Fast Computational Kinetics Program
Batch kinetics (1-D) algorithm development, stirred reactor (O-D) algorithm development, and interactive computer programs are summarized.
Pratt, D. T.↗
SEARCH · Engineering Papers
Results for “Computer algorithms”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Parallel algorithms for mapping pipelined and parallel computations
Many computational problems in image processing, signal processing, and scientific computing are naturally structured for either pipelined or parallel computation. When mapping such problems onto a parallel architecture it is often necessary to aggregate an obvious problem decomposition. Even in this context the general mapping problem is known to be computationally intractable, but recent advances have been made in identifying classes of problems and architectures for which optimal solutions can be found in polynomial time. Among these, the mapping of pipelined or parallel computations onto linear array, shared memory, and host-satellite systems figures prominently. This paper extends that work first by showing how to improve existing serial mapping algorithms. These improvements have significantly lower time and space complexities: in one case a published O(nm sup 3) time algorithm for mapping m modules onto n processors is reduced to an O(nm log m) time complexity, and its space requirements reduced from O(nm sup 2) to O(m). Run time complexity is further reduced with parallel mapping algorithms based on these improvements, which run on the architecture for which they create the mappings.
Nicol, David M.↗
LCOE Design Optimization Using Genetic Algorithm with Improved Component Models for Medium-Voltage Transformerless PV Inverters
For real-world installations of photovoltaic and other renewable energy resources, the critical design metric is the levelized cost of energy (LCOE); however, many power electronics design optimizations are performed with efficiency and power density as the primary design goals. Recent work has shown that a new LCOE-focused optimization approach can yield improved system designs balancing cost and energy generation. This paper expands the LCOE optimization approach by considering comprehensive optimization parameters, adding new modeling of inductor cost, extending the semiconductor model to include effects of losses on housing cost, and implementing a genetic algorithm to improve computation efficiency.
41 EE - Solar Energy Technologies Office (EE-4S)↗
Efficient Jitter Analysis for Spacecraft
Typically in space missions, the science instruments require a specific degree of pointing accuracy as well as dynamical quietness. This dynamical quietness, which is needed to allow the instruments to make measurements (remote sensing applications) or perform other functions, is usually characterized in terms of jitter and stability specifications. In order to insure that the spacecraft meets the requirements of its instruments, several jitter analyses are performed throughout the design phase of the spacecraft and beyond as the models of the spacecraft, its components, and disturbances mature. Each such analysis involves the simulation of the spacecraft and instrument dynamical response to all known disturbance scenarios, followed by the computation of jitter values for each instrument based on the specified jitter time windows. The direct approach for computing jitter values by sweeping maxima and minima throughout the time history may be costly in the computational sense as the size and number of the time histories involved could be quite large. Keeping in mind that typical spacecraft simulation time histories may easily involve hundreds of thousands or millions of points, it is imperative that a jitter analysis algorithm be developed which is more efficient than the direct approach. This paper presents a vectorized algorithm for efficient computation of spacecraft jitter values. The algorithm identifies the extreme points in the time history, which are the points that may dominate the jitter values depending on the location of the jitter window along the time history. The span of influence of each extremum is then computed by the algorithm and used in an efficient and vectorized fashion to obtain the jitter values. The algorithm deals with the multiple jitter windows 2 sequentially, first computing jitter values for the smallest time window, then looping over the remaining time windows until all jitter values are computed. A numerical example is carried out to demonstrate the efficiency and feasibility of the proposed jitter analysis technique.
Maghami, Peiman G.↗
Parallel conjugate gradient algorithms for manipulator dynamic simulation
Parallel conjugate gradient algorithms for the computation of multibody dynamics are developed for the specialized case of a robot manipulator. For an n-dimensional positive-definite linear system, the Classical Conjugate Gradient (CCG) algorithms are guaranteed to converge in n iterations, each with a computation cost of O(n); this leads to a total computational cost of O(n sq) on a serial processor. A conjugate gradient algorithms is presented that provide greater efficiency using a preconditioner, which reduces the number of iterations required, and by exploiting parallelism, which reduces the cost of each iteration. Two Preconditioned Conjugate Gradient (PCG) algorithms are proposed which respectively use a diagonal and a tridiagonal matrix, composed of the diagonal and tridiagonal elements of the mass matrix, as preconditioners. Parallel algorithms are developed to compute the preconditioners and their inversions in O(log sub 2 n) steps using n processors. A parallel algorithm is also presented which, on the same architecture, achieves the computational time of O(log sub 2 n) for each iteration. Simulation results for a seven degree-of-freedom manipulator are presented. Variants of the proposed algorithms are also developed which can be efficiently implemented on the Robot Mathematics Processor (RMP).
Fijany, Amir↗
Algorithm for worst error in linear systems with bounded input and its rate of change.
