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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A high precision semi-analytic mass function

In this paper, extending past works of Del Popolo, we show how a high precision mass function (MF) can be obtained using the excursion set approach and an improved barrier taking implicitly into account a non-zero cosmological constant, the angular momentum acquired by tidal interaction of proto-structures and dynamical friction. In the case of the ΛCDM paradigm, we find that our MF is in agreement at the 3% level to Klypin's Bolshoi simulation, in the mass range M {sub vir} = 5 × 10{sup 9} h {sup −1} M {sub ⊙}–−5 × 10{sup 14} h {sup −1} M {sub ⊙} and redshift range 0 ∼< z ∼< 10. For z = 0 we also compared our MF to several fitting formulae, and found in particular agreement with Bhattacharya's within 3% in the mass range 10{sup 12}–10{sup 16} h {sup −1} M {sub ⊙}. Moreover, we discuss our MF validity for different cosmologies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Multiply Reduced Oligofluorenes: Their Nature and Pairing with THF-Solvated Sodium Ions

Conjugated oligofluorenes are chemically reduced up to five charges in tetrahydrofuran solvent and confirmed with clear spectroscopic evidence. Stimulated by these experimental results, we have conducted a comprehensive computational study of the electronic structure and the solvation structure of representative oligofluorene anions with a focus on the pairing between sodium ions and these multianions. In addition, using density functional theory (DFT) methods and a solvation model of both explicit solvent molecules and implicit polarizable continuum, we first elucidate the structure of tightly solvated free sodium ions, and then explore the pairing of sodium ions either in contact with reduced oligofluorenes or as solvent-separated ion pairs. Computed time-dependent-DFT absorption spectra are compared with experiments to assign the dominant ion pairing structure for each multianion. Computed ion pair binding energies further support our assignment. Lastly, the availability of different length and reducing level of oligofluorenes enables us to investigate the effects of total charge and charge density on the binding with sodium ions, and our results suggest both factors play important roles in ion pairing for small molecules. However, as the oligofluorene size grows, its charge density determines the binding strength with the sodium ion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Life extending control for rocket engines

The concept of life extending control is defined. A brief discussion of current fatigue life prediction methods is given and the need for an alternative life prediction model based on a continuous functional relationship is established. Two approaches to life extending control are considered: (1) the implicit approach which uses cyclic fatigue life prediction as a basis for control design; and (2) the continuous life prediction approach which requires a continuous damage law. Progress on an initial formulation of a continuous (in time) fatigue model is presented. Finally, nonlinear programming is used to develop initial results for life extension for a simplified rocket engine (model).

Lorenzo, C. F.↗
NASA NTRS2003

Efficient Development of High Fidelity Structured Volume Grids for Hypersonic Flow Simulations

A new technique for the control of grid line spacing and intersection angles of a structured volume grid, using elliptic partial differential equations (PDEs) is presented. Existing structured grid generation algorithms make use of source term hybridization to provide control of grid lines, imposing orthogonality implicitly at the boundary and explicitly on the interior of the domain. A bridging function between the two types of grid line control is typically used to blend the different orthogonality formulations. It is shown that utilizing such a bridging function with source term hybridization can result in the excessive use of computational resources and diminishes robustness. A new approach, Anisotropic Lagrange Based Trans-Finite Interpolation (ALBTFI), is offered as a replacement to source term hybridization. The ALBTFI technique captures the essence of the desired grid controls while improving the convergence rate of the elliptic PDEs when compared with source term hybridization. Grid generation on a blunt cone and a Shuttle Orbiter is used to demonstrate and assess the ALBTFI technique, which is shown to be as much as 50% faster, more robust, and produces higher quality grids than source term hybridization.

