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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13

Sampling Functions from Gaussian Processes and Structured Covariance Gaussian Networks

When learning aerodynamic models from data, it is critical to incorporate estimates of model uncertainty. This motivates the design of probabilistic aerodynamic databases which can be sampled to generate physically and statistically plausible aerodynamic models. In this talk we discuss how to sample deterministic functions from two different kinds of probabilistic models and demonstrate their use. First, Gaussian Process Regressors (GPRs) are a widely used probabilistic kernel-based model which can be thought of as Gaussian distributions over functions. GPRs are generally trained by maximizing the marginal likelihood of seeing the training data over the kernel parameter space. Sample functions are easily generated by drawing points from the Gaussian distribution at desired input points. However, when the points are not known ahead of time, the classical sampling approach is not possible since successive function samples will generate different function realizations. We present an approach for sampling consistent function evaluations from a GPR over multiple samples. Second, we describe a neural network architecture which learns a conditional Gaussian distribution by maximizing the marginal likelihood at each point in the input space. We then discuss and compare several options for generating sample functions which match this distribution. Finally, we demonstrate the use of these probabilistic aerodynamic models in an atmospheric reentry simulation.

Gaussian process regression↗

Common radiation analysis model for 75,000 pound thrust NERVA engine (1137400E)

The mathematical model and sources of radiation used for the radiation analysis and shielding activities in support of the design of the 1137400E version of the 75,000 lbs thrust NERVA engine are presented. The nuclear subsystem (NSS) and non-nuclear components are discussed. The geometrical model for the NSS is two dimensional as required for the DOT discrete ordinates computer code or for an azimuthally symetrical three dimensional Point Kernel or Monte Carlo code. The geometrical model for the non-nuclear components is three dimensional in the FASTER geometry format. This geometry routine is inherent in the ANSC versions of the QAD and GGG Point Kernal programs and the COHORT Monte Carlo program. Data are included pertaining to a pressure vessel surface radiation source data tape which has been used as the basis for starting ANSC analyses with the DASH code to bridge into the COHORT Monte Carlo code using the WANL supplied DOT angular flux leakage data. In addition to the model descriptions and sources of radiation, the methods of analyses are briefly described.

Warman, E. A.↗

Minimum entropy filtering for a single output non-Gaussian stochastic system using state transformation

This paper presents a novel filter design for the single-output stochastic non-linear systems subjected to non-Gaussian noises and the proposed assumptions. Based on a state transformation, the unmeasurable states of the systems can be estimated where non-linear terms in the systems have been eliminated. It has been shown that the estimation error is linearly dynamical regarding to the presented vector-valued filter gain which can be optimised by minimising the entropy-based performance criterion. In addition, the convergence of the presented algorithm is analysed in mean-square sense and a numerical example is given to verify the effectiveness of the presented filtering algorithm. Meanwhile, the extended Kalman filter, unscented particle filter and minimum entropy filter are given for the comparisons of the filtering performance. Following the presented framework, some extensions of the presented filtering algorithm are discussed to indicate the flexibility of the filter design. The contribution of this paper can be summarised as establishing a novel minimum entropy filtering framework which consists of model transformation, entropy optimisation and convergence analysis.

42 ENGINEERING↗

FSISPH: An SPH formulation for impacts between dissimilar materials

Here, we present an SPH formulation with several new features designed to better model the fully-compressible interaction of dissimilar materials. We developed the new method to simulate the atmospheric entry and break-up of small celestial bodies in planetary atmospheres. The formulation uses a unity-based, density-energy discretization of the hydrodynamic conservation laws with linear-corrected kernel gradients. To account for variations in compressibility, we use an HLLC approximate Riemann solver to adjust the velocity gradient at material interfaces. To handle large transverse velocity discontinuities, we introduce a simple slip interface model that limits the artificial viscosity at material interfaces. Diffusion is optionally applied through the velocity gradient and this allows the density and specific thermal energy to evolve in a manner more consistent with the first law of thermodynamics in comparison to other more direct diffusion schemes. We also introduce a material-local second-order artificial conduction scheme used to smooth the specific thermal energy field. Material damage fits neatly under this framework by treating the damage front as a material interface. The method has been implemented as a solver, FSISPH, within the code, Spheral++, and is publicly available on github. We test our new solver on a number of classic shock, mixing, and multi-material problem. The components we outline can significantly improve accuracy of SPH for problems with sharp contact discontinuities.

