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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions

We present an implementation of all-electron density-functional theory for massively parallel GPU-based platforms, using localized atom-centered basis functions and real-space integration grids. Special attention is paid to domain decomposition of the problem on non-uniform grids, which enables compute- and memory-parallel execution across thousands of nodes for real-space operations, e.g. the update of the electron density, the integration of the real-space Hamiltonian matrix, and calculation of Pulay forces. To assess the performance of our GPU implementation, we performed benchmarks on three different architectures using a 103-material test set. We find that operations which rely on dense serial linear algebra show dramatic speedups from GPU acceleration: in particular, SCF iterations including force and stress calculations exhibit speedups ranging from 4.5 to 6.6. For the architectures and problem types investigated here, this translates to an expected overall speedup between 3–4 for the entire calculation (including non-GPU accelerated parts), for problems featuring several tens to hundreds of atoms. Additional calculations for a 375-atom Bi2Se3 bilayer show that the present GPU strategy scales for large-scale distributed-parallel simulations.

42 ENGINEERING↗
DOE OSTI2022

kynema-fmb [SWR-23-07]

Kynema-FMB (FKA: Kynema) is an open-source performance portable flexible multibody (FMB) dynamics solver designed for time-domain simulations. While originally tailored for wind turbine structural dynamics, the formulation and implementation are those of a general flexible-multidbody dynamics solver that can readily be applied to a wide range of systems. Kynema was designed with a narrow focus, namely to provide a lightweight, fast, accurate FMD solver for coupling to computational-fluid-dynamics (CFD) codes, especially the CFD codes in the Kynema suite, for fluid-structure-interaction (FSI) simulations. Kynema-FMB is equipped to model systems that can be represented as a collection of beams and rigid bodies that are connected through constraints. Degrees of freedom are defined in the inertial/global frame of reference and include displacements and rotations (formally as rotation matrices, but stored as quaternions). The underlying formulation is built on a Lie-group time integrator designed for index-3 differential-algebraic equations, which is second-order accurate in time (Bruls et al., 2012). Beam models are based on geometrically exact beam theory and are discretized as high-order spectral finite elements similar to those in BeamDyn (Wang et al., 2017). The governing equations for a FMD system like a wind turbine constitute a highly nonlinear system of constrained partial-differential equations. Kynema-FMB uses analytical Jacobians in the nonlinear-system solves in each time step. Linear systems use sparse storage and several third-party sparse-linear-system solvers are enabled. Ill conditioning of linear systems is mitigated with preconditioning described in Bottasso et al, 2008. Kynema-FMB is integrated with a simple open-source controller (ROSCO). There is an application programming interface (API) for coupling to geometry-resolved CFD (like that in Sharma et al., 2023) and actuator-force CFD (like that in Kuhn et al., 2025). In the latter, for actuator-line models, Kynema-FMB includes an internal blade-element solver that depends on user-provided lookup tables for coefficients of lift and drag, i.e., aerodynamic polars. Kynema-FMB is written in C++ and leverages Kokkos and Kokkos-Kernels (KokkosEcosystem) as its performance portability layer enabling simulations on both CPU and GPU systems. The repository is equipped with extensive automated testing at the unit and regression/system levels. The following describes the high-level development objectives conceived for Kynema: *Kynema will follow modern software development best practices, including test-driven development (TDD), version control, hierarchical automated testing, and continuous integration (CI) for a robust development environment. *The core data structures are memory efficient and enable vectorization and parallelization at multiple levels. *Data structures are data-oriented to exploit methods for accelerated computing including high utilization of chip resources (e.g., single instruction multiple data (SIMD) instruction sets) and parallelization using GP-GPUs. *The computational algorithms incorporate robust open-source libraries for mathematical operations, resource allocation, and data management. *The API design considers multiple stakeholder needs and ensure integration with existing and future ecosystems for data science, machine learning, and AI. *Kynema-FMB is written in modern C++ and leverages Kokkos as its performance-portability library with inspiration from the kynema stack.

