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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 19 records

Implementation of variable time step stochastic dynamics for electronically inelastic gas-surface collisions

A variable time step algorithm has been implemented for solving the stochastic equations of motion for gas-surface collisions. It has been tested for a simple model of electronically inelastic collisions with an insulator surface in which the phonon manifold acts as a heat bath and electronic states are localized. In addition to reproducing the accurate nuclear dynamics of the surface atoms, numerical calculations have shown the algorithm to yield accurate ensemble averages of physical observables such as electronic transition probabilities and total energy loss of the gas atom to the surface. This new algorithm offers a gain in efficieny of up to an order of magnitude compared to fixed time step integration.

Garrett, Bruce C.↗

Comparison of Fixed and Variable Time Step Trajectory Integration Methods for Cislunar Trajectories

Due to the nonlinear nature of the Earth-Moon-Sun three-body problem and non-spherical gravity, CEV cislunar targeting algorithms will require many propagations in their search for a desired trajectory. For on-board targeting especially, the algorithm must have a simple, fast, and accurate propagator to calculate a trajectory with reasonable computation time, and still be robust enough to remain stable in the various flight regimes that the CEV will experience. This paper compares Cowell s method with a fourth-order Runge- Kutta integrator (RK4), Encke s method with a fourth-order Runge-Kutta- Nystr m integrator (RKN4), and a method known as Multi-Conic. Additionally, the study includes the Bond-Gottlieb 14-element method (BG14) and extends the investigation of Encke-Nystrom methods to integrators of higher order and with variable step size.

Weeks, ichael W.↗

Improving Computational Efficiency of Prognostics Algorithms in Resource-Constrained Settings

In engineering and aerospace applications, it is vital to operational success to have insight into the expected performance and health of physical systems. The field of prognostics and health management provides quantitative methods for monitoring, predicting, and managing system health. Prognostics algorithms can be employed to assess the current state of a system, propagate the system throughout time, and predict potential anomalies or failures that may occur. While they can provide accurate prediction results, effective prognostics algorithms can be challenging to use in resource-constrained settings due to computational limitations and high computational latency, leading to obsolete predictions. Thus, computationally efficient and accurate algorithms are necessary for future remaining useful life predictions. In this work, we implement new algorithmic approaches for prediction, quantitatively compare them via a battery degradation use-case, and provide recommendations of potential improvements to a prognostics framework. One approach to prediction is through sampling, whereby the current state of a physical system is sampled many times and each sample is propagated forward until failure is reached, resulting in a distribution of failure values. To improve the efficiency of this process, we implemented five new algorithmic approaches to prediction, including three distinct sampling methods (standard Monte Carlo, Quasi-Monte Carlo, and Latin Hypercube Sampling), a variable time step algorithm, and a variable sample size algorithm. To compare the algorithms, we employ a variety of metrics designed specifically to analyze both computational efficiency and model accuracy. Our metrics include accuracy to compare the average predicted value to ground truth, mean absolute deviation to illustrate dispersion, specific percentile error to describe accuracy within a user-defined risk tolerance, and code run-time. To quantitatively analyze our results, we employ a use-case of degradation of a Lithium-ion battery. We use an electrochemistry-based model to describe the current health state of the battery, and implement our prediction algorithms to propagate forward in time until end-of-discharge (EOD) is reached. Notably, through this work it was found that none of our sampling approaches had a significant impact on computational efficiency or model accuracy in predicting EOD of the battery. We find that while the sampling methods are unique, the distributions they generate are similar, ultimately producing final predictions that are nearly identical. In exploring the effect of the time step within the prediction algorithm, we found that prediction accuracy was highly dependent on the time step used, and that implementing a variable time step within a particular prediction may provide an increase in computational efficiency while also maintaining prediction accuracy. Finally, implementing a variable sample size also affected prediction, and our results show that tuning both the magnitude and timing of the sample size adjustment can result in improved computation speed and maintained prediction accuracy. Taken together, our findings highlight the challenge of performing prognostics in resource-constrained settings, and illustrate the potential of developing new prediction algorithms to improve computational efficiency.

