Ion current in a magnetic neutral region - Generation of an incipient magnetopause

NASA Technical Reports Server (NTRS)

Whipple, E. C.; Silevitch, M. B.

1982-01-01

The current contributed by ions trapped in the vicinity of a magnetic X line is calculated. The three dimensional configuration of the neutral region is found to be critical in determining the current in that the escape mechanism and trapping times depend on the three-dimensional aspects. A trapping criterion is defined. In the neutral region the ions can gain substantial kinetic energy, and the current will change the X line configuration in such a way that there will be a positive feedback effect, rapidly forming an extended magnetopauselike structure for even very small incident plasma densities.

Numerical Studies of Three-dimensional Breakdown in Trailing Vortex Wakes

NASA Technical Reports Server (NTRS)

Evans, P. F.; Hackett, J. E.

1976-01-01

Finite element, three dimensional relaxation methods are used to calculate the development of vortex wakes behind aircraft for a considerable downstream distance. The inclusion of a self-induction term in the solution, dependent upon local curvature and vortex core radius, permits calculation of finite lifetimes for systems for which infinite life would be predicted two dimensionally. The associated computer program is described together with single-pair, twin-pair, and multiple-pair studies carried out using it. It is found, in single-pair studies, that there is a lower limit to the wavelengths at which the Crow-type of instability can occur. Below this limit, self-induction effects cause the plane of the disturbance waves to rotate counter to the vortex direction. Self induction in two dimensionally generated twin spiral waves causes an increase in axial length which becomes more marked with decreasing initial wavelength. The time taken for vortex convergence toward the center plane is correspondingly increased. The limited parametric twin-pair study performed suggests that time-to-converge increases with increasing flap span. Limited studies of Boeing 747 configurations show correct qualitative response to removal of the outer flap and to gear deployment, as compared with wind tunnel and flight test experience.

TORCAPP: time-dependent cyclotron orbit calculation and plotting package

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malarkey, C.H.; McNeilly, G.S.; Merriman, L.D.

1982-11-01

This addendum describes the modifications and additions to TORCAPP which have been implemented since the original report was issued in November 1979 by L.B. Maddox and G.S. McNeilly. Major changes include input of electric field data for central region studies, provision for extractor elements to allow extraction studies, and three-dimensional tracking of central rays.

A GPU-based calculation using the three-dimensional FDTD method for electromagnetic field analysis.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2010-01-01

Numerical simulations with the numerical human model using the finite-difference time domain (FDTD) method have recently been performed frequently in a number of fields in biomedical engineering. However, the FDTD calculation runs too slowly. We focus, therefore, on general purpose programming on the graphics processing unit (GPGPU). The three-dimensional FDTD method was implemented on the GPU using Compute Unified Device Architecture (CUDA). In this study, we used the NVIDIA Tesla C1060 as a GPGPU board. The performance of the GPU is evaluated in comparison with the performance of a conventional CPU and a vector supercomputer. The results indicate that three-dimensional FDTD calculations using a GPU can significantly reduce run time in comparison with that using a conventional CPU, even a native GPU implementation of the three-dimensional FDTD method, while the GPU/CPU speed ratio varies with the calculation domain and thread block size.

Theoretical investigation of the He4Br2 conformers.

PubMed

Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado-Barrio, Gerardo

2012-07-05

Full dimensional quantum dynamics calculations of the three lowest isomers of the He(4)Br(2) van der Waals molecule in its ground electronic state are reported. The calculations are performed using the multiconfiguration time-dependent Hartree (MCTDH) method and a realistic potential form that includes the sum of three body ab initio coupled-cluster single double triple [CCSD(T)] He-Br(2) interactions plus the He-He and Br-Br interactions. This potential exhibits several multiple minima, with the three lowest ones lying very close in energy, just within 2 cm(-1). Such small differences are also found in the calculated binding energies of the three most stable conformers, indicating the floppiness of the system and, thus, the need of accurate potential forms and quantum full dynamics methods to treat this kind of complexes. The 12 dimensional results reported in this work present benchmark data and, thus, can serve to evaluate approximate methods aiming to describe higher order rare gas-dihalogen (N > 4) complexes. A comparison with previous studies using different potential forms and approaches to the energetics for the He(4)Br(2) cluster is also presented.

Electronic field emission models beyond the Fowler-Nordheim one

NASA Astrophysics Data System (ADS)

Lepetit, Bruno

2017-12-01

We propose several quantum mechanical models to describe electronic field emission from first principles. These models allow us to correlate quantitatively the electronic emission current with the electrode surface details at the atomic scale. They all rely on electronic potential energy surfaces obtained from three dimensional density functional theory calculations. They differ by the various quantum mechanical methods (exact or perturbative, time dependent or time independent), which are used to describe tunneling through the electronic potential energy barrier. Comparison of these models between them and with the standard Fowler-Nordheim one in the context of one dimensional tunneling allows us to assess the impact on the accuracy of the computed current of the approximations made in each model. Among these methods, the time dependent perturbative one provides a well-balanced trade-off between accuracy and computational cost.

Time-dependent difference theory for noise propagation in a two-dimensional duct. [of a turbofan engine

NASA Technical Reports Server (NTRS)

Baumeister, K. J.

1979-01-01

A time dependent numerical formulation was derived for sound propagation in a two dimensional straight soft-walled duct in the absence of mean flow. The time dependent governing acoustic-difference equations and boundary conditions were developed along with the maximum stable time increment. Example calculations were presented for sound attenuation in hard and soft wall ducts. The time dependent analysis were found to be superior to the conventional steady numerical analysis because of much shorter solution times and the elimination of matrix storage requirements.

Free-energy landscape for cage breaking of three hard disks.

PubMed

Hunter, Gary L; Weeks, Eric R

2012-03-01

We investigate cage breaking in dense hard-disk systems using a model of three Brownian disks confined within a circular corral. This system has a six-dimensional configuration space, but can be equivalently thought to explore a symmetric one-dimensional free-energy landscape containing two energy minima separated by an energy barrier. The exact free-energy landscape can be calculated as a function of system size by a direct enumeration of states. Results of simulations show the average time between cage breaking events follows an Arrhenius scaling when the energy barrier is large. We also discuss some of the consequences of using a one-dimensional representation to understand dynamics through a multidimensional space, such as diffusion acquiring spatial dependence and discontinuities in spatial derivatives of free energy.

Validation of NASCAP-2K Spacecraft-Environment Interactions Calculations

NASA Technical Reports Server (NTRS)

Davis, V. A.; Mandell, M. J.; Gardner, B. M.; Mikellides, I. G.; Neergaard, L. F.; Cooke, D. L.; Minor, J.

2004-01-01

The recently released Nascap-2k, version 2.0, three-dimensional computer code models interactions between spacecraft surfaces and low-earth-orbit, geosynchronous, auroral, and interplanetary plasma environments. It replaces the earlier three-dimensional spacecraft interactions codes NASCAP/GEO, NASCAP/LEO, POLAR, and DynaPAC. Nascap-2k has improved numeric techniques, a modern user interface, and a simple, interactive satellite surface definition module (Object ToolKit). We establish the accuracy of Nascap-2k both by comparing computed currents and potentials with analytic results and by comparing Nascap-2k results with published calculations using the earlier codes. Nascap-2k predicts Langmuir-Blodgett or Parker-Murphy current collection for a nearly spherical (100 surfaces) satellite in a short Debye length plasma depending on the absence or presence of a magnetic field. A low fidelity (in geometry and time) Nascap-2k geosynchronous charging calculation gives the same results as the corresponding low fidelity NASCAP/GEO calculation. A high fidelity calculation (using the Nascap-2k improved geometry and time stepping capabilities) gives higher potentials, which are more consistent with typical observations. Nascap-2k predicts the same current as a function of applied potential as was observed and calculated by NASCAP/LEO for the SPEAR I rocket with a bipolar sheath. A Nascap-2k DMSP charging calculation gives results similar to those obtained using POLAR and consistent with observation.

Analytical modeling of operating characteristics of premixing-prevaporizing fuel-air mixing passages. Volume 1: Analysis and results

NASA Technical Reports Server (NTRS)

Anderson, O. L.; Chiappetta, L. M.; Edwards, D. E.; Mcvey, J. B.

1982-01-01

A model for predicting the distribution of liquid fuel droplets and fuel vapor in premixing-prevaporizing fuel-air mixing passages of the direct injection type is reported. This model consists of three computer programs; a calculation of the two dimensional or axisymmetric air flow field neglecting the effects of fuel; a calculation of the three dimensional fuel droplet trajectories and evaporation rates in a known, moving air flow; a calculation of fuel vapor diffusing into a moving three dimensional air flow with source terms dependent on the droplet evaporation rates. The fuel droplets are treated as individual particle classes each satisfying Newton's law, a heat transfer, and a mass transfer equation. This fuel droplet model treats multicomponent fuels and incorporates the physics required for the treatment of elastic droplet collisions, droplet shattering, droplet coalescence and droplet wall interactions. The vapor diffusion calculation treats three dimensional, gas phase, turbulent diffusion processes. The analysis includes a model for the autoignition of the fuel air mixture based upon the rate of formation of an important intermediate chemical species during the preignition period.

Polymer photonic crystal slab waveguides

NASA Astrophysics Data System (ADS)

Liguda, C.; Böttger, G.; Kuligk, A.; Blum, R.; Eich, M.; Roth, H.; Kunert, J.; Morgenroth, W.; Elsner, H.; Meyer, H. G.

2001-04-01

We present details of the fabrication, calculations, and transmission measurements for finite two-dimensional (2D) polymer photonic crystal (PC) slab waveguides, which were fabricated from a benzocyclobutene polymer on a low refractive index substrate from Teflon. A square air hole lattice (500 nm lattice constant, 300 nm hole diameter) was realized by electron beam lithography and reactive ion etching. Polarization and wavelength dependent transmission results show TE-like and TM-like stop gaps at 1.3 μm excitation wavelengths and are in good agreement with the calculated data obtained by 2D and three-dimensional finite difference time domain methods. Transmission was suppressed by 15 dB in the center of the TE-like stop gap for a PC length of ten lattice constants.

Three-dimensional biofilm structure quantification.

