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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1968

Small perturbation method in kinetic theory.

Oseen equations derived for compressible flow by applying small perturbation method and Chapman- Enskog procedure to Bhatnagar-Gross-Krook model of Boltzmann equation

Chi, L. K.↗
DOE OSTI2020

Efficacy of the Cell Perturbation Method in Large-Eddy Simulations of Boundary Layer Flow over Complex Terrain

A challenge to simulating turbulent flow in multiscale atmospheric applications is the efficient generation of resolved turbulence motions over an area of interest. One approach is to apply small perturbations to flow variables near the inflow planes of turbulence-resolving simulation domains nested within larger mesoscale domains. While this approach has been examined in numerous idealized and simple terrain cases, its efficacy in complex terrain environments has not yet been fully explored. Here, we examine the benefits of the stochastic cell perturbation method (CPM) over real complex terrain using data from the 2017 Perdigão field campaign, conducted in an approximately 2-km wide valley situated between two nearly parallel ridges. Following a typical configuration for multiscale simulation using nested domains within the Weather Research and Forecasting (WRF) model to downscale from the mesoscale to a large-eddy simulation (LES), we apply the CPM on a domain with horizontal grid spacing of 150 m. At this resolution, spurious coherent structures are often observed under unstable atmospheric conditions with moderate mean wind speeds. Results from such an intermediate resolution grid are often nested down for finer, more detailed LES, where these spurious structures adversely affect the development of turbulence on the subsequent finer grid nest. We therefore examine the impacts of the CPM on the representation of turbulence within the nested LES domain under moderate mean flow conditions in three different stability regimes: weakly convective, strongly convective, and weakly stable. In addition, two different resolutions of the underlying terrain are used to explore the role of the complex topography itself in generating turbulent structures. We demonstrate that the CPM improves the representation of turbulence within the LES domain, relative to the use of high-resolution complex terrain alone. During the convective conditions, the CPM improves the rate at which smaller-scales of turbulence form, while also accelerating the attenuation of the spurious numerically generated roll structures near the inflow boundary. During stable conditions, the coarse mesh spacing of the intermediate LES domain used herein was insufficient to maintain resolved turbulence using CPM as the flow develops downstream, highlighting the need for yet higher resolution under even weakly stable conditions, and the importance of accurate representation of flow on intermediate LES grids.

17 WIND ENERGY↗
NASA NTRS1986

Perturbation Method for Computational Fluid-Dynamical Equations

Perturbation technique yields accurate flow solutions using as few as one-fourth number of grid points required by finite-difference methods. Technique originally developed to solve Euler equations of two-dimensional, steady, inviscid transonic flow about airfoils, applicable to arbitrary equation sets and higher dimensions. New perturbations scheme used in design cycle where potential solutions generated routinely; Euler perturbation method used in second-cut analysis. Method also used to couple other equation sets.

Chow, L. J.↗
NASA NTRS1973

Solution of coupled and singular perturbation methods using duality theory.

Dual variational techniques developed by Chan and Leininger (1972) are summarized, and duality theory in the form of the Complementary Variational Principle is employed to provide a suboptimal measure for the singular and epsilon-coupled perturbation methods proposed by Kokotovic and Cruz. The suboptimal measure is independent of any a priori knowledge of the optimal solution, thereby providing an absolute estimate of the performance loss rather than an estimate relative to the unknown optimal solution.

Chan, W. L.↗
DOE OSTI2020

Convergence acceleration of Monte Carlo many-body perturbation methods by direct sampling

In the Monte Carlo many-body perturbation (MC-MP) method, the conventional correlation-correction formula, which is a long sum of products of low-dimensional integrals, is first recast into a short sum of high-dimensional integrals over electron-pair and imaginary-time coordinates. These high-dimensional integrals are then evaluated by the Monte Carlo method with random coordinates generated by the Metropolis–Hasting algorithm according to a suitable distribution. The latter algorithm, while advantageous in its ability to sample nearly any distribution, introduces autocorrelation in sampled coordinates, which in turn increases the statistical uncertainty of the integrals and thus the computational cost. It also involves wasteful rejected moves and an initial “burn-in” step as well as displays hysteresis. Here, an algorithm is proposed that directly produces a random sequence of electron-pair coordinates for the same distribution used in the MC-MP method, which is free from autocorrelation, rejected moves, a burn-in step, or hysteresis. Furthermore, this direct-sampling algorithm is shown to accelerate second- (MC-MP2) and third-order Monte Carlo many-body perturbation (MC-MP3) calculations by up to 222% and 38%, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Boundary perturbation method for free boundary problem in convectively cooled continuous casting

Novel mathematical techniques are here used to treat general boundary conditions in convectively cooled continuous ingot casting problems, applying a constant convective heat transfer coefficient at the ingot sides (so that the temperature distribution along the sides is unknown). The problem is first inverted to treat the physical coordinates as dependent variables of temperature and heat flow, mapping the ingot into a region that is nearly rectangular. A boundary perturbation method is then used to obtain an analytical solution in this near-rectangular region. Solidification interface shapes depend on two dimensionless parameters: one is a function of the casting velocity, while the other is dependent on the convective heat transfer coefficient at the cooled wall.

