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At least 1,081 records · Page 60

Imaging Three-Dimensional Molecular Structure and Dynamics with Multiparticle Covariance and Cumulant Coulomb Explosion Analysis

Coulomb explosion imaging (CEI) provides a direct means of imaging molecular geometry by correlating fragment ion momenta following the fragmentation of a molecular polycation. Here, we demonstrate the use of three-body covariance and four-body cumulant analysis to extract three-dimensional (3D) structural information from the X-ray-induced Coulomb explosion of tert-butyl iodide (C4H9I). Site-selective ionization at the iodine 4d edge with intense femtosecond soft X-ray pulses from an X-ray free-electron laser (XFEL) enables rapid charge buildup and molecular breakup. By correlating ionic fragments in the molecular frame, we isolate complete dissociation channels and reveal subtle structural changes, such as umbrella-type motion of the branched alkyl chain, during the ionization process. Comparison with point-charge simulations of the Coulomb explosion shows close agreement, validating the approach. Furthermore, these results establish covariance/cumulant mapping as a powerful strategy for imaging complex three-dimensional molecular structures and point the way toward time-resolved CEI using both XFEL and tabletop sources for capturing ultrafast structural dynamics.

Imaging↗

Evolution of resonant wave triads in three-dimensional boundary layers

An analysis is presented that examines the modulation of different instability modes satisfying the triad resonance condition in time and space in a three-dimensional boundary-layer flow. Detuning parameters are used for the wavenumbers and the frequencies. The nonparallelism of the mean flow is taken into account in the analysis. At the leading-edge region of an infinite swept wing, different resonant triads are investigated that are comprised of traveling crossflow, stationary crossflow, vertical vorticity, and Tollmien-Schlichting modes. The spatial evolution of the resonating triad components are studied.

El-Hady, Nabil M.↗

Development of Saturated Zone Three-Dimensional Initial Condition Plumes for the Composite Analysis and Cumulative Impacts Evaluation Modeling

The purpose of this environmental calculation file (ECF) is to document and present the methodology, input data, and results of extending two-dimensional (2-D) plume depictions documented in DOE/RL- 2017-66, Hanford Site Groundwater Monitoring for 2017, into three dimensions (3-D) for select contaminants of interest (COIs) in the 200-BP-5, 200-UP-1, 200-ZP-1, and 200-PO-1 Groundwater Operable Units at the Hanford Site. Plumes with sufficient available vertical profile data were interpolated in 3-D using the Leapfrog Geo®1 geologic modeling platform, which includes an interpolation engine for analyzing and visualizing 3-D data. Results of these interpolations are intended for use in developing inputs for transport modeling to support forecasts of Central Plateau contaminant plume fate and transport.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Analysis of spectral projectors in one-dimensional domains

A class of projection operators with values in a subspace of polynomials is analyzed. These projection operators are related to the Hilbert spaces involved in the numerical analysis of spectral methods. They are, in the first part of the paper, the standard Sobolev spaces and, in the second part, some weighted Sobolev spaces, the weight of which is related to the orthoronality relation satisfied by the Chebyshev polynomials. These results are used to study the approximation of a model fourth-order problem.

Maday, Y.↗

User's Manual for DuctE3D: A Program for 3D Euler Unsteady Aerodynamic and Aeroelastic Analysis of Ducted Fans

The program DuctE3D is used for steady or unsteady aerodynamic and aeroelastic analysis of ducted fans. This guide describes the input data required and the output files generated, in using DuctE3D. The analysis solves three dimensional unsteady, compressible Euler equations to obtain the aerodynamic forces. A normal mode structural analysis is used to obtain the aeroelastic equations, which are solved using either the time domain or the frequency domain solution method. Sample input and output files are included in this guide for steady aerodynamic analysis and aeroelastic analysis of an isolated fan row.

Srivastava, R.↗

A variational principle for compressible fluid mechanics: Discussion of the multi-dimensional theory

The variational principle for compressible fluid mechanics previously introduced is extended to two dimensional flow. The analysis is stable, exactly conservative, adaptable to coarse or fine grids, and very fast. Solutions for two dimensional problems are included. The excellent behavior and results lend further credence to the variational concept and its applicability to the numerical analysis of complex flow fields.