PubMed

Beyenal, Haluk; Donovan, Conrad; Lewandowski, Zbigniew; Harkin, Gary

2004-12-01

Quantitative parameters describing biofilm physical structure have been extracted from three-dimensional confocal laser scanning microscopy images and used to compare biofilm structures, monitor biofilm development, and quantify environmental factors affecting biofilm structure. Researchers have previously used biovolume, volume to surface ratio, roughness coefficient, and mean and maximum thicknesses to compare biofilm structures. The selection of these parameters is dependent on the availability of software to perform calculations. We believe it is necessary to develop more comprehensive parameters to describe heterogeneous biofilm morphology in three dimensions. This research presents parameters describing three-dimensional biofilm heterogeneity, size, and morphology of biomass calculated from confocal laser scanning microscopy images. This study extends previous work which extracted quantitative parameters regarding morphological features from two-dimensional biofilm images to three-dimensional biofilm images. We describe two types of parameters: (1) textural parameters showing microscale heterogeneity of biofilms and (2) volumetric parameters describing size and morphology of biomass. The three-dimensional features presented are average (ADD) and maximum diffusion distances (MDD), fractal dimension, average run lengths (in X, Y and Z directions), aspect ratio, textural entropy, energy and homogeneity. We discuss the meaning of each parameter and present the calculations in detail. The developed algorithms, including automatic thresholding, are implemented in software as MATLAB programs which will be available at site prior to publication of the paper.

Multi-GPU accelerated three-dimensional FDTD method for electromagnetic simulation.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2011-01-01

Numerical simulation with a numerical human model using the finite-difference time domain (FDTD) method has recently been performed in a number of fields in biomedical engineering. To improve the method's calculation speed and realize large-scale computing with the numerical human model, we adapt three-dimensional FDTD code to a multi-GPU environment using Compute Unified Device Architecture (CUDA). In this study, we used NVIDIA Tesla C2070 as GPGPU boards. The performance of multi-GPU is evaluated in comparison with that of a single GPU and vector supercomputer. The calculation speed with four GPUs was approximately 3.5 times faster than with a single GPU, and was slightly (approx. 1.3 times) slower than with the supercomputer. Calculation speed of the three-dimensional FDTD method using GPUs can significantly improve with an expanding number of GPUs.

Strengths and Weaknesses of a Planar Whole-Body Method of 153Sm Dosimetry for Patients with Metastatic Osteosarcoma and Comparison with Three-Dimensional Dosimetry

PubMed Central

Plyku, Donika; Loeb, David M.; Prideaux, Andrew R.; Baechler, Sébastien; Wahl, Richard L.; Sgouros, George

2015-01-01

Abstract Purpose: Dosimetric accuracy depends directly upon the accuracy of the activity measurements in tumors and organs. The authors present the methods and results of a retrospective tumor dosimetry analysis in 14 patients with a total of 28 tumors treated with high activities of 153Sm-ethylenediaminetetramethylenephosphonate (153Sm-EDTMP) for therapy of metastatic osteosarcoma using planar images and compare the results with three-dimensional dosimetry. Materials and Methods: Analysis of phantom data provided a complete set of parameters for dosimetric calculations, including buildup factor, attenuation coefficient, and camera dead-time compensation. The latter was obtained using a previously developed methodology that accounts for the relative motion of the camera and patient during whole-body (WB) imaging. Tumor activity values calculated from the anterior and posterior views of WB planar images of patients treated with 153Sm-EDTMP for pediatric osteosarcoma were compared with the geometric mean value. The mean activities were integrated over time and tumor-absorbed doses were calculated using the software package OLINDA/EXM. Results: The authors found that it was necessary to employ the dead-time correction algorithm to prevent measured tumor activity half-lives from often exceeding the physical decay half-life of 153Sm. Measured half-lives so long are unquestionably in error. Tumor-absorbed doses varied between 0.0022 and 0.27 cGy/MBq with an average of 0.065 cGy/MBq; however, a comparison with absorbed dose values derived from a three-dimensional analysis for the same tumors showed no correlation; moreover, the ratio of three-dimensional absorbed dose value to planar absorbed dose value was 2.19. From the anterior and posterior activity comparisons, the order of clinical uncertainty for activity and dose calculations from WB planar images, with the present methodology, is hypothesized to be about 70%. Conclusion: The dosimetric results from clinical patient data indicate that absolute planar dosimetry is unreliable and dosimetry using three-dimensional imaging is preferable, particularly for tumors, except perhaps for the most sophisticated planar methods. The relative activity and patient kinetics derived from planar imaging show a greater level of reliability than the dosimetry. PMID:26560193

Parallel Computation and Visualization of Three-dimensional, Time-dependent, Thermal Convective Flows

NASA Technical Reports Server (NTRS)

Wang, P.; Li, P.

1998-01-01

A high-resolution numerical study on parallel systems is reported on three-dimensional, time-dependent, thermal convective flows. A parallel implentation on the finite volume method with a multigrid scheme is discussed, and a parallel visualization systemm is developed on distributed systems for visualizing the flow.

Comparison of RCS prediction techniques, computations and measurements

NASA Astrophysics Data System (ADS)

Brand, M. G. E.; Vanewijk, L. J.; Klinker, F.; Schippers, H.

1992-07-01

Three calculation methods to predict radar cross sections (RCS) of three dimensional objects are evaluated by computing the radar cross sections of a generic wing inlet configuration. The following methods are applied: a three dimensional high frequency method, a three dimensional boundary element method, and a two dimensional finite difference time domain method. The results of the computations are compared with the data of measurements.

Synthesis, Spectra, and Theoretical Investigations of 1,3,5-Triazines Compounds as Ultraviolet Rays Absorber Based on Time-Dependent Density Functional Calculations and three-Dimensional Quantitative Structure-Property Relationship.

PubMed

Wang, Xueding; Xu, Yilian; Yang, Lu; Lu, Xiang; Zou, Hao; Yang, Weiqing; Zhang, Yuanyuan; Li, Zicheng; Ma, Menglin

2018-03-01

A series of 1,3,5-triazines were synthesized and their UV absorption properties were tested. The computational chemistry methods were used to construct quantitative structure-property relationship (QSPR), which was used to computer aided design of new 1,3,5-triazines ultraviolet rays absorber compounds. The experimental UV absorption data are in good agreement with those predicted data using the Time-dependent density functional theory (TD-DFT) [B3LYP/6-311 + G(d,p)]. A suitable forecasting model (R > 0.8, P < 0.0001) was revealed. Predictive three-dimensional quantitative structure-property relationship (3D-QSPR) model was established using multifit molecular alignment rule of Sybyl program, which conclusion is consistent with the TD-DFT calculation. The exceptional photostability mechanism of such ultraviolet rays absorber compounds was studied and confirmed as principally banked upon their ability to undergo excited-state deactivation via an ultrafast excited-state proton transfer (ESIPT). The intramolecular hydrogen bond (IMHB) of 1,3,5-triazines compounds is the basis for the excited state proton transfer, which was explored by IR spectroscopy, UV spectra, structural and energetic aspects of different conformers and frontier molecular orbitals analysis.

Numerical investigation of turbulent channel flow

NASA Technical Reports Server (NTRS)

Moin, P.; Kim, J.

1981-01-01

Fully developed turbulent channel flow was simulated numerically at Reynolds number 13800, based on centerline velocity and channel halt width. The large-scale flow field was obtained by directly integrating the filtered, three dimensional, time dependent, Navier-Stokes equations. The small-scale field motions were simulated through an eddy viscosity model. The calculations were carried out on the ILLIAC IV computer with up to 516,096 grid points. The computed flow field was used to study the statistical properties of the flow as well as its time dependent features. The agreement of the computed mean velocity profile, turbulence statistics, and detailed flow structures with experimental data is good. The resolvable portion of the statistical correlations appearing in the Reynolds stress equations are calculated. Particular attention is given to the examination of the flow structure in the vicinity of the wall.

Titan impacts and escape

NASA Astrophysics Data System (ADS)

Korycansky, D. G.; Zahnle, Kevin J.

2011-01-01

We report on hydrodynamic calculations of impacts of large (multi-kilometer) objects on Saturn's moon Titan. We assess escape from Titan, and evaluate the hypothesis that escaping ejecta blackened the leading hemisphere of Iapetus and peppered the surface of Hyperion. We carried out two- and three-dimensional simulations of impactors ranging in size from 4 to 100 km diameter, impact velocities between 7 and 15 km s -1, and impact angles from 0° to 75° from the vertical. We used the ZEUSMP2 hydrocode for the calculations. Simulations were made using three different geometries: three-dimensional Cartesian, two-dimensional axisymmetric spherical polar, and two-dimensional plane polar. Three-dimensional Cartesian geometry calculations were carried out over a limited domain (e.g. 240 km on a side for an impactor of size di = 10 km), and the results compared to ones with the same parameters done by Artemieva and Lunine (2005); in general the comparison was good. Being computationally less demanding, two-dimensional calculations were possible for much larger domains, covering global regions of the satellite (from 800 km below Titan's surface to the exobase altitude 1700 km above the surface). Axisymmetric spherical polar calculations were carried out for vertical impacts. Two-dimensional plane-polar geometry calculations were made for both vertical and oblique impacts. In general, calculations among all three geometries gave consistent results. Our basic result is that the amount of escaping material is less than or approximately equal to the impactor mass even for the most favorable cases. Amounts of escaping material scaled most strongly as a function of velocity, with high-velocity impacts generating the largest amount, as expected. Dependence of the relative amount of escaping mass fesc = mesc/ Mi on impactor diameter di was weak. Oblique impacts (impact angle θi > 45°) were more effective than vertical or near-vertical impacts; ratios of mesc/ Mi ˜ 1-2 were found in the simulations.

Three-dimensional analysis of flow and segregation in vertical Bridgman crystal growth under axial and transversal magnetic fields

NASA Astrophysics Data System (ADS)

Lan, C. W.; Lee, I. F.; Yeh, B. C.

2003-07-01

Three-dimensional simulation, both pseudo-steady and time-dependent states, is carried out to illustrate the effects of magnetic fields on the flow and segregation in a vertical Bridgman crystal growth. With an axial magnetic field in a perfectly vertical growth, the calculated results are in good agreement with those obtained by a two-dimensional axisymmetric model. The asymptotic scaling of flow damping is also consistent with the boundary layer approximation regardless to the magnetic orientation. Radial and axial segregations are further discussed concluding that radial segregation could be severe if the flow damping is not adequate. Moreover, there is a regime of enhanced global dopant mixing due to the flow stretching by the axial field. Accordingly, the transversal field is more effective in pushing the growth to the diffusion-controlled limit and suppressing the asymmetric global flow due to ampule tilting.