Sprague, MichaelA.↗
NASA NTRS1987

Numerical simulation of three-dimensional unsteady vortex flow using a compact vorticity-velocity algorithm

A numerical algorithm is presented which is used to solve the unsteady, fully three-dimensional, incompressible Navier-Stokes equations in vorticity-velocity variables. A discussion of the discrete approximation scheme is presented as well as the solution method used to solve the resulting algebraic set of difference equations. Second order spatial and temporal accuracy is verified through solution comparisons with exact results obtained for steady three-dimensional stagnation point flow and unsteady axisymmetric vortex spin-up. In addition, results are presented for the problem of unsteady bubble-type vortex breakdown with emphasis on internal bubble dynamics and structure.

Gatski, T. B.↗
NASA NTRS1992

Reduced basis technique for calculating sensitivity coefficients of nonlinear structural response

An efficient reduced basis technique is presented for calculating the sensitivity of nonlinear structural response to variations in the design variables. The structure is discretized by using two-field mixed finite element models. The vector of structural response and its sensitivity coefficients (derivatives with respect to design variables) are each expressed as a linear combination of a small number of basis (or global approximation) vectors. The Bubnov-Galerkin technique is then used to approximate each of the finite element equations governing the response and the sensitivity coefficients by a small number of algebraic equations in the amplitudes of these vectors. The path derivatives (derivatives of the response vector with respect to path parameters, e.g., load parameters) are used as basis vectors for approximating the response. A combination of the path derivatives and their derivatives with respect to the design variables is used for approximating the sensitivity coefficients. The potential of the proposed technique is discussed and its effectiveness is demonstrated by means of numerical examples of laminated composite plates subjected to mechanical and thermal loads.

Noor, Ahmed K.↗
NASA NTRS1983

Reanalysis and design in structural dynamics

A unified efficient formulation for the static and dynamic reanalysis of locally modified structures is presented. The reanalysis problem is to find the structural responses when some of the element properties are adjusted as a result of design modifications or when additional structures are appended to the original system. The reanalysis problem is formulated as a problem of much lower order than the original system. This is achieved by utilizing the linearity property of the structure using the pseudoload concept together with the solution of the original system. The modifications to the structure are treated as displacement-dependent pseudoloads of the system. By expressing the modified system response as linear combinations of the response of the original system and a term depending on the pseudoload, a reduced set of response equations can be obtained. In the static and sinusoidal steady state analysis, this leads to a set of linear algebraic equations. For a free vibration analysis, this results in a reduced eigenvalue problem. Using these reduced equations, a design problem can be solved; that is, the magnitude of a specified local modification for given dynamic response characteristics can be calculated. Several examples are presented to illustrate the general formulations.

Wang, B. P.↗
NASA NTRS1993

A homotopy algorithm for digital optimal projection control GASD-HADOC

The linear-quadratic-gaussian (LQG) compensator was developed to facilitate the design of control laws for multi-input, multi-output (MIMO) systems. The compensator is computed by solving two algebraic equations for which standard closed-loop solutions exist. Unfortunately, the minimal dimension of an LQG compensator is almost always equal to the dimension of the plant and can thus often violate practical implementation constraints on controller order. This deficiency is especially highlighted when considering control-design for high-order systems such as flexible space structures. This deficiency motivated the development of techniques that enable the design of optimal controllers whose dimension is less than that of the design plant. A homotopy approach based on the optimal projection equations that characterize the necessary conditions for optimal reduced-order control. Homotopy algorithms have global convergence properties and hence do not require that the initializing reduced-order controller be close to the optimal reduced-order controller to guarantee convergence. However, the homotopy algorithm previously developed for solving the optimal projection equations has sublinear convergence properties and the convergence slows at higher authority levels and may fail. A new homotopy algorithm for synthesizing optimal reduced-order controllers for discrete-time systems is described. Unlike the previous homotopy approach, the new algorithm is a gradient-based, parameter optimization formulation and was implemented in MATLAB. The results reported may offer the foundation for a reliable approach to optimal, reduced-order controller design.