Alter, Stephen J.↗
DOE OSTI2019

Low-Resolution Models for the Interaction Dynamics of Coated Gold Nanoparticles with β2-microglobulin

A large number of low-resolution models have been proposed in the last decades to reduce the computational cost of molecular dynamics simulations for bio-nano systems, such as those involving the interactions of proteins with functionalized nanoparticles (NPs). For the proteins, “minimalist” models at the one-bead-per residue (Cα-based) level and with implicit solvent are well established. For the gold NPs, widely explored for biotechnological applications, mesoscale (MS) models treating the NP core with a single spheroidal object are commonly proposed. In this representation, the surface details (coating, roughness, etc.) are lost. These, however, and the specificity of the functionalization, have been shown to have fundamental roles for the interaction with proteins. We presented a mixed-resolution coarse-grained (CG) model for gold NPs in which the surface chemistry is reintroduced as superficial smaller beads. We compared molecular dynamics simulations of the amyloid β2-microglobulin represented at the minimalist level interacting with NPs represented with this model or at the MS level. Our finding highlights the importance of describing the surface of the NP at a finer level as the chemical-physical properties of the surface of the NP are crucial to correctly understand the protein-nanoparticle association.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A fully implicit, conservative, non-linear, electromagnetic hybrid particle-ion/fluid-electron algorithm

The quasi-neutral hybrid model with kinetic ions and fluid electrons is a promising approach for bridging the inherent multi-scale nature of many problems in space and laboratory plasmas. A novel, implicit, particle-in-cell based scheme for the hybrid model is derived for fully 3D electromagnetic problems with multiple ion species, which features global mass, momentum and energy conservation. The scheme includes sub-cycling and orbit-averaging for the ions, with cell-centered finite differences and implicit midpoint time advance. To reduce discrete particle noise, the scheme allows arbitrary-order shape functions for the particle-mesh interpolations and the application of conservative binomial smoothing. The algorithm is verified for a number of test problems to demonstrate the correctness of the implementation, the unique conservation properties, and the favorable stability properties of the new scheme. In particular, there is no indication of unstable growth of the finite-grid instability for a population of cold ions drifting through a uniform spatial mesh, in a set-up where several commonly used non-conservative schemes are highly unstable.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2000

Robust Inversion and Data Compression in Control Allocation

We present an off-line computational method for control allocation design. The control allocation function delta = F(z)tau = delta (sub 0) (z) mapping commanded body-frame torques to actuator commands is implicitly specified by trim condition delta (sub 0) (z) and by a robust pseudo-inverse problem double vertical line I - G(z) F(z) double vertical line less than epsilon (z) where G(z) is a system Jacobian evaluated at operating point z, z circumflex is an estimate of z, and epsilon (z) less than 1 is a specified error tolerance. The allocation function F(z) = sigma (sub i) psi (z) F (sub i) is computed using a heuristic technique for selecting wavelet basis functions psi and a constrained least-squares criterion for selecting the allocation matrices F (sub i). The method is applied to entry trajectory control allocation for a reusable launch vehicle (X-33).

Hodel, A. Scottedward↗
DOE OSTI2018

Structure and Dynamics of Three-Dimensional Magnetotail Reconnection

In this study, we have used a global magnetohydrodynamic simulation and embedded particle-in-cell (PIC) simulation to analyze magnetotail reconnection in and near the electron diffusion region (EDR). Results from the magnetohydrodynamic simulation were used to set the initial and boundary conditions for the large-scale implicit PIC simulation. We examined proxies for the EDR (the nongyrotropy of the electron distribution function, slippage, and the nonideal terms in Ohm's law and the work done [J·E'] in the electron frame). The reconnection was well organized by the B x = 0 surface. All of the proxies gave false positive values but together, along with the magnetic field B z component and calculations of magnetic field lines, we were able to locate the EDR. Three of the proxies (the slippage, the nonideal terms in Ohm's law, and agyrotropy) give consistent results in the EDR. The EDR is structured and time dependent. Multiple EDRs aligned roughly parallel to the X axis extended from X ~ -31R E to X ~ -38R E with structure in the Y direction. There are regions with both J·E' < 0 and J·' > 0. Wave-like behavior with a scale of ~0.5R E or 2–3d i develops in the reconnected plasma sheet. The structure is closely related to strong electron flows in the YZ plane and to the density gradient at the outer edge of the plasma sheet. Finally, these results are consistent with expectations for the lower hybrid drift instability coupled with a shear-type instability such as the Kelvin-Helmholtz instability. Similar results were found in a Harris sheet PIC simulation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Data-driven recovery of hidden physics in reduced order modeling of fluid flows