Optimization of a Boiling Water Reactor Loading Pattern Using an Improved Genetic Algorithm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kobayashi, Yoko; Aiyoshi, Eitaro

2003-08-15

A search method based on genetic algorithms (GA) using deterministic operators has been developed to generate optimized boiling water reactor (BWR) loading patterns (LPs). The search method uses an Improved GA operator, that is, crossover, mutation, and selection. The handling of the encoding technique and constraint conditions is designed so that the GA reflects the peculiar characteristics of the BWR. In addition, some strategies such as elitism and self-reproduction are effectively used to improve the search speed. LP evaluations were performed with a three-dimensional diffusion code that coupled neutronic and thermal-hydraulic models. Strong axial heterogeneities and three-dimensional-dependent constraints have alwaysmore » necessitated the use of three-dimensional core simulators for BWRs, so that an optimization method is required for computational efficiency. The proposed algorithm is demonstrated by successfully generating LPs for an actual BWR plant applying the Haling technique. In test calculations, candidates that shuffled fresh and burned fuel assemblies within a reasonable computation time were obtained.« less

Black hole collapse in the 1 /c expansion

NASA Astrophysics Data System (ADS)

Anous, Tarek; Hartman, Thomas; Rovai, Antonin; Sonner, Julian

2016-07-01

We present a first-principles CFT calculation corresponding to the spherical collapse of a shell of matter in three dimensional quantum gravity. In field theory terms, we describe the equilibration process, from early times to thermalization, of a CFT following a sudden injection of energy at time t = 0. By formulating a continuum version of Zamolodchikov's monodromy method to calculate conformal blocks at large central charge c, we give a framework to compute a general class of probe observables in the collapse state, incorporating the full backreaction of matter fields on the dual geometry. This is illustrated by calculating a scalar field two-point function at time-like separation and the time-dependent entanglement entropy of an interval, both showing thermalization at late times. The results are in perfect agreement with previous gravity calculations in the AdS3-Vaidya geometry. Information loss appears in the CFT as an explicit violation of unitarity in the 1 /c expansion, restored by nonperturbative corrections.

Black hole collapse in the 1/c expansion

DOE PAGES

Anous, Tarek; Hartman, Thomas; Rovai, Antonin; ...

2016-07-25

We present a first-principles CFT calculation corresponding to the spherical collapse of a shell of matter in three dimensional quantum gravity. In field theory terms, we describe the equilibration process, from early times to thermalization, of a CFT following a sudden injection of energy at time t = 0. By formulating a continuum version of Zamolodchikov’s monodromy method to calculate conformal blocks at large central charge c, we give a framework to compute a general class of probe observables in the collapse state, incorporating the full backreaction of matter fields on the dual geometry. This is illustrated by calculating amore » scalar field two-point function at time-like separation and the time-dependent entanglement entropy of an interval, both showing thermalization at late times. Furthermore, the results are in perfect agreement with previous gravity calculations in the AdS 3-Vaidya geometry. Information loss appears in the CFT as an explicit violation of unitarity in the 1/c expansion, restored by nonperturbative corrections.« less

Three-dimensional representations of photo-induced electron transfer rates in pyrene-(CH2)n-N,N'-dimethylaniline systems obtained by three electron transfer theories.

PubMed

Rujkorakarn, Rong; Tanaka, Fumio

2009-01-01

The observed rates of photo-induced electron transfer (ET) from N,N'-dimethylaniline (DMA) to the excited pyrene (Py) in confined systems of pyrene-(CH(2))(n)-N,N'- dimethylaniline (PnD: n=1-3) were studied by molecular dynamic simulation (MD) and three kinds of electron transfer theories. ET parameters contained in Marcus theory (M theory), Bixon and Jortner theory (BJ theory) and Kakitani and Mataga theory (KM theory) were determined so as to fit the calculated fluorescence intensities with those obtained by the observed ET rates, according to a non-linear least squares method. Three-dimensional profiles of logarithm of calculated ET rates depending on two of three ET parameters, R, epsilon(0) and -DeltaG degrees were systematically examined with best-fit ET parameters of P1D. Bell shape dependencies of ET rate were predicted on R and on epsilon(0), and on -DeltaG degrees as well, by M theory and KM theory. The profiles of logarithm of ET rate calculated by BJ theory exhibited oscillatory dependencies not only on -DeltaG degrees , but also on R and on epsilon(0). Relationship between ET state and charge transfer complex was discussed with BJ theory.

Multi-GPU hybrid programming accelerated three-dimensional phase-field model in binary alloy

NASA Astrophysics Data System (ADS)

Zhu, Changsheng; Liu, Jieqiong; Zhu, Mingfang; Feng, Li

2018-03-01

In the process of dendritic growth simulation, the computational efficiency and the problem scales have extremely important influence on simulation efficiency of three-dimensional phase-field model. Thus, seeking for high performance calculation method to improve the computational efficiency and to expand the problem scales has a great significance to the research of microstructure of the material. A high performance calculation method based on MPI+CUDA hybrid programming model is introduced. Multi-GPU is used to implement quantitative numerical simulations of three-dimensional phase-field model in binary alloy under the condition of multi-physical processes coupling. The acceleration effect of different GPU nodes on different calculation scales is explored. On the foundation of multi-GPU calculation model that has been introduced, two optimization schemes, Non-blocking communication optimization and overlap of MPI and GPU computing optimization, are proposed. The results of two optimization schemes and basic multi-GPU model are compared. The calculation results show that the use of multi-GPU calculation model can improve the computational efficiency of three-dimensional phase-field obviously, which is 13 times to single GPU, and the problem scales have been expanded to 8193. The feasibility of two optimization schemes is shown, and the overlap of MPI and GPU computing optimization has better performance, which is 1.7 times to basic multi-GPU model, when 21 GPUs are used.

The X-Factor: an evaluation of common methods used to analyse major inter-segment kinematics during the golf swing.

PubMed

Brown, Susan J; Selbie, W Scott; Wallace, Eric S

2013-01-01

A common biomechanical feature of a golf swing, described in various ways in the literature, is the interaction between the thorax and pelvis, often termed the X-Factor. There is no consistent method used within golf biomechanics literature however to calculate these segment interactions. The purpose of this study was to examine X-factor data calculated using three reported methods in order to determine the similarity or otherwise of the data calculated using each method. A twelve-camera three-dimensional motion capture system was used to capture the driver swings of 19 participants and a subject specific three-dimensional biomechanical model was created with the position and orientation of each model estimated using a global optimisation algorithm. Comparison of the X-Factor methods showed significant differences for events during the swing (P < 0.05). Data for each kinematic measure were derived as a times series for all three methods and regression analysis of these data showed that whilst one method could be successfully mapped to another, the mappings between methods are subject dependent (P <0.05). Findings suggest that a consistent methodology considering the X-Factor from a joint angle approach is most insightful in describing a golf swing.

Putting atomic diffusion theory of magnetic ApBp stars to the test: evaluation of the predictions of time-dependent diffusion models

NASA Astrophysics Data System (ADS)

Kochukhov, O.; Ryabchikova, T. A.

2018-02-01

A series of recent theoretical atomic diffusion studies has address the challenging problem of predicting inhomogeneous vertical and horizontal chemical element distributions in the atmospheres of magnetic ApBp stars. Here we critically assess the most sophisticated of such diffusion models - based on a time-dependent treatment of the atomic diffusion in a magnetized stellar atmosphere - by direct comparison with observations as well by testing the widely used surface mapping tools with the spectral line profiles predicted by this theory. We show that the mean abundances of Fe and Cr are grossly underestimated by the time-dependent theoretical diffusion model, with discrepancies reaching a factor of 1000 for Cr. We also demonstrate that Doppler imaging inversion codes, based either on modelling of individual metal lines or line-averaged profiles simulated according to theoretical three-dimensional abundance distribution, are able to reconstruct correct horizontal chemical spot maps despite ignoring the vertical abundance variation. These numerical experiments justify a direct comparison of the empirical two-dimensional Doppler maps with theoretical diffusion calculations. This comparison is generally unfavourable for the current diffusion theory, as very few chemical elements are observed to form overabundance rings in the horizontal field regions as predicted by the theory and there are numerous examples of element accumulations in the vicinity of radial field zones, which cannot be explained by diffusion calculations.

Three-Dimensional Non-Fermi-Liquid Behavior from One-Dimensional Quantum Critical Local Moments

NASA Astrophysics Data System (ADS)

Classen, Laura; Zaliznyak, Igor; Tsvelik, Alexei M.

2018-04-01

We study the temperature dependence of the electrical resistivity in a system composed of critical spin chains interacting with three-dimensional conduction electrons and driven to criticality via an external magnetic field. The relevant experimental system is Yb2 Pt2 Pb , a metal where itinerant electrons coexist with localized moments of Yb ions which can be described in terms of effective S =1 /2 spins with a dominantly one-dimensional exchange interaction. The spin subsystem becomes critical in a relatively weak magnetic field, where it behaves like a Luttinger liquid. We theoretically examine a Kondo lattice with different effective space dimensionalities of the two interacting subsystems. We characterize the corresponding non-Fermi liquid behavior due to the spin criticality by calculating the electronic relaxation rate and the dc resistivity and establish its quasilinear temperature dependence.

Volumetric three-component velocimetry measurements of the turbulent flow around a Rushton turbine

NASA Astrophysics Data System (ADS)

Sharp, Kendra V.; Hill, David; Troolin, Daniel; Walters, Geoffrey; Lai, Wing

2010-01-01

Volumetric three-component velocimetry measurements have been taken of the flow field near a Rushton turbine in a stirred tank reactor. This particular flow field is highly unsteady and three-dimensional, and is characterized by a strong radial jet, large tank-scale ring vortices, and small-scale blade tip vortices. The experimental technique uses a single camera head with three apertures to obtain approximately 15,000 three-dimensional vectors in a cubic volume. These velocity data offer the most comprehensive view to date of this flow field, especially since they are acquired at three Reynolds numbers (15,000, 107,000, and 137,000). Mean velocity fields and turbulent kinetic energy quantities are calculated. The volumetric nature of the data enables tip vortex identification, vortex trajectory analysis, and calculation of vortex strength. Three identification methods for the vortices are compared based on: the calculation of circumferential vorticity; the calculation of local pressure minima via an eigenvalue approach; and the calculation of swirling strength again via an eigenvalue approach. The use of two-dimensional data and three-dimensional data is compared for vortex identification; a `swirl strength' criterion is less sensitive to completeness of the velocity gradient tensor and overall provides clearer identification of the tip vortices. The principal components of the strain rate tensor are also calculated for one Reynolds number case as these measures of stretching and compression have recently been associated with tip vortex characterization. Vortex trajectories and strength compare favorably with those in the literature. No clear dependence of trajectory on Reynolds number is deduced. The visualization of tip vortices up to 140° past blade passage in the highest Reynolds number case is notable and has not previously been shown.

[Measurement of left atrial and ventricular volumes in real-time 3D echocardiography. Validation by nuclear magnetic resonance

NASA Technical Reports Server (NTRS)

Bauer, F.; Shiota, T.; Qin, J. X.; White, R. D.; Thomas, J. D.