prognostics↗

Improving Computational Efficiency of Prognostics Algorithms in Resource-Constrained Settings

The field of prognostics and health management provides quantitative methods for monitoring and predicting the health of physical systems. Prognostics algorithms are useful in that they can be employed to assess the current state of a system, propagate the system state throughout time, and predict potential anomalies or failures that may occur. However, effective prognosis can be challenging to achieve in resource-constrained settings due to computational limitations and high computational latency, leading to obsolete predictions. Thus, computationally efficient and accurate algorithms are necessary for some prognostics applications. In this work, we implement three new algorithmic approaches to prediction (sampling methods, variable prediction time step, variable prediction sample size) with the goal of improving computational efficiency while minimizing decrease in model accuracy. To quantitatively analyze our results, we examine a use-case of degradation of a Lithium-ion battery. Notably, through this work it was found that none of the sampling approaches had a significant impact on computational efficiency or model accuracy in predicting EOD of the battery. However, our results show that prediction accuracy is highly dependent on the time step used, and that an appropriate time step can optimize both model accuracy and simulation efficiency. Finally, implementing a variable sample size also affected prediction, and our results show that tuning both the magnitude and timing of the sample size adjustment in an application-specific manner may prove useful in some applications. Taken together, our findings highlight the challenge of performing prognostics in resource-constrained settings, and illustrate the potential of developing new prediction algorithms to improve computational efficiency of prognosis.

Prognostics↗

A Semi-Analytical Approach for State-Space Electromagnetic Transient Simulation

Here, this paper proposes a semi-analytical approach for efficient and accurate electromagnetic transient (EMT) simulation of a power grid. The approach first derives a high-order semi-analytical solution (SAS) of the grid’s state-space EMT model using the differential transformation (DT), and then evaluates the solution over enlarged, variable time steps to significantly accelerate the simulations while maintaining its high accuracy on detailed fast EMT dynamics. The approach also addresses switches during large time steps by using a limit violation detection algorithm with a binary search-enhanced quadratic interpolation. Case studies are conducted on EMT models of the IEEE 39-bus system and large-scale systems to demonstrate the merits of the new simulation approach against traditional numerical methods.

electromagnetic transient↗

An Orthogonal Recursive Bisection (ORB) Based Time Advancement Algorithm for CFD-DEM Solvers

The time integration of the granular phase in coupled computational fluid dynamics (CFD) – discrete element method (DEM) simulations presents a unique computational challenge brought about by the large variations in particle collisional time scales. Particles in the dilute regions of the computational domain can be advanced with large time steps while dense regions require much smaller time increments. However, the time step size in most solvers is globally set as the limit for accuracy and stability imposed by the collisions and is typically orders of magnitude less than that required away from collisions. This work addresses this precise issue and provides a strategy to avoid the use of a global conservative small time step size for the entire set of particles.A novel time stepping algorithm for CFD-DEM solvers using a partitioning approach using orthogonal recursive bisection (ORB) that allows for variable time steps among particles is described and its computational performance is compared against baseline explicit methods, typically used in several CFD-DEM solvers. ORB has advantages of being relatively quick and easy to update incrementally and has the required heuristic behavior (i.e., it will split the region in half with a cluster on each side) when groups of particles are well separated (clustered). The algorithm presented in this work uses a local time stepping approach to resolve collisional time scales for subsets of particles that are present at the leaves of the ORB, thereby resulting in substantial reduction of computational cost. The parallel implementation of this method where a ``knapsack” algorithm is used in tandem with ORB for effective load-balancing is also presented, where a best possible partitioning is obtained based on number of particles and local time-stepping costs. The algorithm is tested against benchmark problems with varying particle distributions that include fluidized bed and riser flow scenarios. Preliminary results indicate that the approach is 2-3X faster than traditional explicit methods for problems that involve both dense and dilute regions, while maintaining the same level of accuracy.

