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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 109 records · Page 6

Solving Seismic Wave Equations on Variable Velocity Models With Fourier Neural Operator

Here, in the study of subsurface seismic imaging, solving the acoustic wave equation is a pivotal component in existing models. The advancement of deep learning (DL) enables solving partial differential equations (PDEs), including wave equations, by applying neural networks to identify the mapping between the inputs and the solution. This approach can be faster than traditional numerical methods when numerous instances are to be solved. Previous works that concentrate on solving the wave equation by neural networks consider either a single velocity model or multiple simple velocity models, which is restricted in practice. Instead, inspired by the idea of operator learning, this work leverages the Fourier neural operator (FNO) to effectively learn the frequency domain seismic wavefields under the context of variable velocity models. We also propose a new framework paralleled FNO (PFNO) for efficiently training the FNO-based solver given multiple source locations and frequencies. Numerical experiments demonstrate the high accuracy of both FNO and PFNO with complicated velocity models in the OpenFWI datasets. Furthermore, the cross-dataset generalization test verifies that PFNO adapts to out-of-distribution velocity models. Finally, PFNO admits higher computational efficiency on large-scale testing datasets than the traditional finite-difference method. The aforementioned advantages endow the FNO-based solver with the potential to build powerful models for research on seismic waves.

58 GEOSCIENCES↗

Solving Newton’s equations of motion with large timesteps using recurrent neural networks based operators

Classical molecular dynamics simulations are based on solving Newton’s equations of motion. Using a small timestep, numerical integrators such as Verlet generate trajectories of particles as solutions to Newton’s equations. We introduce operators derived using recurrent neural networks that accurately solve Newton’s equations utilizing sequences of past trajectory data, and produce energy-conserving dynamics of particles using timesteps up to 4000 times larger compared to the Verlet timestep. We demonstrate significant speedup in many example problems including 3D systems of up to 16 particles.

Newton’s equations↗

Variation in efficiency of parallel algorithms

The present study has the objective to investigate some iterative parallel-processor linear equation solving algorithms with respect to efficiency for analyses of typical linear engineering systems. Attention is given to a set of n linear equations, Ku = p, where K = an n x n positive definite, sparsely populated, symmetric matrix, u = an n x 1 vector of unknown responses, and p = an n x 1 vector of prescribed constants. This study is concerned with a hybrid method in which iteration is used to solve the problem, while a direct method is used on the local processor level. Variations in the efficiency of parallel algorithms are explored. Measures of the efficiency are based on computer experiments regarding the algorithms. For all the algorithms, the wall clock time is found to decrease as the number of processors increases.

Hayashi, A.↗

A comparison of finite difference methods for solving Laplace's equation on curvilinear coordinate systems

Various finite difference techniques used to solve Laplace's equation are compared. Curvilinear coordinate systems are used on two dimensional regions with irregular boundaries, specifically, regions around circles and airfoils. Truncation errors are analyzed for three different finite difference methods. The false boundary method and two point and three point extrapolation schemes, used when having the Neumann boundary condition are considered and the effects of spacing and nonorthogonality in the coordinate systems are studied.

Mccoy, M. J.↗

Power series solutions of ordinary differential equations in MACSYMA

A program is described which extends the differential equation solving capability of MACSYMA to power series solutions and is available via the SHARE library. The program is directed toward those classes of equations with variable coefficients (in particular, those with singularities) and uses the method of Frobenius. Probably the most important distinction between this package and others currently available or being developed is that, wherever possible, this program will attempt to provide a complete solution to the equation rather than an approximation, i.e., a finite number of terms. This solution will take the form of a sum of infinite series.

Lafferty, E. L.↗

Multiphysics Time-Integration for Turbulent Combustion at the Exascale

Turbulent reacting flow systems are often modeled with coupled time-dependent partial differential equations (PDEs). Solving such equations can easily tax the world's largest supercomputers. One pragmatic strategy for attacking such problems is to split the PDEs into components that can more easily be solved in isolation. This generic operator-splitting strategy leads to a set of ordinary differential equations (ODEs) that need to be solved as part of an "outer-loop" time-stepping approach. In many combustion applications, the ODEs to be solved can be very stiff, exhibiting timescales that span many orders of magnitude. The SUNDIALS library provides a plethora of robust time integration algorithms for solving these ODEs on exascale-capable computing hardware, yet for many complex applications (such multicomponent fuels or emissions predictions), the chemical models remain too complex to solve using reasonable resources. The Quasi-Steady State Approximation (QSSA) can be an effective tool for reducing the size and stiffness of the simulations. In this talk, I will discuss the use of the SUDIALS library of ODE solvers together with automatic code generation tools to solve complex turbulent reacting flow problems using QSSA models.

chemistry↗

The “Fresnel Equations” for Diffuse radiation on Inclined photovoltaic Surfaces (FEDIS)