2001-01-01

The measurement of the left ventricular ejection fraction is important for the evaluation of cardiomyopathy and depends on the measurement of left ventricular volumes. There are no existing conventional echocardiographic means of measuring the true left atrial and ventricular volumes without mathematical approximations. The aim of this study was to test anew real time 3-dimensional echocardiographic system of calculating left atrial and ventricular volumes in 40 patients after in vitro validation. The volumes of the left atrium and ventricle acquired from real time 3-D echocardiography in the apical view, were calculated in 7 sections parallel to the surface of the probe and compared with atrial (10 patients) and ventricular (30 patients) volumes calculated by nuclear magnetic resonance with the simpson method and with volumes of water in balloons placed in a cistern. Linear regression analysis showed an excellent correlation between the real volume of water in the balloons and volumes given in real time 3-dimensional echocardiography (y = 0.94x + 5.5, r = 0.99, p < 0.001, D = -10 +/- 4.5 ml). A good correlation was observed between real time 3-dimensional echocardiography and nuclear magnetic resonance for the measurement of left atrial and ventricular volumes (y = 0.95x - 10, r = 0.91, p < 0.001, D = -14.8 +/- 19.5 ml and y = 0.87x + 10, r = 0.98, P < 0.001, D = -8.3 +/- 18.7 ml, respectively. The authors conclude that real time three-dimensional echocardiography allows accurate measurement of left heart volumes underlying the clinical potential of this new 3-D method.

A k-space method for acoustic propagation using coupled first-order equations in three dimensions.

PubMed

Tillett, Jason C; Daoud, Mohammad I; Lacefield, James C; Waag, Robert C

2009-09-01

A previously described two-dimensional k-space method for large-scale calculation of acoustic wave propagation in tissues is extended to three dimensions. The three-dimensional method contains all of the two-dimensional method features that allow accurate and stable calculation of propagation. These features are spectral calculation of spatial derivatives, temporal correction that produces exact propagation in a homogeneous medium, staggered spatial and temporal grids, and a perfectly matched boundary layer. Spectral evaluation of spatial derivatives is accomplished using a fast Fourier transform in three dimensions. This computational bottleneck requires all-to-all communication; execution time in a parallel implementation is therefore sensitive to node interconnect latency and bandwidth. Accuracy of the three-dimensional method is evaluated through comparisons with exact solutions for media having spherical inhomogeneities. Large-scale calculations in three dimensions were performed by distributing the nearly 50 variables per voxel that are used to implement the method over a cluster of computers. Two computer clusters used to evaluate method accuracy are compared. Comparisons of k-space calculations with exact methods including absorption highlight the need to model accurately the medium dispersion relationships, especially in large-scale media. Accurately modeled media allow the k-space method to calculate acoustic propagation in tissues over hundreds of wavelengths.

Disorder dependence electron phonon scattering rate of V82Pd18 - xFex alloys at low temperature

NASA Astrophysics Data System (ADS)

Jana, R. N.; Meikap, A. K.

2018-04-01

We have systematically investigated the disorder dependence electron phonon scattering rate in three dimensional disordered V82Pd18 - xFex alloys. A minimum in temperature dependence resistivity curve has been observed at low temperature T =Tm. In the temperature range 5 K ≤ T ≤Tm the resistivity correction follows ρo 5 / 2T 1 / 2 law. The dephasing scattering time has been calculated from analysis of magnetoresistivity by weak localization theory. The electron dephasing time is dominated by electron-phonon scattering and follows anomalous temperature (T) and disorder (ρ0) dependence behaviour like τe-ph-1 ∝T2 /ρ0, where ρ0 is the impurity resistivity. The magnitude of the saturated dephasing scattering time (τ0) at zero temperature decreases with increasing disorder of the samples. Such anomalous behaviour of dephasing scattering rate is still unresolved.

Nonisentropic unsteady three dimensional small disturbance potential theory

NASA Technical Reports Server (NTRS)

Gibbons, M. D.; Whitlow, W., Jr.; Williams, M. H.

1986-01-01

Modifications that allow for more accurate modeling of flow fields when strong shocks are present were made into three dimensional transonic small disturbance (TSD) potential theory. The Engquist-Osher type-dependent differencing was incorporated into the solution algorithm. The modified theory was implemented in the XTRAN3S computer code. Steady flows over a rectangular wing with a constant NACA 0012 airfoil section and an aspect ratio of 12 were calculated for freestream Mach numbers (M) of 0.82, 0.84, and 0.86. The obtained results are compared using the modified and unmodified TSD theories and the results from a three dimensional Euler code are presented. Nonunique solutions in three dimensions are shown to appear for the rectangular wing as aspect ratio increases. Steady and unsteady results are shown for the RAE tailplane model at M = 0.90. Calculations using unmodified theory, modified theory and experimental data are compared.

Time-dependent density functional theory with twist-averaged boundary conditions

NASA Astrophysics Data System (ADS)

Schuetrumpf, B.; Nazarewicz, W.; Reinhard, P.-G.

2016-05-01

Background: Time-dependent density functional theory is widely used to describe excitations of many-fermion systems. In its many applications, three-dimensional (3D) coordinate-space representation is used, and infinite-domain calculations are limited to a finite volume represented by a spatial box. For finite quantum systems (atoms, molecules, nuclei, hadrons), the commonly used periodic or reflecting boundary conditions introduce spurious quantization of the continuum states and artificial reflections from boundary; hence, an incorrect treatment of evaporated particles. Purpose: The finite-volume artifacts for finite systems can be practically cured by invoking an absorbing potential in a certain boundary region sufficiently far from the described system. However, such absorption cannot be applied in the calculations of infinite matter (crystal electrons, quantum fluids, neutron star crust), which suffer from unphysical effects stemming from a finite computational box used. Here, twist-averaged boundary conditions (TABC) have been used successfully to diminish the finite-volume effects. In this work, we extend TABC to time-dependent modes. Method: We use the 3D time-dependent density functional framework with the Skyrme energy density functional. The practical calculations are carried out for small- and large-amplitude electric dipole and quadrupole oscillations of 16O. We apply and compare three kinds of boundary conditions: periodic, absorbing, and twist-averaged. Results: Calculations employing absorbing boundary conditions (ABC) and TABC are superior to those based on periodic boundary conditions. For low-energy excitations, TABC and ABC variants yield very similar results. With only four twist phases per spatial direction in TABC, one obtains an excellent reduction of spurious fluctuations. In the nonlinear regime, one has to deal with evaporated particles. In TABC, the floating nucleon gas remains in the box; the amount of nucleons in the gas is found to be roughly the same as the number of absorbed particles in ABC. Conclusion: We demonstrate that by using TABC, one can reduce finite-volume effects drastically without adding any additional parameters associated with absorption at large distances. Moreover, TABC are an obvious choice for time-dependent calculations for infinite systems. Since TABC calculations for different twists can be performed independently, the method is trivially adapted to parallel computing.

Preliminary Results for the OECD/NEA Time Dependent Benchmark using Rattlesnake, Rattlesnake-IQS and TDKENO

DOE Office of Scientific and Technical Information (OSTI.GOV)

DeHart, Mark D.; Mausolff, Zander; Weems, Zach

2016-08-01

One goal of the MAMMOTH M&S project is to validate the analysis capabilities within MAMMOTH. Historical data has shown limited value for validation of full three-dimensional (3D) multi-physics methods. Initial analysis considered the TREAT startup minimum critical core and one of the startup transient tests. At present, validation is focusing on measurements taken during the M8CAL test calibration series. These exercises will valuable in preliminary assessment of the ability of MAMMOTH to perform coupled multi-physics calculations; calculations performed to date are being used to validate the neutron transport solver Rattlesnake\\cite{Rattlesnake} and the fuels performance code BISON. Other validation projects outsidemore » of TREAT are available for single-physics benchmarking. Because the transient solution capability of Rattlesnake is one of the key attributes that makes it unique for TREAT transient simulations, validation of the transient solution of Rattlesnake using other time dependent kinetics benchmarks has considerable value. The Nuclear Energy Agency (NEA) of the Organization for Economic Cooperation and Development (OECD) has recently developed a computational benchmark for transient simulations. This benchmark considered both two-dimensional (2D) and 3D configurations for a total number of 26 different transients. All are negative reactivity insertions, typically returning to the critical state after some time.« less

Communication: On the calculation of time-dependent electron flux within the Born-Oppenheimer approximation: A flux-flux reflection principle

NASA Astrophysics Data System (ADS)

Albert, Julian; Hader, Kilian; Engel, Volker

2017-12-01

It is commonly assumed that the time-dependent electron flux calculated within the Born-Oppenheimer (BO) approximation vanishes. This is not necessarily true if the flux is directly determined from the continuity equation obeyed by the electron density. This finding is illustrated for a one-dimensional model of coupled electronic-nuclear dynamics. There, the BO flux is in perfect agreement with the one calculated from a solution of the time-dependent Schrödinger equation for the coupled motion. A reflection principle is derived where the nuclear BO flux is mapped onto the electronic flux.

An efficient and robust algorithm for two dimensional time dependent incompressible Navier-Stokes equations: High Reynolds number flows

NASA Technical Reports Server (NTRS)

Goodrich, John W.

1991-01-01

An algorithm is presented for unsteady two-dimensional incompressible Navier-Stokes calculations. This algorithm is based on the fourth order partial differential equation for incompressible fluid flow which uses the streamfunction as the only dependent variable. The algorithm is second order accurate in both time and space. It uses a multigrid solver at each time step. It is extremely efficient with respect to the use of both CPU time and physical memory. It is extremely robust with respect to Reynolds number.

Three-dimensional water impact at normal incidence to a blunt structure

PubMed Central

Cooker, M. J.; Korobkin, A. A.

2016-01-01

The three-dimensional water impact onto a blunt structure with a spreading rectangular contact region is studied. The structure is mounted on a flat rigid plane with the impermeable curved surface of the structure perpendicular to the plane. Before impact, the water region is a rectangular domain of finite thickness bounded from below by the rigid plane and above by the flat free surface. The front free surface of the water region is vertical, representing the front of an advancing steep wave. The water region is initially advancing towards the structure at a constant uniform speed. We are concerned with the slamming loads acting on the surface of the structure during the initial stage of water impact. Air, gravity and surface tension are neglected. The problem is analysed by using some ideas of pressure-impulse theory, but including the time-dependence of the wetted area of the structure. The flow caused by the impact is three-dimensional and incompressible. The distribution of the pressure-impulse (the time-integral of pressure) over the surface of the structure is analysed and compared with the distributions provided by strip theories. The total impulse exerted on the structure during the impact stage is evaluated and compared with numerical and experimental predictions. An example calculation is presented of water impact onto a vertical rigid cylinder. Three-dimensional effects on the slamming loads are the main concern in this study. PMID:27616912

Turbine Vane External Heat Transfer. Volume 2. Numerical Solutions of the Navier-stokes Equations for Two- and Three-dimensional Turbine Cascades with Heat Transfer

NASA Technical Reports Server (NTRS)

Yang, R. J.; Weinberg, B. C.; Shamroth, S. J.; Mcdonald, H.

