimization problem directly, rather than accelerating a descent method by an efficient multigrid solver for the equations involved. The methods use the adjoint state in order to achieve efficient smoother and a robust coarsening strategy. The main idea is the treatment of the control variables on appropriate scales, i.e., control variables that correspond to smooth functions are solved for on coarse grids depending on the smoothness of these functions. Solution of the control problems is achieved with the cost of solving the constraint equations about two to three times (by a multigrid solver). Numerical examples demonstrate the effectiveness of the method proposed in distributed control case, pointwise control and boundary control problems.

Taasan, Shlomo↗
NASA NTRS1996

Optimum Transonic Airfoils Based on the Euler Equations

We solve the problem of determining airfoils that approximate, in a least square sense, given surface pressure distributions in transonic flight regimes. The flow is modeled by means of the Euler equations and the solution procedure is an adjoint- based minimization algorithm that makes use of the inverse Theodorsen transform in order to parameterize the airfoil. Fast convergence to the optimal solution is obtained by means of the pseudo-time method. Results are obtained using three different pressure distributions for several free stream conditions. The airfoils obtained have given a trailing edge angle.

Iollo, Angelo↗
NASA NTRSDate not supplied

Exergy-based Sensitivity Analysis of the Generic Hypersonic Vehicle using FUN3D

In this paper, the implementation of an exergy-based objective function and its adjoint gradient into NASA’s FUN3D solver is discussed and verified. In order to verify that the exergy-based functional is properly implemented, it is used to predict the drag of the Generic Hypersonic Vehicle (GHV), which is then compared to more traditional force-based drag predictions. In addition to the functional implementation, FUN3D’s adjoint capability was extended to obtain sensitivities. Results were verified using FUN3D’s native complex step method for di↵erentiation using a generic wing configuration. The complex and adjoint gradients yielded discrete agreement demonstrating correct implementation and that the functional can be used for gradient-based multidisciplinary analysis and optimization. Next, various trade studies are conducted on the GHV to understand the design space of the vehicle. Finally, an inverse design problem is solved to verify the utilized design optimization framework which is ready to be deployed for exergy-based optimizations in future work.

Neal L. Novotny↗