Here the well-known Fresnel equations solve for the reflection and transmission of light for precise incident angles. The transmission of diffuse radiation incident on a planar or domed surface is often needed for real-world applications. Due to the complexity of the Fresnel equations, the analytical solution of the integration has hitherto been unobtainable over the last centuries. Therefore, this problem was numerically solved by integrating the angular transmittances in space often leading to substantial computing burden and bias in the results. To efficiently estimate the solar energy resource for a glass-covered photovoltaic (PV) module, we derive an analytical solution of diffuse transmission based on the rigorous integration of an alternate form of the Fresnel equations. The approach leads to a simple yet accurate relative transmittance model that reconciles the solar energy sensed by pyranometers and PV panels. With limited and clearly stated approximations, the complex mathematical derivation resulted in an elegant solution. An experiment using 1-year of data at the National Renewable Energy Laboratory's (NREL's) Solar Radiation Research Laboratory (SRRL) shows that the new model dramatically decreases the disparity between the solar radiation measurements by a Kipp and Zonen CM Pyranometer 22 (CMP22) and an IMT reference cell on a 1-axis tracking system. The solution in this paper can be widely used in scientific and engineering research, development, and applications wherever the Fresnel equations are used.

14 SOLAR ENERGY↗

FEDIS (The “Fresnel Equations” for Diffuse radiation on Inclined photovoltaic Surfaces) [SWR-22-64]

The well-known Fresnel equations solve for the reflection and transmission of light for precise incident angles. The transmission of diffuse radiation incident on a planar or domed surface is often needed for real-world applications. Due to the complexity of the Fresnel equations, the analytical solution of the integration has hitherto been unobtainable over the last centuries. Therefore, this problem was numerically solved by integrating the angular transmittances in space often leading to substantial computing burden and bias in the results. To efficiently estimate the solar energy resource for a glass-covered photovoltaic (PV) module, we derive an analytical solution of diffuse transmission based on the rigorous integration of an alternate form of the Fresnel equations. The approach leads to a simple yet accurate relative transmittance model that reconciles the solar energy sensed by pyranometers and PV panels. With limited and clearly stated approximations, the complex mathematical derivation resulted in an elegant solution.

Xie, Yu↗

Numerical modeling of turbulent flow

Three dimensional combustor calculations are currently stretching the computer hardware capabilities and the computing budgets of gas turbine manufacturers. One of the main reasons for this relates to the large number of complex physical processes occurring in the combustor. Airflow, fuel spray, reaction kinetics, flame radiation, and not the least of which, turbulence must be modeled and the related differential equations solved. Discussions in this conference will address methods to improve the accuracy of combustor flow field calculations and methods to speed the convergence of the modeled equations. This report will focus on aspects of merging these two new technologies. The improved accuracy discretization schemes have a negative impact on the speed of convergence of the modeled equations that the improved solution algorithms may not overcome. A description of the causes of this problem and potential solutions will be examined.

Claus, R. W.↗

Large eddy simulation of shock turbulence interaction

A nonconservative formulation of the energy equation (solving for internal energy) was used to perform large eddy simulations of compressible turbulence in Moin et al. due to its simplicity in implementing SGS models compared to the conservative formulation (solving for total energy). In problems with shocks in the domain, however, the total energy formulation is preferred due to its conservative nature. A conservative set of equations for the LES were derived from the nonconservative equations derived by Moin et al. Performance of the conservative formulation was compared with the experiment on decaying grid-generated turbulence as well as with the filtered DNS field. Various shock-capturing schemes were tested, and an ENO shock-capturing scheme of Shu and Osher was chosen for the simulation of shock/turbulence interaction. The scheme was tested and validated against the data base generated by DNS of weak shock waves. The results obtained with the essentially nonoscillatory (ENO) scheme were within 5 percent from the DNS results, and used less than 25 percent of the CPU time used in the DNS.

Lee, Sangsan↗

Numerical integration of kinetic equations.

Relaxation to Maxwellian of Balescu-Lenard equation solved numerically as initial value problem for isotropic distributions of electrons in background of positive charge

MAXWELL DISTRIBUTION↗

On the validity of the modified equation approach to the stability analysis of finite-difference methods

The validity of the modified equation stability analysis introduced by Warming and Hyett was investigated. It is shown that the procedure used in the derivation of the modified equation is flawed and generally leads to invalid results. Moreover, the interpretation of the modified equation as the exact partial differential equation solved by a finite-difference method generally cannot be justified even if spatial periodicity is assumed. For a two-level scheme, due to a series of mathematical quirks, the connection between the modified equation approach and the von Neuman method established by Warming and Hyett turns out to be correct despite its questionable original derivation. However, this connection is only partially valid for a scheme involving more than two time levels. In the von Neumann analysis, the complex error multiplication factor associated with a wave number generally has (L-1) roots for an L-level scheme. It is shown that the modified equation provides information about only one of these roots.

Chang, Sin-Chung↗