1985-01-01

The application of the time-dependent ensemble-averaged Navier-Stokes equations to transonic turbine cascade flow fields was examined. In particular, efforts focused on an assessment of the procedure in conjunction with a suitable turbulence model to calculate steady turbine flow fields using an O-type coordinate system. Three cascade configurations were considered. Comparisons were made between the predicted and measured surface pressures and heat transfer distributions wherever available. In general, the pressure predictions were in good agreement with the data. Heat transfer calculations also showed good agreement when an empirical transition model was used. However, further work in the development of laminar-turbulent transitional models is indicated. The calculations showed most of the known features associated with turbine cascade flow fields. These results indicate the ability of the Navier-Stokes analysis to predict, in reasonable amounts of computation time, the surface pressure distribution, heat transfer rates, and viscous flow development for turbine cascades operating at realistic conditions.

Three-Dimensional Non-Fermi-Liquid Behavior from One-Dimensional Quantum Critical Local Moments

DOE PAGES

Classen, Laura; Zaliznyak, Igor; Tsvelik, Alexei M.

2018-04-10

We study the temperature dependence of the electrical resistivity in a system composed of critical spin chains interacting with three dimensional conduction electrons and driven to criticality via an external magnetic field. The relevant experimental system is Yb 2Pt 2Pb, a metal where itinerant electrons coexist with localized moments of Yb-ions which can be described in terms of effective S = 1/2 spins with dominantly one-dimensional exchange interaction. The spin subsystem becomes critical in a relatively weak magnetic field, where it behaves like a Luttinger liquid. We theoretically examine a Kondo lattice with different effective space dimensionalities of the twomore » interacting subsystems. Lastly, we characterize the corresponding non-Fermi liquid behavior due to the spin criticality by calculating the electronic relaxation rate and the dc resistivity and establish its quasi linear temperature dependence.« less

Three-Dimensional Non-Fermi-Liquid Behavior from One-Dimensional Quantum Critical Local Moments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Classen, Laura; Zaliznyak, Igor; Tsvelik, Alexei M.

We study the temperature dependence of the electrical resistivity in a system composed of critical spin chains interacting with three dimensional conduction electrons and driven to criticality via an external magnetic field. The relevant experimental system is Yb 2Pt 2Pb, a metal where itinerant electrons coexist with localized moments of Yb-ions which can be described in terms of effective S = 1/2 spins with dominantly one-dimensional exchange interaction. The spin subsystem becomes critical in a relatively weak magnetic field, where it behaves like a Luttinger liquid. We theoretically examine a Kondo lattice with different effective space dimensionalities of the twomore » interacting subsystems. Lastly, we characterize the corresponding non-Fermi liquid behavior due to the spin criticality by calculating the electronic relaxation rate and the dc resistivity and establish its quasi linear temperature dependence.« less

A Numeric Study of the Dependence of the Surface Temperature of Beta-Layered Regions on Absolute Thickness

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ebey, Peter S.; Asaki, Thomas J.; Hoffer, James K.

2000-01-15

Beta-layering of deuterium-tritium (D-T) ice in spherical shell geometries is numerically and analytically considered to investigate the relationship between temperature differences that arise because of inner-surface perturbations and the absolute shell thickness. The calculations use dimensions based on a proposed design of an inertial confinement fusion target for use at the National Ignition Facility. The temperature differences are calculated within D-T ice shells of varying total thicknesses, and the temperature differences calculated in three dimensions are compared both to the one-dimensional results and to the expected limits in three dimensions for long- and short-wavelength surface perturbations. The three-dimensional numeric resultsmore » agree well with both the long- and short-wavelength limits; the region of crossover from short- to long-wavelength behavior is mapped out. Temperature differences due to surface perturbations are proportional to D-T layer thickness in one-dimensional systems but not in three-dimensional spherical shells. In spherical shells, surface perturbations of long wavelength give rise to temperature perturbations that are approximately proportional to the total shell thickness, while for short-wavelength perturbations, the temperature differences are inversely related to total shell thickness. In contrast to the one-dimensional result, we find that in three dimensions there is not a general relationship between shell thickness and surface temperature differences.« less

TEMPEST: A three-dimensional time-dependent computer program for hydrothermal analysis: Volume 1, Numerical methods and input instructions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trent, D.S.; Eyler, L.L.; Budden, M.J.

This document describes the numerical methods, current capabilities, and the use of the TEMPEST (Version L, MOD 2) computer program. TEMPEST is a transient, three-dimensional, hydrothermal computer program that is designed to analyze a broad range of coupled fluid dynamic and heat transfer systems of particular interest to the Fast Breeder Reactor thermal-hydraulic design community. The full three-dimensional, time-dependent equations of motion, continuity, and heat transport are solved for either laminar or turbulent fluid flow, including heat diffusion and generation in both solid and liquid materials. 10 refs., 22 figs., 2 tabs.

Wavepacket dynamics and the multi-configurational time-dependent Hartree approach

NASA Astrophysics Data System (ADS)

Manthe, Uwe

2017-06-01

Multi-configurational time-dependent Hartree (MCTDH) based approaches are efficient, accurate, and versatile methods for high-dimensional quantum dynamics simulations. Applications range from detailed investigations of polyatomic reaction processes in the gas phase to high-dimensional simulations studying the dynamics of condensed phase systems described by typical solid state physics model Hamiltonians. The present article presents an overview of the different areas of application and provides a comprehensive review of the underlying theory. The concepts and guiding ideas underlying the MCTDH approach and its multi-mode and multi-layer extensions are discussed in detail. The general structure of the equations of motion is highlighted. The representation of the Hamiltonian and the correlated discrete variable representation (CDVR), which provides an efficient multi-dimensional quadrature in MCTDH calculations, are discussed. Methods which facilitate the calculation of eigenstates, the evaluation of correlation functions, and the efficient representation of thermal ensembles in MCTDH calculations are described. Different schemes for the treatment of indistinguishable particles in MCTDH calculations and recent developments towards a unified multi-layer MCTDH theory for systems including bosons and fermions are discussed.

Calculation of wake vortex structures in the near-field wake behind cruising aircraft

NASA Astrophysics Data System (ADS)

Ehret, T.; Oertel, H.

Wake flows behind cruising aircraft influence the distribution of the exhaust gases. A three-dimensional vortex filament method was developed to calculate the vortex structures and the velocity field of the vorticity dominated wake flows as an integration of the Biot-Savart law. For three-dimensional vortex filament calculations, self-induction singularities were prevented using a finite vortex core for each vortex filament. Numerical simulations show the vortex structures and the velocity field in the wake behind a cruising Boeing 747 as a result of the integration of the Biot-Savart law. It is further shown how the structures of the fully rolled-up trailing vortices depend on the wing span loading, i.e. the circulation distribution.

Characteristics of strain-sensitive photonic crystal cavities in a flexible substrate.

PubMed

No, You-Shin; Choi, Jae-Hyuck; Kim, Kyoung-Ho; Park, Hong-Gyu

2016-11-14

High-index semiconductor photonic crystal (PhC) cavities in a flexible substrate support strong and tunable optical resonances that can be used for highly sensitive and spatially localized detection of mechanical deformations in physical systems. Here, we report theoretical studies and fundamental understandings of resonant behavior of an optical mode excited in strain-sensitive rod-type PhC cavities consisting of high-index dielectric nanorods embedded in a low-index flexible polymer substrate. Using the three-dimensional finite-difference time-domain simulation method, we calculated two-dimensional transverse-electric-like photonic band diagrams and the three-dimensional dispersion surfaces near the first Γ-point band edge of unidirectionally strained PhCs. A broken rotational symmetry in the PhCs modifies the photonic band structures and results in the asymmetric distributions and different levels of changes in normalized frequencies near the first Γ-point band edge in the reciprocal space, which consequently reveals strain-dependent directional optical losses and selected emission patterns. The calculated electric fields, resonant wavelengths, and quality factors of the band-edge modes in the strained PhCs show an excellent agreement with the results of qualitative analysis of modified dispersion surfaces. Furthermore, polarization-resolved time-averaged Poynting vectors exhibit characteristic dipole-like emission patterns with preferentially selected linear polarizations, originating from the asymmetric band structures in the strained PhCs.

High-speed technique based on a parallel projection correlation procedure for digital image correlation

NASA Astrophysics Data System (ADS)

Zaripov, D. I.; Renfu, Li

2018-05-01

The implementation of high-efficiency digital image correlation methods based on a zero-normalized cross-correlation (ZNCC) procedure for high-speed, time-resolved measurements using a high-resolution digital camera is associated with big data processing and is often time consuming. In order to speed-up ZNCC computation, a high-speed technique based on a parallel projection correlation procedure is proposed. The proposed technique involves the use of interrogation window projections instead of its two-dimensional field of luminous intensity. This simplification allows acceleration of ZNCC computation up to 28.8 times compared to ZNCC calculated directly, depending on the size of interrogation window and region of interest. The results of three synthetic test cases, such as a one-dimensional uniform flow, a linear shear flow and a turbulent boundary-layer flow, are discussed in terms of accuracy. In the latter case, the proposed technique is implemented together with an iterative window-deformation technique. On the basis of the results of the present work, the proposed technique is recommended to be used for initial velocity field calculation, with further correction using more accurate techniques.

Evaluation of the Anisotropic Radiative Conductivity of a Low-Density Carbon Fiber Material from Realistic Microscale Imaging

NASA Technical Reports Server (NTRS)

Nouri, Nima; Panerai, Francesco; Tagavi, Kaveh A.; Mansour, Nagi N.; Martin, Alexandre

2015-01-01

The radiative heat transfer inside a low-density carbon fiber insulator is analyzed using a three-dimensional direct simulation model. A robust procedure is presented for the numerical calculation of the geometric configuration factor to compute the radiative energy exchange processes among the small discretized surface areas of the fibrous material. The methodology is applied to a polygonal mesh of a fibrous insulator obtained from three-dimensional microscale imaging of the real material. The anisotropic values of the radiative conductivity are calculated for that geometry. The results yield both directional and thermal dependence of the radiative conductivity.

The effect of the solar rotational irradiance variation on the middle and upper atmosphere calculated by a three-dimensional chemistry-climate model

NASA Astrophysics Data System (ADS)

Gruzdev, A. N.; Schmidt, H.; Brasseur, G. P.