Computational worst error algorithm for linear systems and quadratic error criteria, showing flowgraph and computer execution results
ERROR DETECTING CODE↗
Research study to develop methods for solving problems associated with space vehicles Monthly progress report /Final/
Trigonometric function algorithms for algebraic simplification in computer programs
COMPUTER PROGRAM↗
X-ray computed tomography-based porosity analysis: Algorithms and application for porous woody biomass
The properties of lignocellulosic biomass, such as bulk physical, thermal, and mechanical properties, as well as the mobility of enzymes or catalysts, are largely affected by porosity, pore structures, and pore size distribution. While X-ray computed tomography (CT) has been introduced to effectively produce 3D volumetric images of material microstructure, a quantitative porosity analysis from the 3D images has never been done. This work introduces a first-of-its-kind X-ray CT-based quantitative porosity analysis method and applies the developed toolkit to characterize the internal porosity distribution of loblolly pine. A sample loblolly pine chip was scanned by a nano-resolution X-ray CT system and digitally reconstructed after a sequence of image processing operations. Here, a comprehensive porosity analysis was then performed to quantify the envelope porosity, the spatial distribution of local porosity, and the directional porosity. Solutions to the various challenges in image processing, porosity calculation, and large data handling are provided.
42 ENGINEERING↗
On the application of a fast polynomial transform and the Chinese remainder theorem to compute a two-dimensional convolution
A fast algorithm is developed to compute two dimensional convolutions of an array of d sub 1 X d sub 2 complex number points, where d sub 2 = 2(M) and d sub 1 = 2(m-r+) for some 1 or = r or = m. This algorithm requires fewer multiplications and about the same number of additions as the conventional fast fourier transform method for computing the two dimensional convolution. It also has the advantage that the operation of transposing the matrix of data can be avoided.
Truong, T. K.↗
Quantum computing for fusion energy science applications
This is a review of recent research exploring and extending present-day quantum computing capabilities for fusion energy science applications. We begin with a brief tutorial on both ideal and open quantum dynamics, universal quantum computation, and quantum algorithms. Then, we explore the topic of using quantum computers to simulate both linear and nonlinear dynamics in greater detail. Because quantum computers can only efficiently perform linear operations on the quantum state, it is challenging to perform nonlinear operations that are generically required to describe the nonlinear differential equations of interest. In this work, we extend previous results on embedding nonlinear systems within linear systems by explicitly deriving the connection between the Koopman evolution operator, the Perron–Frobenius evolution operator, and the Koopman–von Neumann evolution (KvN) operator. We also explicitly derive the connection between the Koopman and Carleman approaches to embedding. Extension of the KvN framework to the complex-analytic setting relevant to Carleman embedding, and the proof that different choices of complex analytic reproducing kernel Hilbert spaces depend on the choice of Hilbert space metric are covered in the appendixes. Finally, we conclude with a review of recent quantum hardware implementations of algorithms on present-day quantum hardware platforms that may one day be accelerated through Hamiltonian simulation. We discuss the simulation of toy models of wave–particle interactions through the simulation of quantum maps and of wave–wave interactions important in nonlinear plasma dynamics.
Joseph, I. (ORCID:0000000255400840)↗
Design and Implementation of Software Algorithms for TOPEX/Poseidon Onboard Ephemeris Representations
The design and implementation of the software algorithms used to compute least squares approximations of the TOPEX and TDRS ephemerides are described. These algorithms are part of the ground support computer program OBCGEN, which generates ephemeris representations for the onboard computer (OBC).
command↗
Multidisciplinary Aerodynamic-Structural Shape Optimization Using Deformation (MASSOUD)
This paper presents a multidisciplinary shape parameterization approach. The approach consists of two basic concepts: (1) parameterizing the shape perturbations rather than the geometry itself and (2) performing the shape deformation by means of the soft object animation algorithms used in computer graphics. Because the formulation presented in this paper is independent of grid topology, we can treat computational fluid dynamics and finite element grids in a similar manner. The proposed approach is simple, compact, and efficient. Also, the analytical sensitivity derivatives are easily computed for use in a gradient-based optimization. This algorithm is suitable for low-fidelity (e.g., linear aerodynamics and equivalent laminated plate structures) and high-fidelity (e.g., nonlinear computational fluid dynamics and detailed finite element modeling analysis tools. This paper contains the implementation details of parameterizing for planform, twist, dihedral, thickness, camber, and free-form surface. Results are presented for a multidisciplinary design optimization application consisting of nonlinear computational fluid dynamics, detailed computational structural mechanics, and a simple performance module.