Siegel, R.↗
NASA NTRS1984

Implementation of uniform perturbation method for potential flow past axisymmetric and two-dimensional bodies

The aerodynamic characteristics of potential flow past an axisymmetric slender body and a thin airfoil are calculated using a uniform perturbation analysis method. The method is based on the superposition of potentials of point singularities distributed inside the body. The strength distribution satisfies a linear integral equation by enforcing the flow tangency condition on the surface of the body. The complete uniform asymptotic expansion of its solution is obtained with respect to the slenderness ratio by modifying and adapting an existing technique. Results calculated by the perturbation analysis method are compared with the existing surface singularity panel method and some available analytical solutions for a number of cases under identical conditions. From these comparisons, it is found that the perturbation analysis method can provide quite accurate results for bodies with small slenderness ratio. The present method is much simpler and requires less memory and computation time than existing surface singularity panel methods of comparable accuracy.

Wong, T. C.↗
DOE OSTI2023

Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller–Plesset perturbation method

Here, using an OpenMP Application Programming Interface, the resolution-of-the-identity second-order Møller–Plesset perturbation (RI-MP2) method has been off-loaded onto graphical processing units (GPUs), both as a standalone method in the GAMESS electronic structure program and as an electron correlation energy component in the effective fragment molecular orbital (EFMO) framework. First, a new scheme has been proposed to maximize data digestion on GPUs that subsequently linearizes data transfer from central processing units (CPUs) to GPUs. Second, the GAMESS Fortran code has been interfaced with GPU numerical libraries (e.g., NVIDIA cuBLAS and cuSOLVER) for efficient matrix operations (e.g., matrix multiplication, matrix decomposition, and matrix inversion). The standalone GPU RI-MP2 code shows an increasing speedup of up to 7.5× using one NVIDIA V100 GPU with one IBM 42-core P9 CPU for calculations on fullerenes of increasing size from 40 to 260 carbon atoms using the 6-31G(d)/cc-pVDZ-RI basis sets. A single Summit node with six V100s can compute the RI-MP2 correlation energy of a cluster of 175 water molecules using the correlation consistent basis sets cc-pVDZ/cc-pVDZ-RI containing 4375 atomic orbitals and 14 700 auxiliary basis functions in ~0.85 h. In the EFMO framework, the GPU RI-MP2 component shows near linear scaling for a large number of V100s when computing the energy of an 1800-atom mesoporous silica nanoparticle in a bath of 4000 water molecules. The parallel efficiencies of the GPU RI-MP2 component with 2304 and 4608 V100s are 98.0% and 96.1%, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Electronic excitation spectra of molecular hydrogen in phase I from quantum Monte Carlo and many-body perturbation methods

Here, we study the electronic excitation spectra in solid molecular hydrogen (phase I) at ambient temperature and 5- to 90-GPa pressures using quantum Monte Carlo methods and many-body perturbation theory. In this range, the system changes from a wide-gap molecular insulator to a semiconductor, altering the nature of the excitations from localized to delocalized. Computed gaps and spectra agree with experiments, proving the ability to predict accurately band gaps of many-body systems in the presence of nuclear quantum and thermal effects.

08 HYDROGEN↗
DOE OSTI2020

Convergence acceleration of Monte Carlo many-body perturbation methods by using many control variates

Herein, the use of many control variates is proposed as a method to accelerate the second- and third-order Monte Carlo (MC) many-body perturbation (MC-MP2 and MC-MP3) calculations. A control variate is an exactly integrable function that is strongly correlated or anti-correlated with the target function to be integrated by the MC method. Evaluating both integrals as well as their covariances in the same MC run, one can effect a mutual cancellation of the statistical uncertainties and biases in the MC integrations, thereby accelerating its convergence considerably. Six and thirty-six control variates, whose integrals are known a priori, are generated for MC-MP2 and MC-MP3, respectively, by systematically replacing one or more two-electron-integral vertexes of certain configurations by zero-valued overlap-integral vertexes in their Goldstone diagrams. The variances and co- variances of these control variates are computed at a marginal cost, enhancing the overall efficiency of the MC-MP2 and MC-MP3 calculations by a factor of up to 14 and 20, respectively.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1971

Singular perturbation methods and the warm plasma model

The application of techniques of the singular perturbation theory to the analysis of warm plasma is discussed. Typically, the cold plasma model can be applied over wide ranges of parameters and only over narrow ranges forming so-called boundary layers is the warm plasma model used. Simplified equations can be used and the solutions matched on both sides of the layer's boundary. Simple examples to illustrate the solution are presented. The analysis confirms that some results are highly sensitive to the values of: (1) wire radius or gap size for an antenna, (2) temperature of the medium, and (3) incident angle of a plane wave.

Lee, S. W.↗
DOE OSTI2022

Investigations of plasma response associated with resonant magnetic perturbation fields using perturbation method in KSTAR H-mode plasmas

Abstract The plasma response associated with the resonant magnetic perturbation (RMP) field was investigated using the small edge perturbations induced by a modulated supersonic molecular beam injection (SMBI) in KSTAR. The modulated SMBI provides a time-varying perturbation of the plasma density source in the region just inside the last closed flux surface and a modulated flow damping rate. Radial propagation of the toroidal rotation perturbation induced by SMBI from the q = 3 surface to the q = 2 surface was observed. Theoretical analysis using the general perturbed equilibrium code of the RMP intensity profiles of the RMP field is consistent with the phase profile of the toroidal rotation perturbation.

Physics↗
NASA NTRS1974

Hamilton/Jacobi perturbation methods applied to the rotational motion of a rigid body in a gravitational field

The formalism for studying perturbations of a triaxial rigid body within the Hamilton-Jacobi framework is developed. The motion of a triaxial artificial earth satellite about its center of mass is studied. Variables are found which permit separation, and the Euler angles and associated conjugate momenta are obtained as functions of canonical constants and time.

Fitzpatrick, P. M.↗