2009-01-01

This paper analyzes the effects of the solar rotational (27-day) irradiance variations on the chemical composition and temperature of the stratosphere, mesosphere and lower thermosphere as simulated by the three-dimensional chemistry-climate model HAMMONIA. Different methods are used to analyze the model results, including high resolution spectral and cross-spectral techniques. To force the simulations, an idealized irradiance variation with a constant period of 27 days (apparent solar rotation period) and with constant amplitude is used. While the calculated thermal and chemical responses are very distinct and permanent in the upper atmosphere, the responses in the stratosphere and mesosphere vary considerably in time despite the constant forcing. The responses produced by the model exhibit a non-linear behavior: in general, the response sensitivities (not amplitudes) decrease with increasing amplitude of the forcing. In the extratropics the responses are, in general, seasonally dependent with frequently stronger sensitivities in winter than in summer. Amplitude and phase lag of the ozone response in the tropical stratosphere and lower mesosphere are in satisfactory agreement with available observations. The agreement between the calculated and observed temperature response is generally worse than in the case of ozone.

Conjugate-gradient optimization method for orbital-free density functional calculations.

PubMed

Jiang, Hong; Yang, Weitao

2004-08-01

Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient numerical methodology. In this paper, we developed a conjugate-gradient method for the numerical solution of spin-dependent extended Thomas-Fermi equation by incorporating techniques previously used in Kohn-Sham calculations. The key ingredient of the method is an approximate line-search scheme and a collective treatment of two spin densities in the case of spin-dependent extended Thomas-Fermi problem. Test calculations for a quartic two-dimensional quantum dot system and a three-dimensional sodium cluster Na216 with a local pseudopotential demonstrate that the method is accurate and efficient. (c) 2004 American Institute of Physics.

Experimental characterization of an ultra-fast Thomson scattering x-ray source with three-dimensional time and frequency-domain analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuba, J; Slaughter, D R; Fittinghoff, D N

We present a detailed comparison of the measured characteristics of Thomson backscattered x-rays produced at the PLEIADES (Picosecond Laser-Electron Interaction for the Dynamic Evaluation of Structures) facility at Lawrence Livermore National Laboratory to predicted results from a newly developed, fully three-dimensional time and frequency-domain code. Based on the relativistic differential cross section, this code has the capability to calculate time and space dependent spectra of the x-ray photons produced from linear Thomson scattering for both bandwidth-limited and chirped incident laser pulses. Spectral broadening of the scattered x-ray pulse resulting from the incident laser bandwidth, perpendicular wave vector components in themore » laser focus, and the transverse and longitudinal phase space of the electron beam are included. Electron beam energy, energy spread, and transverse phase space measurements of the electron beam at the interaction point are presented, and the corresponding predicted x-ray characteristics are determined. In addition, time-integrated measurements of the x-rays produced from the interaction are presented, and shown to agree well with the simulations.« less

Three-dimensional time-dependent STAR reactor kinetics analyses coupled with RETRAN and MCPWR system response

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feltus, M.A.

1989-11-01

The operation of a nuclear power plant must be regularly supported by various reactor dynamics and thermal-hydraulic analyses, which may include final safety analysis report (FSAR) design-basis calculations, and conservative and best-estimate analyses. The development and improvement of computer codes and analysis methodologies provide many advantages, including the ability to evaluate the effect of modeling simplifications and assumptions made in previous reactor kinetics and thermal-hydraulic calculations. This paper describes the results of using the RETRAN, MCPWR, and STAR codes in a tandem, predictive-corrective manner for three pressurized water reactor (PWR) transients: (a) loss of feedwater (LOF) anticipated transient without scrammore » (ATWS), (b) station blackout ATWS, and (c) loss of total reactor coolant system (RCS) flow with a scram.« less

An implicit fast Fourier transform method for integration of the time dependent Schrodinger equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riley, M.E.; Ritchie, A.B.

1997-12-31

One finds that the conventional exponentiated split operator procedure is subject to difficulties when solving the time-dependent Schrodinger equation for Coulombic systems. By rearranging the kinetic and potential energy terms in the temporal propagator of the finite difference equations, one can find a propagation algorithm for three dimensions that looks much like the Crank-Nicholson and alternating direction implicit methods for one- and two-space-dimensional partial differential equations. The authors report investigations of this novel implicit split operator procedure. The results look promising for a purely numerical approach to certain electron quantum mechanical problems. A charge exchange calculation is presented as anmore » example of the power of the method.« less

Construction of Three Dimensional Solutions for the Maxwell Equations

NASA Technical Reports Server (NTRS)

Yefet, A.; Turkel, E.

1998-01-01

We consider numerical solutions for the three dimensional time dependent Maxwell equations. We construct a fourth order accurate compact implicit scheme and compare it to the Yee scheme for free space in a box.

Time-dependent calculations of transfer ionization by fast proton-helium collision in one-dimensional kinematics

NASA Astrophysics Data System (ADS)

Serov, Vladislav V.; Kheifets, A. S.

2014-12-01

We analyze a transfer ionization (TI) reaction in the fast proton-helium collision H++He →H0+He2 ++ e- by solving a time-dependent Schrödinger equation (TDSE) under the classical projectile motion approximation in one-dimensional kinematics. In addition, we construct various time-independent analogs of our model using lowest-order perturbation theory in the form of the Born series. By comparing various aspects of the TDSE and the Born series calculations, we conclude that the recent discrepancies of experimental and theoretical data may be attributed to deficiency of the Born models used by other authors. We demonstrate that the correct Born series for TI should include the momentum-space overlap between the double-ionization amplitude and the wave function of the transferred electron.

Using time-dependent density functional theory in real time for calculating electronic transport

NASA Astrophysics Data System (ADS)

Schaffhauser, Philipp; Kümmel, Stephan

2016-01-01

We present a scheme for calculating electronic transport within the propagation approach to time-dependent density functional theory. Our scheme is based on solving the time-dependent Kohn-Sham equations on grids in real space and real time for a finite system. We use absorbing and antiabsorbing boundaries for simulating the coupling to a source and a drain. The boundaries are designed to minimize the effects of quantum-mechanical reflections and electrical polarization build-up, which are the major obstacles when calculating transport by applying an external bias to a finite system. We show that the scheme can readily be applied to real molecules by calculating the current through a conjugated molecule as a function of time. By comparing to literature results for the conjugated molecule and to analytic results for a one-dimensional model system we demonstrate the reliability of the concept.

Long-Time Numerical Integration of the Three-Dimensional Wave Equation in the Vicinity of a Moving Source

NASA Technical Reports Server (NTRS)

Ryabenkii, V. S.; Turchaninov, V. I.; Tsynkov, S. V.

1999-01-01

We propose a family of algorithms for solving numerically a Cauchy problem for the three-dimensional wave equation. The sources that drive the equation (i.e., the right-hand side) are compactly supported in space for any given time; they, however, may actually move in space with a subsonic speed. The solution is calculated inside a finite domain (e.g., sphere) that also moves with a subsonic speed and always contains the support of the right-hand side. The algorithms employ a standard consistent and stable explicit finite-difference scheme for the wave equation. They allow one to calculate tile solution for arbitrarily long time intervals without error accumulation and with the fixed non-growing amount of tile CPU time and memory required for advancing one time step. The algorithms are inherently three-dimensional; they rely on the presence of lacunae in the solutions of the wave equation in oddly dimensional spaces. The methodology presented in the paper is, in fact, a building block for constructing the nonlocal highly accurate unsteady artificial boundary conditions to be used for the numerical simulation of waves propagating with finite speed over unbounded domains.

Transverse-momentum-dependent quark distribution functions of spin-one targets: Formalism and covariant calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ninomiya, Yu; Bentz, Wolfgang; Cloet, Ian C.

In this paper, we present a covariant formulation and model calculations of the leading-twist time-reversal even transverse-momentum-dependent quark distribution functions (TMDs) for a spin-one target. Emphasis is placed on a description of these three-dimensional distribution functions which is independent of any constraints on the spin quantization axis. We apply our covariant spin description to all nine leading-twist time-reversal even ρ meson TMDs in the framework provided by the Nambu–Jona-Lasinio model, incorporating important aspects of quark confinement via the infrared cutoff in the proper-time regularization scheme. In particular, the behaviors of the three-dimensional TMDs in a tensor polarized spin-one hadron aremore » illustrated. Sum rules and positivity constraints are discussed in detail. Our results do not exhibit the familiar Gaussian behavior in the transverse momentum, and other results of interest include the finding that the tensor polarized TMDs—associated with spin-one hadrons—are very sensitive to quark orbital angular momentum, and that the TMDs associated with the quark operator γ +γ Tγ 5 would vanish were it not for dynamical chiral symmetry breaking. In addition, we find that 44% of the ρ meson's spin is carried by the orbital angular momentum of the quarks, and that the magnitude of the tensor polarized quark distribution function is about 30% of the unpolarized quark distribution. Finally, a qualitative comparison between our results for the tensor structure of a quark-antiquark bound state is made to existing experimental and theoretical results for the two-nucleon (deuteron) bound state.« less

Transverse-momentum-dependent quark distribution functions of spin-one targets: Formalism and covariant calculations

DOE PAGES

Ninomiya, Yu; Bentz, Wolfgang; Cloet, Ian C.

2017-10-24

In this paper, we present a covariant formulation and model calculations of the leading-twist time-reversal even transverse-momentum-dependent quark distribution functions (TMDs) for a spin-one target. Emphasis is placed on a description of these three-dimensional distribution functions which is independent of any constraints on the spin quantization axis. We apply our covariant spin description to all nine leading-twist time-reversal even ρ meson TMDs in the framework provided by the Nambu–Jona-Lasinio model, incorporating important aspects of quark confinement via the infrared cutoff in the proper-time regularization scheme. In particular, the behaviors of the three-dimensional TMDs in a tensor polarized spin-one hadron aremore » illustrated. Sum rules and positivity constraints are discussed in detail. Our results do not exhibit the familiar Gaussian behavior in the transverse momentum, and other results of interest include the finding that the tensor polarized TMDs—associated with spin-one hadrons—are very sensitive to quark orbital angular momentum, and that the TMDs associated with the quark operator γ +γ Tγ 5 would vanish were it not for dynamical chiral symmetry breaking. In addition, we find that 44% of the ρ meson's spin is carried by the orbital angular momentum of the quarks, and that the magnitude of the tensor polarized quark distribution function is about 30% of the unpolarized quark distribution. Finally, a qualitative comparison between our results for the tensor structure of a quark-antiquark bound state is made to existing experimental and theoretical results for the two-nucleon (deuteron) bound state.« less

Three-dimensional Simulations of Pure Deflagration Models for Thermonuclear Supernovae

NASA Astrophysics Data System (ADS)

Long, Min; Jordan, George C., IV; van Rossum, Daniel R.; Diemer, Benedikt; Graziani, Carlo; Kessler, Richard; Meyer, Bradley; Rich, Paul; Lamb, Don Q.