Samareh, Jamshid A.↗
Multidisciplinary Aerodynamic-Structural Shape Optimization Using Deformation (MASSOUD)
This paper presents a multidisciplinary shape parameterization approach. The approach consists of two basic concepts: (1) parameterizing the shape perturbations rather than the geometry itself and (2) performing the shape deformation by means of the soft object animation algorithms used in computer graphics. Because the formulation presented in this paper is independent of grid topology, we can treat computational fluid dynamics and finite element grids in the same manner. The proposed approach is simple, compact, and efficient. Also, the analytical sensitivity derivatives are easily computed for use in a gradient-based optimization. This algorithm is suitable for low-fidelity (e.g., linear aerodynamics and equivalent laminate plate structures) and high-fidelity (e.g., nonlinear computational fluid dynamics and detailed finite element modeling) analysis tools. This paper contains the implementation details of parameterizing for planform, twist, dihedral, thickness, camber, and free-form surface. Results are presented for a multidisciplinary application consisting of nonlinear computational fluid dynamics, detailed computational structural mechanics, and a simple performance module.
Samareh, Jamshid A.↗
Time optimal feedback control of discrete systems with bounded inputs
Deadbeat control theory gives a feedback solution to the time optimal control of discrete time systems. Experience has shown the results to be impractical because they ignore bounds on the actuator strength. This paper develops two algorithms for generating time optimal control in feedback form for discrete systems with bounded controls. The results are also applicable for generating recovery regions and the set of reachable states. For multiple control problems a method of generating sublayers is developed which decreases off-line and on-line computational effort. Two algorithms are presented with somewhat different computational and storage requirements. The algorithms are practical within certain dimension constraints, and are natural for implementation with parallel processing.
Chen, Xin↗
Universal energy-speed-accuracy trade-offs in driven nonequilibrium systems
The connection between measure theoretic optimal transport and dissipative nonequilibrium dynamics provides a language for quantifying nonequilibrium control costs, leading to a collection of thermodynamic speed limits, which rely on the assumption that the target probability distribution is perfectly realized. This is almost never the case in experiments or numerical simulations, so here we address the situation in which the external controller is imperfect. We obtain a lower bound for the dissipated work in generic nonequilibrium control problems that (1) is asymptotically tight and (2) matches the thermodynamic speed limit in the case of optimal driving. Along with analytically solvable examples, we refine this imperfect driving notion to systems in which the controlled degrees of freedom are slow relative to the nonequilibrium relaxation rate, and identify independent energy contributions from fast and slow degrees of freedom. Furthermore, we develop a strategy for optimizing minimally dissipative protocols based on optimal transport flow matching, a generative machine learning technique. Furthermore, this latter approach ensures the scalability of both the theoretical and computational framework we put forth. Crucially, we demonstrate that we can compute the terms in our bound numerically using efficient algorithms from the computational optimal transport literature and that the protocols we learn saturate the bound.
59 BASIC BIOLOGICAL SCIENCES↗
ADoSPSiQS (Automated Detection of Symmetry-Protected Subspaces in Quantum Simulations ) [SWR-23-55]
Symmetry-protected subspaces in quantum systems are subspaces demarcated by a conserved quantity of that quantum system. We introduce two classical algorithms, which efficiently compute and elucidate features of these subspaces. The first algorithm explores the entire symmetry-protected subspace of an initial state in time complexity linear to the size of the subspace by closing local basis state-to-basis state transitions. The second algorithm determines, with bounded error, if a given measurement outcome of a dynamically-generated state is within the symmetry-protected subspace of the state in which the dynamical system is initialized. This software is paired with the paper of the same name at https://arxiv.org/pdf/2302.08586.pdf.
Rotello, Caleb↗
Recent advances in numerical analysis of structural eigenvalue problems
A wide range of eigenvalue problems encountered in practical structural engineering analyses is defined, in which the structures are assumed to be discretized by any suitable technique such as the finite-element method. A review of the usual numerical procedures for the solution of such eigenvalue problems is presented and is followed by an extensive account of recently developed eigenproblem solution procedures. Particular emphasis is placed on the new numerical algorithms and associated computer programs based on the Sturm sequence method. Eigenvalue algorithms developed for efficient solution of natural frequency and buckling problems of structures are presented, as well as some eigenvalue procedures formulated in connection with the solution of quadratic matrix equations associated with free vibration analysis of structures. A new algorithm is described for natural frequency analysis of damped structural systems.
Gupta, K. K.↗
Advances and trends in computational structures technology
The major goals of computational structures technology (CST) are outlined, and recent advances in CST are examined. These include computational material modeling, stochastic-based modeling, computational methods for articulated structural dynamics, strategies and numerical algorithms for new computing systems, multidisciplinary analysis and optimization. The role of CST in the future development of structures technology and the multidisciplinary design of future flight vehicles is addressed, and the future directions of CST research in the prediction of failures of structural components, the solution of large-scale structural problems, and quality assessment and control of numerical simulations are discussed.
Noor, A. K.↗