79 ASTRONOMY AND ASTROPHYSICS↗

Analysis of preflutter and postflutter characteristics with motion-matched aerodynamic forces

The development of the equations of dynamic equilibrium for a lifting surface from Lagrange's equation is reviewed and restated for general exponential growing and decaying oscillatory motion. Aerodynamic forces for this motion are obtained from the three-dimensional supersonic kernel function that is newly generalized to complex reduced frequencies. Illustrative calculations were made for two flutter models at supersonic Mach numbers. Preflutter and postflutter motion isodecrement curves were obtained. This type of analysis can be used to predict preflutter behavior during flutter testing and to predict postflutter behavior for use in the design of flutter suppression systems.

Cunningham, H. J.↗

A higher order panel method for general analysis and design applications in subsonic flow

A higher-order panel method is described for numerical solution of boundary-value problems relating to steady inviscid irrotational incompressible subsonic fluid flow in a domain. Both Neumann and Dirichlet boundary conditions are treated; two types of auxiliary conditions are used to remove the degrees of freedom that arise from specifying only the derivative of the perturbation velocity potential. Four general network types and two expansions of the induced potential kernel are employed in the numerical solution. Some results are presented which illustrate the modeling options and numerical characteristics of the method.

Johnson, F. T.↗

PERKS: a Locality-Optimized Execution Model for Iterative Memory-bound GPU Applications

Iterative memory-bound solvers commonly occur in HPC codes. Typical GPU implementations have a loop on the host side that invokes the GPU kernel as much as time/algorithm steps there are. The termination of each kernel implicitly acts the barrier required after advancing the solution every time step. We propose an execution model for running memory-bound iterative GPU kernels: PERsistent KernelS (PERKS). In this model, the time loop is moved inside persistent kernel, and device-wide barriers are used for synchronization. We then reduce the traffic to device memory by caching subset of the output in each time step in the unused registers and shared memory. PERKS can be generalized to any iterative solver: they largely independent of the solver's implementation. We explain the design principle of PERKS and demonstrate effectiveness of PERKS for a wide range of iterative 2D/3D stencil benchmarks (geomean speedup of 2.12x for 2D stencils and 1.24x for 3D stencils over state-of-art libraries), and a Krylov subspace conjugate gradient solver (geomean speedup of 4.86x in smaller SpMV datasets from SuiteSparse and 1.43x in larger SpMV datasets over a state-of-art library). All PERKS-based implementations available at: https://github.com/neozhang307/PERKS.

Zhang, Lingqi↗

Parallel language constructs for tensor product computations on loosely coupled architectures

Distributed memory architectures offer high levels of performance and flexibility, but have proven awkard to program. Current languages for nonshared memory architectures provide a relatively low level programming environment, and are poorly suited to modular programming, and to the construction of libraries. A set of language primitives designed to allow the specification of parallel numerical algorithms at a higher level is described. Tensor product array computations are focused on along with a simple but important class of numerical algorithms. The problem of programming 1-D kernal routines is focused on first, such as parallel tridiagonal solvers, and then how such parallel kernels can be combined to form parallel tensor product algorithms is examined.

Mehrotra, Piyush↗

Boron-Made N 2 : Realization of a B$\equiv$B Triple Bond in the B 2 Al 3 – Cluster

Until now, all B≡B triple bonds have been achieved by adopting two ligands in the L→B≡B←L manner. Herein, we report an alternative route of designing the B≡B bonds based on the assumption that by acquiring two extra electrons, an element with the atomic number Z can have properties similar to those of the element with the atomic number Z + 2. Specifically, we show that due to the electron donation from Al to B, the negatively charged B≡B kernel in the B 2 Al 3 – cluster mimics a triple N≡N bond. Comprehensive computational searches reveal that the global minimum structure of B 2 Al 3 – exhibits a direct B–B distance of 1.553 Å, and its calculated electron vertical detachment energies are in excellent agreement with the corresponding values of the experimental photoelectron spectrum. Chemical bonding analysis revealed one σ and two π bonds between the two B atoms, thus confirming a classical textbook B≡B triple bond, similar to that of N 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Method of Green’s Potentials for Elliptic PDEs in Domains with Random Apertures

Problems with topological uncertainties appear in many fields ranging from nano-device engineering to the design of bridges. In many of such problems, a part of the domains boundaries is subjected to random perturbations making inefficient conventional schemes that rely on discretization of the whole domain. Here, we study elliptic PDEs in domains with boundaries comprised of a deterministic part and random apertures, and apply the method of modified potentials with Green’s kernels defined on the deterministic part of the domain. This approach allows to reduce the dimension of the original differential problem by reformulating it as a boundary integral equation posed on the random apertures only. The multilevel Monte Carlo method is then applied to this modified integral equation and its optimal ϵ -2 asymptotical complexity is shown. Finally, we provide the qualitative analysis of the proposed technique and support it with numerical results.