2014-07-01

We present a systematic study of the pure deflagration model of Type Ia supernovae (SNe Ia) using three-dimensional, high-resolution, full-star hydrodynamical simulations, nucleosynthetic yields calculated using Lagrangian tracer particles, and light curves calculated using radiation transport. We evaluate the simulations by comparing their predicted light curves with many observed SNe Ia using the SALT2 data-driven model and find that the simulations may correspond to under-luminous SNe Iax. We explore the effects of the initial conditions on our results by varying the number of randomly selected ignition points from 63 to 3500, and the radius of the centered sphere they are confined in from 128 to 384 km. We find that the rate of nuclear burning depends on the number of ignition points at early times, the density of ignition points at intermediate times, and the radius of the confining sphere at late times. The results depend primarily on the number of ignition points, but we do not expect this to be the case in general. The simulations with few ignition points release more nuclear energy E nuc, have larger kinetic energies E K, and produce more 56Ni than those with many ignition points, and differ in the distribution of 56Ni, Si, and C/O in the ejecta. For these reasons, the simulations with few ignition points exhibit higher peak B-band absolute magnitudes M B and light curves that rise and decline more quickly; their M B and light curves resemble those of under-luminous SNe Iax, while those for simulations with many ignition points are not.

Quantification of three-dimensional cell-mediated collagen remodeling using graph theory.

PubMed

Bilgin, Cemal Cagatay; Lund, Amanda W; Can, Ali; Plopper, George E; Yener, Bülent

2010-09-30

Cell cooperation is a critical event during tissue development. We present the first precise metrics to quantify the interaction between mesenchymal stem cells (MSCs) and extra cellular matrix (ECM). In particular, we describe cooperative collagen alignment process with respect to the spatio-temporal organization and function of mesenchymal stem cells in three dimensions. We defined two precise metrics: Collagen Alignment Index and Cell Dissatisfaction Level, for quantitatively tracking type I collagen and fibrillogenesis remodeling by mesenchymal stem cells over time. Computation of these metrics was based on graph theory and vector calculus. The cells and their three dimensional type I collagen microenvironment were modeled by three dimensional cell-graphs and collagen fiber organization was calculated from gradient vectors. With the enhancement of mesenchymal stem cell differentiation, acceleration through different phases was quantitatively demonstrated. The phases were clustered in a statistically significant manner based on collagen organization, with late phases of remodeling by untreated cells clustering strongly with early phases of remodeling by differentiating cells. The experiments were repeated three times to conclude that the metrics could successfully identify critical phases of collagen remodeling that were dependent upon cooperativity within the cell population. Definition of early metrics that are able to predict long-term functionality by linking engineered tissue structure to function is an important step toward optimizing biomaterials for the purposes of regenerative medicine.

From Two- to Three-Dimensional Structures of a Supertetrahedral Boran Using Density Functional Calculations.

PubMed

Getmanskii, Iliya V; Minyaev, Ruslan M; Steglenko, Dmitrii V; Koval, Vitaliy V; Zaitsev, Stanislav A; Minkin, Vladimir I

2017-08-14

With help of the DFT calculations and imposing of periodic boundary conditions the geometrical and electronic structures were investigated of two- and three-dimensional boron systems designed on the basis of graphane and diamond lattices in which carbons were replaced with boron tetrahedrons. The consequent studies of two- and three-layer systems resulted in the construction of a three-dimensional supertetrahedral borane crystal structure. The two-dimensional supertetrahedral borane structures with less than seven layers are dynamically unstable. At the same time the three-dimensional superborane systems were found to be dynamically stable. Lack of the forbidden electronic zone for the studied boron systems testifies that these structures can behave as good conductors. The low density of the supertetrahedral borane crystal structures (0.9 g cm -3 ) is close to that of water, which offers the perspective for their application as aerospace and cosmic materials. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Study on prestressed concrete reactor vessel structures. II-5: Crack analysis by three dimensional finite elements method of 1/20 multicavity type PCRV subjected to internal pressure

NASA Technical Reports Server (NTRS)

1978-01-01

A three-dimensional finite elements analysis is reported of the nonlinear behavior of PCRV subjected to internal pressure by comparing calculated results with test results. As the first stage, an analysis considering the nonlinearity of cracking in concrete was attempted. As a result, it is found possible to make an analysis up to three times the design pressure (50 kg/sqcm), and calculated results agree well with test results.

A geometry package for generation of input data for a three-dimensional potential-flow program

NASA Technical Reports Server (NTRS)

Halsey, N. D.; Hess, J. L.

1978-01-01

The preparation of geometric data for input to three-dimensional potential flow programs was automated and simplified by a geometry package incorporated into the NASA Langley version of the 3-D lifting potential flow program. Input to the computer program for the geometry package consists of a very sparse set of coordinate data, often with an order of magnitude of fewer points than required for the actual potential flow calculations. Isolated components, such as wings, fuselages, etc. are paneled automatically, using one of several possible element distribution algorithms. Curves of intersection between components are calculated, using a hybrid curve-fit/surface-fit approach. Intersecting components are repaneled so that adjacent elements on either side of the intersection curves line up in a satisfactory manner for the potential-flow calculations. Many cases may be run completely (from input, through the geometry package, and through the flow calculations) without interruption. Use of the package significantly reduces the time and expense involved in making three-dimensional potential flow calculations.

The application of holography as a real-time three-dimensional motion picture camera

NASA Technical Reports Server (NTRS)

Kurtz, R. L.

1973-01-01

A historical introduction to holography is presented, as well as a basic description of sideband holography for stationary objects. A brief theoretical development of both time-dependent and time-independent holography is also provided, along with an analytical and intuitive discussion of a unique holographic arrangement which allows the resolution of front surface detail from an object moving at high speeds. As an application of such a system, a real-time three-dimensional motion picture camera system is discussed and the results of a recent demonstration of the world's first true three-dimensional motion picture are given.

Three-dimensional finite element analysis for high velocity impact. [of projectiles from space debris

NASA Technical Reports Server (NTRS)

Chan, S. T. K.; Lee, C. H.; Brashears, M. R.

1975-01-01

A finite element algorithm for solving unsteady, three-dimensional high velocity impact problems is presented. A computer program was developed based on the Eulerian hydroelasto-viscoplastic formulation and the utilization of the theorem of weak solutions. The equations solved consist of conservation of mass, momentum, and energy, equation of state, and appropriate constitutive equations. The solution technique is a time-dependent finite element analysis utilizing three-dimensional isoparametric elements, in conjunction with a generalized two-step time integration scheme. The developed code was demonstrated by solving one-dimensional as well as three-dimensional impact problems for both the inviscid hydrodynamic model and the hydroelasto-viscoplastic model.

A two-dimensional time domain near zone to far zone transformation

NASA Technical Reports Server (NTRS)

Luebbers, Raymond J.; Ryan, Deirdre; Beggs, John H.; Kunz, Karl S.

1991-01-01

A time domain transformation useful for extrapolating three dimensional near zone finite difference time domain (FDTD) results to the far zone was presented. Here, the corresponding two dimensional transform is outlined. While the three dimensional transformation produced a physically observable far zone time domain field, this is not convenient to do directly in two dimensions, since a convolution would be required. However, a representative two dimensional far zone time domain result can be obtained directly. This result can then be transformed to the frequency domain using a Fast Fourier Transform, corrected with a simple multiplicative factor, and used, for example, to calculate the complex wideband scattering width of a target. If an actual time domain far zone result is required, it can be obtained by inverse Fourier transform of the final frequency domain result.

Entanglement entropy of one-dimensional gases.

PubMed

Calabrese, Pasquale; Mintchev, Mihail; Vicari, Ettore

2011-07-08

We introduce a systematic framework to calculate the bipartite entanglement entropy of a spatial subsystem in a one-dimensional quantum gas which can be mapped into a noninteracting fermion system. To show the wide range of applicability of the proposed formalism, we use it for the calculation of the entanglement in the eigenstates of periodic systems, in a gas confined by boundaries or external potentials, in junctions of quantum wires, and in a time-dependent parabolic potential.

Multigrid calculation of three-dimensional viscous cascade flows

NASA Technical Reports Server (NTRS)

Arnone, A.; Liou, M.-S.; Povinelli, L. A.

1991-01-01

A three-dimensional code for viscous cascade flow prediction has been developed. The space discretization uses a cell-centered scheme with eigenvalue scaling to weigh the artificial dissipation terms. Computational efficiency of a four-stage Runge-Kutta scheme is enhanced by using variable coefficients, implicit residual smoothing, and a full-multigrid method. The Baldwin-Lomax eddy-viscosity model is used for turbulence closure. A zonal, nonperiodic grid is used to minimize mesh distortion in and downstream of the throat region. Applications are presented for an annular vane with and without end wall contouring, and for a large-scale linear cascade. The calculation is validated by comparing with experiments and by studying grid dependency.

A spectral-finite difference solution of the Navier-Stokes equations in three dimensions

NASA Astrophysics Data System (ADS)

Alfonsi, Giancarlo; Passoni, Giuseppe; Pancaldo, Lea; Zampaglione, Domenico

1998-07-01

A new computational code for the numerical integration of the three-dimensional Navier-Stokes equations in their non-dimensional velocity-pressure formulation is presented. The system of non-linear partial differential equations governing the time-dependent flow of a viscous incompressible fluid in a channel is managed by means of a mixed spectral-finite difference method, in which different numerical techniques are applied: Fourier decomposition is used along the homogeneous directions, second-order Crank-Nicolson algorithms are employed for the spatial derivatives in the direction orthogonal to the solid walls and a fourth-order Runge-Kutta procedure is implemented for both the calculation of the convective term and the time advancement. The pressure problem, cast in the Helmholtz form, is solved with the use of a cyclic reduction procedure. No-slip boundary conditions are used at the walls of the channel and cyclic conditions are imposed at the other boundaries of the computing domain.Results are provided for different values of the Reynolds number at several time steps of integration and are compared with results obtained by other authors.