Prozan, R. J.↗

Finite element analysis of the Space Shuttle Main Engine (SSME) high pressure fuel turbopump turbine blade (HPFTP)

Cracking of the turbine blades of the SSME HPFTP is studied using two- and three-dimensional finite element analysis. The development and composition of the two- and three-dimensional models are described. Analyses are conducted under the speed, pressure, and thermal load conditions that occur during the full power level of the engine. The effects of friction on the two-dimensional model are examined. The strain and life cycle data reveal that the LCF cracking in the first stage is not probable unless the effects of fit-up tolerance between the blade and rotor are present, and for the second stage it is predicted that hydrogen assisted LCF cracking will occur under the present thermal environment. Design modifications to alleviate this cracking are discussed.

Lee, H. M.↗

Investigation of advanced counterrotation blade configuration concepts for high speed turboprop systems. Task 2: Unsteady ducted propfan analysis computer program users manual

The primary objective of this study was the development of a time-dependent three-dimensional Euler/Navier-Stokes aerodynamic analysis to predict unsteady compressible transonic flows about ducted and unducted propfan propulsion systems at angle of attack. The computer codes resulting from this study are referred to as Advanced Ducted Propfan Analysis Codes (ADPAC). This report is intended to serve as a computer program user's manual for the ADPAC developed under Task 2 of NASA Contract NAS3-25270, Unsteady Ducted Propfan Analysis. Aerodynamic calculations were based on a four-stage Runge-Kutta time-marching finite volume solution technique with added numerical dissipation. A time-accurate implicit residual smoothing operator was utilized for unsteady flow predictions. For unducted propfans, a single H-type grid was used to discretize each blade passage of the complete propeller. For ducted propfans, a coupled system of five grid blocks utilizing an embedded C-grid about the cowl leading edge was used to discretize each blade passage. Grid systems were generated by a combined algebraic/elliptic algorithm developed specifically for ducted propfans. Numerical calculations were compared with experimental data for both ducted and unducted propfan flows. The solution scheme demonstrated efficiency and accuracy comparable with other schemes of this class.

Hall, Edward J.↗

Advanced development of the boundary element method for steady-state heat conduction

Considerable progress has been made in recent years toward advancing the state-of-the-art in solid mechanics boundary element technology. In the present work, much of this new technology is applied in the development of a general-purpose boundary element method (BEM) for steady-state heat conduction. In particular, the BEM implementation involves the use of higher-order conforming elements, self-adaptive integration and multi-region capability. Two- and three-dimensional, as well as axisymmetric analysis, are incorporated within a unified framework. In addition, techniques are introduced for the calculation of boundary flux, and for the inclusion of thermal resistance across interfaces. As a final extension, an efficient formulation is developed for the analysis of solid three-dimensional bodies with embedded holes. For this last class of problems, the new BEM formulation is particularly attractive, since use of the alternatives (i.e. finite element or finite difference methods) is not practical. A number of detailed examples illustrate the suitability and robustness of the present approach for steady-state heat conduction.

Dargush, G. F.↗

An Investigation on the Accuracy of Delamination Analysis Predictions for Unidirectional Laminate Configurations

The state-of-the-art methodologies for predicting delamination growth in composite laminates make use of the concept of mixed-mode fracture mechanics. In mixed-mode fracture approaches the individual Mode I, Mode II and Mode III components of the strain energy release rate (SERR) need to be determined under general loading conditions. Through the use of mixed-mode fracture, the individual components are used in combination with the critical strain energy release rates (interlaminar fracture toughnesses) for each fracture mode in a mixed mode criterion in order to predict delamination extension. These interlaminar fracture toughnesses are traditionally obtained by testing of unidirectional laminate coupons. This work presents an investigation on the accuracy of Double Cantilever Beam (DCB), End Notch Flexure (ENF) and Mixed-Mode Bending (MMB) delamination analysis predictions by comparing measured total strain-energy release rates obtained experimentally to results for structural analysis from closed-form expressions, shell finite element analysis, and continuum two-dimensional (2D) and three-dimensional (3D) (solid) finite element analysis.