Collins, Emmanuel G., Jr.↗
NASA NTRS2017

Strategies Toward Automation of Overset Structured Surface Grid Generation

An outline of a strategy for automation of overset structured surface grid generation on complex geometries is described. The starting point of the process consists of an unstructured surface triangulation representation of the geometry derived from a native CAD, STEP, or IGES definition, and a set of discretized surface curves that captures all geometric features of interest. The procedure for surface grid generation is decomposed into an algebraic meshing step, a hyperbolic meshing step, and a gap-filling step. This paper will focus primarily on the high-level plan with details on the algebraic step. The algorithmic procedure for the algebraic step involves analyzing the topology of the network of surface curves, distributing grid points appropriately on these curves, identifying domains bounded by four curves that can be meshed algebraically, concatenating the resulting grids into fewer patches, and extending appropriate boundaries of the concatenated grids to provide proper overlap. Results are presented for grids created on various aerospace vehicle components.

overset↗
NASA NTRS2022

A Survey of Mathematical Structures for Lunar Networks

To sustain the current and increasing accessibility of space, a scalable communications infrastructure (i.e. the Solar System Internet, SSI) is necessary. The goal of this paper is to begin the discovery of the fundamental underlying mathematical structure of space networks to help the research community harness these structures for algorithm development and optimization. To ensure the applicability of the research, the approaches are considered through the lens of simulated scenarios inspired by the Artemis Back-to-the-Moon mission set for 2024. We note that any approach to an SSI must fit under the umbrella of Delay Tolerant Networking (DTN), due to celestial mobility, high link latencies, high variance in link latencies, disconnections, lack of end-to-end paths, and so on. These difficulties are exacerbated by the fact that the underlying structure of a space network is a time-evolving network and may experience multiple discontinuities in its topology. In this paper we propose several novel approaches to a mathematical foundation for Delay Tolerant Networking Theory that fall outside the traditional scope of temporal network theory. These techniques include methods from Topological Data Analysis, Dynamic Graph Analysis, Applied Algebraic Geometry, Probability Theory, and Game Theory. Some of these methods include tools adapted to the study of dynamic metric spaces, such as zigzag persistent homology and their higher parameter analogs. We find that several of these methods target desired engineering outcomes such as discovery and automatic sub-netting. While each approach is theoretical, they are also algorithmic in nature and offer immediate practical applications. The paper concludes with comparisons of the various methods along with suggestions for future work.

Delay tolerant networking↗
DOE OSTI2022

Calabi-Yau CFTs and random matrices

Using numerical methods for finding Ricci-flat metrics, we explore the spectrum of local operators in two-dimensional conformal field theories defined by sigma models on Calabi-Yau targets at large volume. Focusing on the examples of K3 and the quintic, we show that the spectrum, averaged over a region in complex structure moduli space, possesses the same statistical properties as the Gaussian orthogonal ensemble of random matrix theory.

superstring vacua↗
DOE OSTI2024

Null Raychaudhuri: canonical structure and the dressing time

Abstract We initiate a study of gravity focusing on generic null hypersurfaces, non-perturbatively in the Newton coupling. We present an off-shell account of the extended phase space of the theory, which includes the expected spin-2 data as well as spin-0, spin-1 and arbitrary matter degrees of freedom. We construct the charges and the corresponding kinematic Poisson brackets, employing a Beltrami parameterization of the spin-2 modes. We explicitly show that the constraint algebra closes, the details of which depend on the non-perturbative mixing between spin-0 and spin-2 modes. Finally we show that the spin zero sector encodes a notion of a clock, called dressing time, which is dynamical and conjugate to the constraint. It is well-known that the null Raychaudhuri equation describes how the geometric data of a null hypersurface evolve in null time in response to gravitational radiation and external matter. Our analysis leads to three complementary viewpoints on this equation. First, it can be understood as a Carrollian stress tensor conservation equation. Second, we construct spin-0, spin-2 and matter stress tensors that act as generators of null time reparametrizations for each sector. This leads to the perspective that the null Raychaudhuri equation can be understood as imposing that the sum of CFT-like stress tensors vanishes. Third, we solve the Raychaudhuri constraint non-perturbatively. The solution relates the dressing time to the spin-2 and matter boost charge operators. Finally we establish that the corner charge corresponding to the boost operator in the dressing time frame is monotonic. These results show that the notion of an observer can be thought of as emerging from the gravitational degrees of freedom themselves. We briefly mention that the construction offers new insights into focusing conjectures.