adaptive timestepping↗

DYCAST: A finite element program for the crash analysis of structures

DYCAST is a nonlinear structural dynamic finite element computer code developed for crash simulation. The element library contains stringers, beams, membrane skin triangles, plate bending triangles and spring elements. Changing stiffnesses in the structure are accounted for by plasticity and very large deflections. Material nonlinearities are accommodated by one of three options: elastic-perfectly plastic, elastic-linear hardening plastic, or elastic-nonlinear hardening plastic of the Ramberg-Osgood type. Geometric nonlinearities are handled in an updated Lagrangian formulation by reforming the structure into its deformed shape after small time increments while accumulating deformations, strains, and forces. The nonlinearities due to combined loadings are maintained, and stiffness variation due to structural failures are computed. Numerical time integrators available are fixed-step central difference, modified Adams, Newmark-beta, and Wilson-theta. The last three have a variable time step capability, which is controlled internally by a solution convergence error measure. Other features include: multiple time-load history tables to subject the structure to time dependent loading; gravity loading; initial pitch, roll, yaw, and translation of the structural model with respect to the global system; a bandwidth optimizer as a pre-processor; and deformed plots and graphics as post-processors.

Pifko, A. B.↗

The efficient numerical calculation of condensational cloud drop growth

A modified Runge-Kutta integration technique is applied to condensational cloud droplet growth calculations, using the device of limiting dr, the growth of a droplet of radius r over the time step dt to some function of the absolute value of r(eq)-r, where r(eq) denotes the equilibrium value. The use of variable time steps to obtain an efficient choice of dt is also discussed. Results using these techniques are compared with those obtained with the standard fourth-order Runge-Kutta method, showing that the modified technique reduces the requisite computer time by a factor of about one hundred.

Robinson, N. F.↗

Numerical solution of the Euler equations by finite volume methods using Runge Kutta time stepping schemes

A new combination of a finite volume discretization in conjunction with carefully designed dissipative terms of third order, and a Runge Kutta time stepping scheme, is shown to yield an effective method for solving the Euler equations in arbitrary geometric domains. The method has been used to determine the steady transonic flow past an airfoil using an O mesh. Convergence to a steady state is accelerated by the use of a variable time step determined by the local Courant member, and the introduction of a forcing term proportional to the difference between the local total enthalpy and its free stream value.

Jameson, A.↗

Kinetic Model of HoxEFU reduction by NADH [SWR-26-087]

This repository is used to release code generated for manuscripts on the Photosynthetic Energy Transduction core program. This code simulates the reduction of HoxEFU by NADH. The electro transfer rate constants for the simulation are specified in the .csv files. The two .csv files correspond tot he two models described in Dawson et al. Cell. Rep. Phys. Sci. 2026. The code utilizes a chemical master equation, a set of differential equations, defining the time evolution of the oxidation and reduction kinetics of NAD+, NADH, a FMN flavin, and a set of iron sulfur clusters. The kinetics of HoxEFU reduction by NADH are evaluated by numerical integration of the chemical master equation using a variable-time-step Runge-Kutta algorithm.

Dahl, Peter [National Laboratory of the Rockies (N↗

Optimization of thermal protection systems for the space shuttle vehicle. Volume 1: Final report