97 MATHEMATICS AND COMPUTING↗

Batched sparse direct solver design and evaluation in SuperLU_DIST

Over the course of interactions with various application teams, the need for batched sparse linear algebra functions has emerged in order to make more efficient use of the GPUs for many small and sparse linear algebra problems. In this paper, we present our recent work on a batched sparse direct solver for GPUs. The sparse LU factorization is computed by the levels of the elimination tree, leveraging the batched dense operations at each level and a new batched Scatter GPU kernel. The sparse triangular solve is computed by the level sets of the directed acyclic graph (DAG) of the triangular matrix. Batched operations overcome the large overhead associated with launching many small kernels. For medium sized matrix batches with not-so-small bandwidth, using an NVIDIA A100 GPU, our new batched sparse direct solver is orders of magnitude faster than a batched banded solver and uses less than one-tenth of the memory.

Boukaram, Wajih↗

Stress Concentration and Fracture at Inter-variant Boundaries in an Al-Li Alloy

Delamination fracture has limited the use of lightweight Al-Li alloys. Studies of secondary, delamination cracks in alloy 2090, L-T fracture toughness samples showed grain boundary failure between variants of the brass texture component. Although the adjacent texture variants, designated B(sub s1) and B(sub s2), behave similarly during rolling, their plastic responses to mechanical tests can be quite different. EBSD data from through-thickness scans were used to generate Taylor factor maps. When a combined boundary normal and shear tensor was used in the calculation, the delaminating grains showed the greatest Taylor Factor differences of any grain pairs. Kernel Average Misorientation (KAM) maps also showed damage accumulation on one side of the interface. Both of these are consistent with poor slip accommodation from a crystallographically softer grain to a harder one. Transmission electron microscopy was used to confirm the EBSD observations and to show the role of slip bands in the development of large, interfacial stress concentrations. A viewgraph presentation accompanies the provided abstract.

Crooks, Roy↗

Sensitivity Analysis of Wing Aeroelastic Responses

Design for prevention of aeroelastic instability (that is, the critical speeds leading to aeroelastic instability lie outside the operating range) is an integral part of the wing design process. Availability of the sensitivity derivatives of the various critical speeds with respect to shape parameters of the wing could be very useful to a designer in the initial design phase, when several design changes are made and the shape of the final configuration is not yet frozen. These derivatives are also indispensable for a gradient-based optimization with aeroelastic constraints. In this study, flutter characteristic of a typical section in subsonic compressible flow is examined using a state-space unsteady aerodynamic representation. The sensitivity of the flutter speed of the typical section with respect to its mass and stiffness parameters, namely, mass ratio, static unbalance, radius of gyration, bending frequency, and torsional frequency is calculated analytically. A strip theory formulation is newly developed to represent the unsteady aerodynamic forces on a wing. This is coupled with an equivalent plate structural model and solved as an eigenvalue problem to determine the critical speed of the wing. Flutter analysis of the wing is also carried out using a lifting-surface subsonic kernel function aerodynamic theory (FAST) and an equivalent plate structural model. Finite element modeling of the wing is done using NASTRAN so that wing structures made of spars and ribs and top and bottom wing skins could be analyzed. The free vibration modes of the wing obtained from NASTRAN are input into FAST to compute the flutter speed. An equivalent plate model which incorporates first-order shear deformation theory is then examined so it can be used to model thick wings, where shear deformations are important. The sensitivity of natural frequencies to changes in shape parameters is obtained using ADIFOR. A simple optimization effort is made towards obtaining a minimum weight design of the wing, subject to flutter constraints, lift requirement constraints for level flight and side constraints on the planform parameters of the wing using the IMSL subroutine NCONG, which uses successive quadratic programming.