Physics↗
DOE OSTI2022

Fractionalization of subsystem symmetries in two dimensions

The fractionalization of global symmetry charges is a striking hallmark of topological quantum order. Here, we discuss the fractionalization of subsystem symmetries in two-dimensional topological phases. In line with previous no-go arguments, we show that subsystem symmetry fractionalization is not possible in many cases due to the additional rigid geometric structure of the symmetries. However, we identify a mechanism that allows fractionalization, involving global relations between macroscopically many symmetry generators. We find that anyons can fractionalize such relations, meaning that the total charge carried under all generators involved in the global relation is nontrivial, despite the fact that these generators multiply to the identity. We first discuss the general algebraic framework needed to characterize this type of fractionalization, and then explore this framework using a number of exactly solvable models with Z 2 topological order, including models having line and fractal symmetries. These models all showcase another necessary property of subsystem symmetry fractionalization: Fractionalized anyons must have restricted mobility when the symmetry is enforced, such that they are confined to a single line or point in the case of line and fractal symmetries, respectively. Looking forward, we expect that our identification of the importance of global relations in fractionalization will hold significance for the classification of phases with subsystem symmetries in all dimensions.

2-dimensional systems↗
NASA NTRS1976

Periodic solutions to systems of reaction-diffusion equations

Necessary and sufficient conditions are derived for the existence of temporally periodic 'dissipative structure' solutions in weak diffusion with the reaction rate terms dominant in a generic system of reaction-diffusion differential equations. The enumerator index i of the equations denotes the density or concentration of the ith participating molecular or biological species, and D sub i is the diffusivity constant for the ith species while Q sub i (c), an algebraic function of the n-tuple c, expresses the local rate of production of the ith species due to chemical reactions or biological interactions.

Rosen, G.↗
NASA NTRS1980

Erosion of composite materials

A model for describing the response of uncoated and coated fiber reinforced composites subjected to repeated impingements of liquid (rain) droplets is presented. The model is based on the concept that fatigue is the dominant factor in the erosion process. Algebraic expressions are provided which give the incubation period, the rate of mass loss past the incubation period, and the total mass loss of the material during rain impact. The influence of material properties on erosion damage and the protection offered by different coatings are discussed and the use of the model in the design in the design of structures and components is illustrated.

Springer, G. S.↗
NASA NTRS1978

Structural Dynamics, Stability, and Control of Helicopters

The dynamic synthesis of gyroscopic structures consisting of point-connected substructures is investigated. The objective is to develop a mathematical model capable of an adequate simulation of the modal characteristics of a helicopter using a minimum number of degrees of freedom. The basic approach is to regard the helicopter structure as an assemblage of flexible substructures. The variational equations for the perturbed motion about certain equilibrium solutions are derived. The discretized variational equations can be conveniently exhibited in matrix form, and a great deal of information about the system modal characteristics can be extracted from the coefficient matrices. The derivation of the variational equations requires a monumental amount of algebraic operations. To automate this task a symbolic manipulation program on a digital computer is developed.

Meirovitch, L.↗
NASA NTRS1983

Computation of supersonic viscous flows around pointed bodies at large incidence

A recently reported parabolized Navier-Stokes method has been extended to compute turbulent supersonic flows around cones and an ogive-cylinder body at large incidence. The algebraic eddy-viscosity turbulence model contained in the code was modified to properly account for the large regions of cross-flow separation that occur in these flows. Extensive comparisons between computed results and experimentally measured flow fields are presented. The results show good agreement for viscous-layer profiles and details of the external leeward-side vortex structure at angles of attack up to three times the cone half angles. Details of the modified turbulence model are presented and discussed.