Patrick Enjuto↗

The effect of surface contamination on thermocapillary flow in a two-dimensional slot

In an analysis of the effect of insoluble surfactants on the steady capillary flow in a shallow slot, the problem is formulated as a two-dimensional channel heated differentially from the side, with a free surface on which an insoluble surface species is adsorbed. The vertical boundaries are considered to be isothermal and impenetrable and the lower horizontal boundary to be insulated and impenetrable. Lubrication theory and matched asymptotic expansions are used to reduce the problem to a single nonlinear integral-algebraic equation. For small elasticity E, the surface velocity is nearly constant, with the result that, for small Pe, the surface concentration is nearly uniform while, for large Pe, it develops a boundary layer near the stagnation point at the cold wall, resulting in high local surface concentrations. Condensed surfactant layers will form only with E much less than one and Pe much greater than one.

Homsy, G. M.↗

Three dimensional unsteady aerodynamics and aeroelastic response of advanced turboprops

A method for the prediction of steady and unsteady aerodynamic loads and aeroelastic response of advanced turboprops is presented. The aerodynamic analysis uses three dimensional unsteady linearized compressible flow theory to compute the blade pressure distribution. The aeroelastic analysis is based on a normal mode representation of the structure. The method is applicable to both conventional and advanced turbo-prop configurations, provided that blade stall and transonic shock waves are not important factors. Aerodynamic results are presented which validate the model in various limits by comparisons to alternative theories and experimental data. Finally, results of a stability analysis of an advanced turboprop are given, with comparisons to measurements made at NASA Lewis Research Center.

Williams, M. H.↗

Vibrations of turbine engine blades by shell analysis

Several aspects are discussed which are pertinent to accurate analyses of blade vibration when the blades are modeled as shells. Two dimensional methods of analysis are developed and the characteristics of such analyses are summarized.

Source record↗

A fluid flow analysis for convective thermal control of flight experiments

A method for thermally analyzing convectively cooled flight experiments is presented. A three-dimensional fluid flow analysis code is used to optimize air circulation patterns and to predict air velocities in thermally critical areas. The analysis results are compared with the performance characteristics of a typical isothermal free jet, and good agreement is found between velocity profiles and radial distributions for downstream flow mixing. Predicted air velocities from the fluid analysis are used to calculate forced convection coefficients for the flight experiment, and the coefficients are used in a finite difference thermal analysis code to describe the response of air temperature and heat loss for the Lidar Atmospheric Sensing Experiment during transient flight profiles. Recommendations are made for the future design of convectively cooled flight experiments.

Killough, Brian D.↗

Investigation of advanced counterrotation blade configuration concepts for high speed turboprop systems. Task 5: Unsteady counterrotation ducted propfan analysis. Computer program user's manual

The primary objective of this study was the development of a time-marching three-dimensional Euler/Navier-Stokes aerodynamic analysis to predict steady and unsteady compressible transonic flows about ducted and unducted propfan propulsion systems employing multiple blade rows. The computer codes resulting from this study are referred to as ADPAC-AOACR (Advanced Ducted Propfan Analysis Codes-Angle of Attack Coupled Row). This report is intended to serve as a computer program user's manual for the ADPAC-AOACR codes developed under Task 5 of NASA Contract NAS3-25270, Unsteady Counterrotating Ducted Propfan Analysis. The ADPAC-AOACR program is based on a flexible multiple blocked grid discretization scheme permitting coupled 2-D/3-D mesh block solutions with application to a wide variety of geometries. For convenience, several standard mesh block structures are described for turbomachinery applications. Aerodynamic calculations are based on a four-stage Runge-Kutta time-marching finite volume solution technique with added numerical dissipation. Steady flow predictions are accelerated by a multigrid procedure. Numerical calculations are compared with experimental data for several test cases to demonstrate the utility of this approach for predicting the aerodynamics of modern turbomachinery configurations employing multiple blade rows.

Hall, Edward J.↗

Corrections for Convective Heat Flux Gauges Subjected to a Surface Temperature Discontinuity

A two-dimensional Navier-Stokes computational fluid dynamics (CFD) analysis has been carried out in an effort to determine the convective heat transfer corrections for circular heat flux gauges subjected to a surface temperature discontinuity. Solutions were obtained at a Reynolds number Of 1 x 10(exp 6) and a Mach number of 4. The CFD results are compared with the existing correlations for the correction factors. In general, the CFD corrections exceed those provided by the correlations. The discrepancy increases with increasing upstream surface temperature, thus indicating the role of property variations, which are not accounted for in the correlations. A quasi-two-dimensional analysis is also performed to treat the cylindrical geometry of the heat flux gauges by area-averaging the computed two-dimensional results from CFD.

Kandula, M.↗