In this article, we introduce a modular hybrid analysis and modeling (HAM) approach to account for hidden physics in reduced order modeling (ROM) of parameterized systems relevant to fluid dynamics. The hybrid ROM framework is based on using first principles to model the known physics in conjunction with utilizing the data-driven machine learning tools to model the remaining residual that is hidden in data. This framework employs proper orthogonal decomposition as a compression tool to construct orthonormal bases and Galerkin projection (GP) as a model to build the dynamical core of the system. Our proposed methodology hence compensates structural or epistemic uncertainties in models and utilizes the observed data snapshots to compute true modal coefficients spanned by these bases. The GP model is then corrected at every time step with a data-driven rectification using a long short-term memory (LSTM) neural network architecture to incorporate hidden physics. A Grassmannian manifold approach is also adopted for interpolating basis functions to unseen parametric conditions. The control parameter governing the system's behavior is thus implicitly considered through true modal coefficients as input features to the LSTM network. The effectiveness of the HAM approach is then discussed through illustrative examples that are generated synthetically to take hidden physics into account. Furthermore, our approach thus provides insights addressing a fundamental limitation of the physics-based models when the governing equations are incomplete to represent underlying physical processes.

42 ENGINEERING↗
NASA NTRS1987

Finite element techniques for the Navier-Stokes equations in the primitive variable formulation and the vorticity stream-function formulation

Finite element procedures for the Navier-Stokes equations in the primitive variable formulation and the vorticity stream-function formulation have been implemented. For both formulations, streamline-upwind/Petrov-Galerkin techniques are used for the discretization of the transport equations. The main problem associated with the vorticity stream-function formulation is the lack of boundary conditions for vorticity at solid surfaces. Here an implicit treatment of the vorticity at no-slip boundaries is incorporated in a predictor-multicorrector time integration scheme. For the primitive variable formulation, mixed finite-element approximations are used. A nine-node element and a four-node + bubble element have been implemented. The latter is shown to exhibit a checkerboard pressure mode and a numerical treatment for this spurious pressure mode is proposed. The two methods are compared from the points of view of simulating internal and external flows and the possibilities of extensions to three dimensions.

Glaisner, F.↗
NASA NTRS1993

Theoretical constraints in the design of multivariable control systems

The theoretical constraints inherent in the design of multivariable control systems were defined and investigated. These constraints are manifested by the system transmission zeros that limit or bound the areas in which closed loop poles and individual transfer function zeros may be placed. These constraints were investigated primarily in the context of system decoupling or non-interaction. It was proven that decoupling requires the placement of closed loop poles at the system transmission zeros. Therefore, the system transmission zeros must be minimum phase to guarantee a stable decoupled system. Once decoupling has been accomplished, the remaining part of the system exhibits transmission zeros at infinity, so nearly complete design freedom is possible in terms of placing both poles and zeros of individual closed loop transfer functions. A general, dynamic inversion model following system architecture was developed that encompasses both the implicit and explicit configuration. Robustness properties are developed along with other attributes of this type of system. Finally, a direct design is developed for the longitudinal-vertical degrees of freedom of aircraft motion to show how a direct lift flap can be used to improve the pitch-heave maneuvering coordination for enhanced flying qualities.

Rynaski, E. G.↗
NASA NTRS2006

Solver and Turbulence Model Upgrades to OVERFLOW 2 for Unsteady and High-Speed Applications

An implicit unfactored SSOR algorithm has been added to the overset Navier-Stokes CFD code OVERFLOW 2 for unsteady and moving body applications. The HLLEM and HLLC third-order spatial upwind convective flux models have been added for high-speed flow applications. A generalized upwind transport equation has been added for solution of the two-equation turbulence models and the species equations. The generalized transport equation is solved using an unfactored SSOR implicit algorithm. Three hybrid RANS/DES turbulence models have been added for unsteady flow applications. Wall function boundary conditions that include compressibility and heat transfer effects have been also been added to OVERFLOW 2.

Nichols, Robert H.↗
NASA NTRS2016

Mapping Impact of Urbanization in the Continental U.S. from 2001-2020

Data fusion, from Landsat and MODIS, was used to characterize US buildup and to derive a plausible 2020 impervious surface area (ISA) projection based on observed rates of ISA change as a function of population from 2006 to 2011. The analysis shows that urbanization in the U.S. implicitly includes a cultural character whereby depending on the region, cities are either built horizontally with large ISA per capita or vertically with a minimal spatial footprint. This cultural character can also be forced by land availability, topography and inland water. In other regions, cities seem to have adapted to their population growth and adjusted their ISA use per capita.