A study performed to continue development of computational techniques for the Space Shuttle Thermal Protection System is reported. The resulting computer code was used to perform some additional optimization studies on several TPS configurations. The program was developed in Fortran 4 for the CDC 6400, and it was converted to Fortran 5 to be used for the Univac 1108. The computational methodology is developed in modular fashion to facilitate changes and updating of the techniques and to allow overlaying the computer code to fit into approximately 131,000 octal words of core storage. The program logic involves subroutines which handle input and output of information between computer and user, thermodynamic stress, dynamic, and weight/estimate analyses of a variety of panel configurations. These include metallic, ablative, RSI (with and without an underlying phase change material), and a thermodynamic analysis only of carbon-carbon systems applied to the leading edge and flat cover panels. Two different thermodynamic analyses are used. The first is a two-dimensional, explicit precedure with variable time steps which is used to describe the behavior of metallic and carbon-carbon leading edges. The second is a one-dimensional implicity technique used to predict temperature in the charring ablator and the noncharring RSI. The latter analysis is performed simply by suppressing the chemical reactions and pyrolysis of the TPS material.

Source record↗

Some aspects of algorithm performance and modeling in transient analysis of structures

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit algorithms with variable time steps, known as the GEAR package, is described. Four test problems, used for evaluating and comparing various algorithms, were selected and finite-element models of the configurations are described. These problems include a space shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system, and a model of the wing of the space shuttle orbiter. Results generally indicate a preference for implicit over explicit algorithms for solution of transient structural heat transfer problems when the governing equations are stiff (typical of many practical problems such as insulated metal structures).

Adelman, H. M.↗

Some aspects of algorithm performance and modeling in transient thermal analysis of structures

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit and implicit algorithms are discussed. A promising set of implicit algorithms with variable time steps, known as the GEAR package is described. Four test problems, used for evaluating and comparing various algorithms, were selected and finite element models of the configurations are described. These problems include a space shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system, and a model of the space shuttle orbiter wing. Results generally indicate a preference for implicit oer explicit algorithms for solution of transient structural heat transfer problems when the governing equations are stiff.

Adelman, H. M.↗

Studies of implicit and explicit solution techniques in transient thermal analysis of structures

Studies aimed at an increase in the efficiency of calculating transient temperature fields in complex aerospace vehicle structures are reported. The advantages and disadvantages of explicit and implicit algorithms are discussed and a promising set of implicit algorithms with variable time steps, known as GEARIB, is described. Test problems, used for evaluating and comparing various algorithms, are discussed and finite element models of the configurations are described. These problems include a coarse model of the Space Shuttle wing, an insulated frame tst article, a metallic panel for a thermal protection system, and detailed models of sections of the Space Shuttle wing. Results generally indicate a preference for implicit over explicit algorithms for transient structural heat transfer problems when the governing equations are stiff (typical of many practical problems such as insulated metal structures). The effects on algorithm performance of different models of an insulated cylinder are demonstrated. The stiffness of the problem is highly sensitive to modeling details and careful modeling can reduce the stiffness of the equations to the extent that explicit methods may become the best choice. Preliminary applications of a mixed implicit-explicit algorithm and operator splitting techniques for speeding up the solution of the algebraic equations are also described.

Adelman, H. M.↗

Some aspects of algorithm performance and modeling in transient thermal analysis of structures

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit and implicit algorithms are discussed. A promising set of implicit algorithms with variable time steps, known as the GEAR package is described. Four test problems, used for evaluating and comparing various algorithms, have been selected and finite-element models of the configurations are described. These problems include a Space Shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system, and a model of the Space Shuttle Orbiter wing. Results generally indicate a preference for implicit over explicit algorithms for solution of transient structural heat transfer problems when the governing equations are 'stiff' (typical of many practical problems such as insulated metal structures).

Adelman, H. M.↗

An enhanced version of an implicit code for the Euler equations

A two-dimensional implicit finite-difference code is applied to the inviscid Euler equations to compute transonic flow past airfoils in order to provide well-documented standard test cases for the general user community. The code is an improved version of Steger's 1976 implicit code. Enhancements include the use of up-wind differencing in supersonic regions before shocks and a variable time step to accelerate convergence. An airfoil grid generation routine based on algebraic techniques is employed. The grids are clustered near shocks to improve resolution. Computed results are compared with other numerical results from the literature.

Pulliam, T. H.↗