Degani, D.↗
NASA NTRS1990

PLA realizations for VLSI state machines

A major problem associated with state assignment procedures for VLSI controllers is obtaining an assignment that produces minimal or near minimal logic. The key item in Programmable Logic Array (PLA) area minimization is the number of unique product terms required by the design equations. This paper presents a state assignment algorithm for minimizing the number of product terms required to implement a finite state machine using a PLA. Partition algebra with predecessor state information is used to derive a near optimal state assignment. A maximum bound on the number of product terms required can be obtained by inspecting the predecessor state information. The state assignment algorithm presented is much simpler than existing procedures and leads to the same number of product terms or less. An area-efficient PLA structure implemented in a 1.0 micron CMOS process is presented along with a summary of the performance for a controller implemented using this design procedure.

Gopalakrishnan, S.↗
NASA NTRS1995

A Data Parallel Multizone Navier-Stokes Code

We have developed a data parallel multizone compressible Navier-Stokes code on the Connection Machine CM-5. The code is set up for implicit time-stepping on single or multiple structured grids. For multiple grids and geometrically complex problems, we follow the "chimera" approach, where flow data on one zone is interpolated onto another in the region of overlap. We will describe our design philosophy and give some timing results for the current code. The design choices can be summarized as: 1. finite differences on structured grids; 2. implicit time-stepping with either distributed solves or data motion and local solves; 3. sequential stepping through multiple zones with interzone data transfer via a distributed data structure. We have implemented these ideas on the CM-5 using CMF (Connection Machine Fortran), a data parallel language which combines elements of Fortran 90 and certain extensions, and which bears a strong similarity to High Performance Fortran (HPF). One interesting feature is the issue of turbulence modeling, where the architecture of a parallel machine makes the use of an algebraic turbulence model awkward, whereas models based on transport equations are more natural. We will present some performance figures for the code on the CM-5, and consider the issues involved in transitioning the code to HPF for portability to other parallel platforms.

Jespersen, Dennis C.↗
NASA NTRS2015

A Numerical and Experimental Study of Coflow Laminar Diffusion Flames: Effects of Gravity and Inlet Velocity

In this work, the influence of gravity, fuel dilution, and inlet velocity on the structure, stabilization, and sooting behavior of laminar coflow methane-air diffusion flames was investigated both computationally and experimentally. A series of flames measured in the Structure and Liftoff in Combustion Experiment (SLICE) was assessed numerically under microgravity and normal gravity conditions with the fuel stream CH4 mole fraction ranging from 0.4 to 1.0. Computationally, the MC-Smooth vorticity-velocity formulation of the governing equations was employed to describe the reactive gaseous mixture; the soot evolution process was considered as a classical aerosol dynamics problem and was represented by the sectional aerosol equations. Since each flame is axisymmetric, a two-dimensional computational domain was employed, where the grid on the axisymmetric domain was a nonuniform tensor product mesh. The governing equations and boundary conditions were discretized on the mesh by a nine-point finite difference stencil, with the convective terms approximated by a monotonic upwind scheme and all other derivatives approximated by centered differences. The resulting set of fully coupled, strongly nonlinear equations was solved simultaneously using a damped, modified Newton's method and a nested Bi-CGSTAB linear algebra solver. Experimentally, the flame shape, size, lift-off height, and soot temperature were determined by flame emission images recorded by a digital camera, and the soot volume fraction was quantified through an absolute light calibration using a thermocouple. For a broad spectrum of flames in microgravity and normal gravity, the computed and measured flame quantities (e.g., temperature profile, flame shape, lift-off height, and soot volume fraction) were first compared to assess the accuracy of the numerical model. After its validity was established, the influence of gravity, fuel dilution, and inlet velocity on the structure, stabilization, and sooting tendency of laminar coflow methane-air diffusion flames was explored further by examining quantities derived from the computational results.

microgravity↗