ISA↗
DOE OSTI2019

Stratification of drying particle suspensions: Comparison of implicit and explicit solvent simulations

We report that large scale molecular dynamics simulations are used to study drying suspensions of a binary mixture of large and small particles in explicit and implicit solvents. The solvent is first modeled explicitly and then mapped to a uniform viscous medium by matching the diffusion coefficients and the pair correlation functions of the particles. “Small-on-top” stratification of the particles, with an enrichment of the smaller ones at the receding liquid-vapor interface during drying, is observed in both models under the same drying conditions. With the implicit solvent model, we are able to model much thicker films and study the effect of the initial film thickness on the final distribution of particles in the dry film. Laslty, our results show that the degree of stratification is controlled by the Péclet number defined using the initial film thickness as the characteristic length scale. When the Péclet numbers of large and small particles are much larger than 1, the degree of “small-on-top” stratification is first enhanced and then weakens as the Péclet numbers are increased.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

SIMULATION OF ENERGETIC PARTICLE TRANSPORT AND ACCELERATION AT SHOCK WAVES IN A FOCUSED TRANSPORT MODEL: IMPLICATIONS FOR MIXED SOLAR PARTICLE EVENTS

We use numerical solutions of the focused transport equation obtained by an implicit stochastic differential equation scheme to study the evolution of the pitch-angle dependent distribution function of protons in the vicinity of shock waves. For a planar stationary parallel shock, the effects of anisotropic distribution functions, pitch-angle dependent spatial diffusion, and first-order Fermi acceleration at the shock are examined, including the timescales on which the energy spectrum approaches the predictions of diffusive shock acceleration theory. We then consider the case that a flare-accelerated population of ions is released close to the Sun simultaneously with a traveling interplanetary shock for which we assume a simplified geometry. We investigate the consequences of adiabatic focusing in the diverging magnetic field on the particle transport at the shock, and of the competing effects of acceleration at the shock and adiabatic energy losses in the expanding solar wind. We analyze the resulting intensities, anisotropies, and energy spectra as a function of time and find that our simulations can naturally reproduce the morphologies of so-called mixed particle events in which sometimes the prompt and sometimes the shock component is more prominent, by assuming parameter values which are typically observed for scattering mean free paths of ions in the inner heliosphere and energy spectra of the flare particles which are injected simultaneously with the release of the shock.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

System design of the Pioneer Venus spacecraft. Volume 9: Attitude control/mechanisms subsystems studies

The Pioneer Venus mission study was conducted for a probe spacecraft and an orbiter spacecraft to be launched by either a Thor/Delta or an Atlas/Centaur launch vehicle. Both spacecraft are spin stabilized. The spin speed is controlled by ground commands to as low as 5 rpm for science instrument scanning on the orbiter and as high as 71 rpm for small probes released from the probe bus. A major objective in the design of the attitude control and mechanism subsystem (ACMS) was to provide, in the interest of costs, maximum commonality of the elements between the probe bus and orbiter spacecraft configurations. This design study was made considering the use of either launch vehicle. The basic functional requirements of the ACMS are derived from spin axis pointing and spin speed control requirements implicit in the acquisition, cruise, encounter and orbital phases of the Pioneer Venus missions.

Neil, A. L.↗
NASA NTRS1978

A comparison of the Method of Lines to finite difference techniques in solving time-dependent partial differential equations

Steady state solutions to two time dependent partial differential systems have been obtained by the Method of Lines (MOL) and compared to those obtained by efficient standard finite difference methods: (1) Burger's equation over a finite space domain by a forward time central space explicit method, and (2) the stream function - vorticity form of viscous incompressible fluid flow in a square cavity by an alternating direction implicit (ADI) method. The standard techniques were far more computationally efficient when applicable. In the second example, converged solutions at very high Reynolds numbers were obtained by MOL, whereas solution by ADI was either unattainable or impractical. With regard to 'set up' time, solution by MOL is an attractive alternative to techniques with complicated algorithms, as much of the programming difficulty is eliminated.

Kurtz, L. A.↗