Issac, Jason Cherian↗

Implementing real-time robotic systems using CHIMERA II

A description is given of the CHIMERA II programming environment and operating system, which was developed for implementing real-time robotic systems. Sensor-based robotic systems contain both general- and special-purpose hardware, and thus the development of applications tends to be a time-consuming task. The CHIMERA II environment is designed to reduce the development time by providing a convenient software interface between the hardware and the user. CHIMERA II supports flexible hardware configurations which are based on one or more VME-backplanes. All communication across multiple processors is transparent to the user through an extensive set of interprocessor communication primitives. CHIMERA II also provides a high-performance real-time kernel which supports both deadline and highest-priority-first scheduling. The flexibility of CHIMERA II allows hierarchical models for robot control, such as NASREM, to be implemented with minimal programming time and effort.

Stewart, David B.↗

Blueprints for Training Information Bottlenecks for Collider Analyses

Dimensionality reduction is a crucial aspect of data analysis in high energy physics, even if accompanied by information loss. Several methods, including histogram- and kernel-based analyses, are only computationally feasible for low-dimensional data. Furthermore, simulation models used in HEP can often only be validated for low-dimensional data. We provide several blueprints for using machine learning to create low-dimensional data representations (continuous event variables and discrete classification labels) for use in signal discovery and parameter estimation tasks. We also describe how to design the learned representation to facilitate a) searches with unknown model parameters and b) validation of simulation models in data control regions.

43 PARTICLE ACCELERATORS↗

Fuel Specification for Uranium Monocarbide FAST Fuel Specimens

This specification outlines the fabrication requirements for kernel compact uranium monocarbide (UC) fuel to be fabricated at General Atomics (GA) and is already issued in EDMS and is going thru LRS so that it can be shared with the Vendor. The UC fuel will be irradiated in the Advanced Test Reactor (ATR) using the Irradiation System for High-Throughput Acquisition (ISHA-1). The primary objective of the ISHA-1 capsule design is to deliver to Idaho National Lab (INL) a semi-universal drop-in capsule that can facilitate the irradiation of both fissile and structural materials in a variety of ATR positions. This irradiation experiment will support the need for development of Accelerated Fuel Qualification (AFQ) methods.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Continuum electromagnetic gyrokinetic simulations of turbulence in the tokamak scrape-off layer and laboratory devices

Here, we present algorithms and results from Gkeyll, a full-f continuum, electromagnetic gyrokinetic code, designed to study turbulence in the edge region of fusion devices. The edge is computationally very challenging, requiring robust algorithms that can handle large-amplitude fluctuations and stable interactions with plasma sheaths. We present an energy-conserving high-order discontinuous Galerkin scheme that solves gyrokinetic equations in Hamiltonian form. Efficiency is improved by a careful choice of basis functions and automatically generated computation kernels. Previous verification tests were performed in the straight-field-line large plasma device [Shi et al., J. Plasma Phys. 83, 905830304 (2017)] and the Texas Helimak, a simple magnetized torus [Bernard et al., Phys. Plasmas 26, 042301 (2019)], including the effect of end-plate biasing on turbulence. Results for the scrape-off layer for NSTX parameters with a model helical magnetic geometry with bad curvature have been obtained [Shi et al., Phys. Plasmas 26, 012307 (2019)]. In this paper, we present algorithms for the two formulations of electromagnetic gyrokinetics: the Hamiltonian and the symplectic. We describe each formulation and show results of benchmark tests. Although our scheme works for the Hamiltonian formulation, the presence of spurious numerical modes for high-β and large $k^2_⊥ρ^2_s$ regimes shows that the symplectic formulation is more robust. We then review our recent algorithm for the symplectic formulation [Mandell et al., J. Plasma Phys. 86, 905860109 (2020)], along with example application of this new capability. Maintaining positivity of the distribution function can be challenging, and we describe a new and novel exponential recovery based algorithm to address this.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Numerical eigen-spectrum slicing, accurate orthogonal eigen-basis, and mixed-precision eigenvalue refinement using OpenMP data-dependent tasks and accelerator offload

Performing a variety of numerical computations efficiently and, at the same time, in a portable fashion requires both an overarching design followed by a number of implementation strategies. All of these are exemplified below as we present transitioning the PLASMA numerical library from relying on dependence-driven large tasks to achieving utilization of fine grain tasking and offload to hardware accelerators while keeping its core dependence sets: OpenMP source code pragmas and runtime for most system-level functionality and basic low-level numerical kernels provided directly by hardware vendors or open source projects with vendor contributions. We also present new algorithmic methods and their efficient parallel implementations including fine grained tasking for eigen-spectrum slicing and offload for mixed-precision eigenvalue refinement. We provide performance, scaling, and numerical results showing sizable gains over the available solutions from either the open source and vendor-provided packages.

Luszczek, Piotr↗