SU-E-T-279: Realization of Three-Dimensional Conformal Dose Planning in Prostate Brachytherapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Z; Jiang, S; Yang, Z

2014-06-01

Purpose: Successful clinical treatment in prostate brachytherapy is largely dependent on the effectiveness of pre-surgery dose planning. Conventional dose planning method could hardly arrive at a satisfy result. In this abstract, a three-dimensional conformal localized dose planning method is put forward to ensure the accuracy and effectiveness of pre-implantation dose planning. Methods: Using Monte Carlo method, the pre-calculated 3-D dose map for single source is obtained. As for multiple seeds dose distribution, the maps are combined linearly to acquire the 3-D distribution. The 3-D dose distribution is exhibited in the form of isodose surface together with reconstructed 3-D organs groupmore » real-timely. Then it is possible to observe the dose exposure to target volume and normal tissues intuitively, thus achieving maximum dose irradiation to treatment target and minimum healthy tissues damage. In addition, the exfoliation display of different isodose surfaces can be realized applying multi-values contour extraction algorithm based on voxels. The needles could be displayed in the system by tracking the position of the implanted seeds in real time to conduct block research in optimizing insertion trajectory. Results: This study extends dose planning from two-dimensional to three-dimensional, realizing the three-dimensional conformal irradiation, which could eliminate the limitations of 2-D images and two-dimensional dose planning. A software platform is developed using VC++ and Visualization Toolkit (VTK) to perform dose planning. The 3-D model reconstruction time is within three seconds (on a Intel Core i5 PC). Block research could be conducted to avoid inaccurate insertion into sensitive organs or internal obstructions. Experiments on eight prostate cancer cases prove that this study could make the dose planning results more reasonable. Conclusion: The three-dimensional conformal dose planning method could improve the rationality of dose planning by safely reducing the large target margin and avoiding dose dead zones for prostate cancer treatment. 1) National Natural Science Foundation of People's Republic of China (No. 51175373); 2) New Century Educational Talents Plan of Chinese Education Ministry (NCET-10-0625); 3) Scientific and Technological Major Project, Tianjin (No. 12ZCDZSY10600)« less

The effectiveness of element downsizing on a three-dimensional finite element model of bone trabeculae in implant biomechanics.

PubMed

Sato, Y; Wadamoto, M; Tsuga, K; Teixeira, E R

1999-04-01

More validity of finite element analysis in implant biomechanics requires element downsizing. However, excess downsizing needs computer memory and calculation time. To investigate the effectiveness of element downsizing on the construction of a three-dimensional finite element bone trabeculae model, with different element sizes (600, 300, 150 and 75 microm) models were constructed and stress induced by vertical 10 N loading was analysed. The difference in von Mises stress values between the models with 600 and 300 microm element sizes was larger than that between 300 and 150 microm. On the other hand, no clear difference of stress values was detected among the models with 300, 150 and 75 microm element sizes. Downsizing of elements from 600 to 300 microm is suggested to be effective in the construction of a three-dimensional finite element bone trabeculae model for possible saving of computer memory and calculation time in the laboratory.

On the instability of a three-dimensional attachment-line boundary layer - Weakly nonlinear theory and a numerical approach

NASA Technical Reports Server (NTRS)

Hall, P.; Malik, M. R.

1986-01-01

The instability of a three-dimensional attachment-line boundary layer is considered in the nonlinear regime. Using weakly nonlinear theory, it is found that, apart from a small interval near the (linear) critical Reynolds number, finite-amplitude solutions bifurcate subcritically from the upper branch of the neutral curve. The time-dependent Navier-Stokes equations for the attachment-line flow have been solved using a Fourier-Chebyshev spectral method and the subcritical instability is found at wavenumbers that correspond to the upper branch. Both the theory and the numerical calculations show the existence of supercritical finite-amplitude (equilibrium) states near the lower branch which explains why the observed flow exhibits a preference for the lower branch modes. The effect of blowing and suction on nonlinear stability of the attachment-line boundary layer is also investigated.

Real-time aerodynamic heating and surface temperature calculations for hypersonic flight simulation

NASA Technical Reports Server (NTRS)

Quinn, Robert D.; Gong, Leslie

1990-01-01

A real-time heating algorithm was derived and installed on the Ames Research Center Dryden Flight Research Facility real-time flight simulator. This program can calculate two- and three-dimensional stagnation point surface heating rates and surface temperatures. The two-dimensional calculations can be made with or without leading-edge sweep. In addition, upper and lower surface heating rates and surface temperatures for flat plates, wedges, and cones can be calculated. Laminar or turbulent heating can be calculated, with boundary-layer transition made a function of free-stream Reynolds number and free-stream Mach number. Real-time heating rates and surface temperatures calculated for a generic hypersonic vehicle are presented and compared with more exact values computed by a batch aeroheating program. As these comparisons show, the heating algorithm used on the flight simulator calculates surface heating rates and temperatures well within the accuracy required to evaluate flight profiles for acceptable heating trajectories.

Time-Spectral Rotorcraft Simulations on Overset Grids

NASA Technical Reports Server (NTRS)

Leffell, Joshua I.; Murman, Scott M.; Pulliam, Thomas H.

2014-01-01

The Time-Spectral method is derived as a Fourier collocation scheme and applied to NASA's overset Reynolds-averaged Navier-Stokes (RANS) solver OVERFLOW. The paper outlines the Time-Spectral OVERFLOWimplementation. Successful low-speed laminar plunging NACA 0012 airfoil simulations demonstrate the capability of the Time-Spectral method to resolve the highly-vortical wakes typical of more expensive three-dimensional rotorcraft configurations. Dealiasing, in the form of spectral vanishing viscosity (SVV), facilitates the convergence of Time-Spectral calculations of high-frequency flows. Finally, simulations of the isolated V-22 Osprey tiltrotor for both hover and forward (edgewise) flight validate the three-dimensional Time-Spectral OVERFLOW implementation. The Time-Spectral hover simulation matches the time-accurate calculation using a single harmonic. Significantly more temporal modes and SVV are required to accurately compute the forward flight case because of its more active, high-frequency wake.

Time-Dependent Hartree-Fock Approach to Nuclear Pasta at Finite Temperature

NASA Astrophysics Data System (ADS)

Schuetrumpf, B.; Klatt, M. A.; Iida, K.; Maruhn, J. A.; Mecke, K.; Reinhard, P.-G.

2013-03-01

We present simulations of neutron-rich matter at subnuclear densities, like supernova matter, with the time-dependent Hartree-Fock approximation at temperatures of several MeV. The initial state consists of α particles randomly distributed in space that have a Maxwell-Boltzmann distribution in momentum space. Adding a neutron background initialized with Fermi distributed plane waves the calculations reflect a reasonable approximation of astrophysical matter. This matter evolves into spherical, rod-like, and slab-like shapes and mixtures thereof. The simulations employ a full Skyrme interaction in a periodic three-dimensional grid. By an improved morphological analysis based on Minkowski functionals, all eight pasta shapes can be uniquely identified by the sign of only two valuations, namely the Euler characteristic and the integral mean curvature.

Shading of a computer-generated hologram by zone plate modulation.

PubMed

Kurihara, Takayuki; Takaki, Yasuhiro

2012-02-13

We propose a hologram calculation technique that enables reconstructing a shaded three-dimensional (3D) image. The amplitude distributions of zone plates, which generate the object points that constitute a 3D object, were two-dimensionally modulated. Two-dimensional (2D) amplitude modulation was determined on the basis of the Phong reflection model developed for computer graphics, which considers the specular, diffuse, and ambient reflection light components. The 2D amplitude modulation added variable and constant modulations: the former controlled the specular light component and the latter controlled the diffuse and ambient components. The proposed calculation technique was experimentally verified. The reconstructed image showed specular reflection that varied depending on the viewing position.

Real time animation of space plasma phenomena

NASA Technical Reports Server (NTRS)

Jordan, K. F.; Greenstadt, E. W.

1987-01-01

In pursuit of real time animation of computer simulated space plasma phenomena, the code was rewritten for the Massively Parallel Processor (MPP). The program creates a dynamic representation of the global bowshock which is based on actual spacecraft data and designed for three dimensional graphic output. This output consists of time slice sequences which make up the frames of the animation. With the MPP, 16384, 512 or 4 frames can be calculated simultaneously depending upon which characteristic is being computed. The run time was greatly reduced which promotes the rapid sequence of images and makes real time animation a foreseeable goal. The addition of more complex phenomenology in the constructed computer images is now possible and work proceeds to generate these images.

RACE and Calculations of Three-dimensional Distributed Cavity Phase Shifts

NASA Technical Reports Server (NTRS)

Li, Ruoxin; Gibble, Kurt

2003-01-01

The design for RACE, a Rb-clock flight experiment for the ISS, is described. The cold collision shift and multiple launching (juggling) have important implications for the design and the resulting clock accuracy and stability. We present and discuss the double clock design for RACE. This design reduces the noise contributions of the local oscillator and simplifies and enhances an accuracy evaluation of the clock. As we try to push beyond the current accuracies of clocks, new systematic errors become important. The best fountain clocks are using cylindrical TE(sub 011) microwave cavities. We recently pointed out that many atoms pass through a node of the standing wave microwave field in these cavities. Previous studies have shown potentially large frequency shifts for atoms passing through nodes in a TE(sub 013) cavity. The shift occurs because there is a small traveling wave component due to the absorption of the copper cavity walls. The small traveling wave component leads to position dependent phase shifts. To study these effects, we perform Finite Element calculations. Three-dimensional Finite Element calculations require significant computer resources. Here we show that the cylindrical boundary condition can be Fourier decomposed to a short series of two-dimensional problems. This dramatically reduces the time and memory required and we obtain (3D) phase distributions for a variety of cavities. With these results, we will be able to analyze this frequency shift in fountain and future space clocks.

Quantum field between moving mirrors: A three dimensional example

NASA Technical Reports Server (NTRS)

Hacyan, S.; Jauregui, Roco; Villarreal, Carlos

1995-01-01

The scalar quantum field uniformly moving plates in three dimensional space is studied. Field equations for Dirichlet boundary conditions are solved exactly. Comparison of the resulting wavefunctions with their instantaneous static counterpart is performed via Bogolubov coefficients. Unlike the one dimensional problem, 'particle' creation as well as squeezing may occur. The time dependent Casimir energy is also evaluated.

A 2-D/1-D transverse leakage approximation based on azimuthal, Fourier moments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stimpson, Shane G.; Collins, Benjamin S.; Downar, Thomas

Here, the MPACT code being developed collaboratively by Oak Ridge National Laboratory and the University of Michigan is the primary deterministic neutron transport solver within the Virtual Environment for Reactor Applications Core Simulator (VERA-CS). In MPACT, the two-dimensional (2-D)/one-dimensional (1-D) scheme is the most commonly used method for solving neutron transport-based three-dimensional nuclear reactor core physics problems. Several axial solvers in this scheme assume isotropic transverse leakages, but work with the axial S N solver has extended these leakages to include both polar and azimuthal dependence. However, explicit angular representation can be burdensome for run-time and memory requirements. The workmore » here alleviates this burden by assuming that the azimuthal dependence of the angular flux and transverse leakages are represented by a Fourier series expansion. At the heart of this is a new axial SN solver that takes in a Fourier expanded radial transverse leakage and generates the angular fluxes used to construct the axial transverse leakages used in the 2-D-Method of Characteristics calculations.« less

A 2-D/1-D transverse leakage approximation based on azimuthal, Fourier moments

DOE PAGES

Stimpson, Shane G.; Collins, Benjamin S.; Downar, Thomas

2017-01-12

Here, the MPACT code being developed collaboratively by Oak Ridge National Laboratory and the University of Michigan is the primary deterministic neutron transport solver within the Virtual Environment for Reactor Applications Core Simulator (VERA-CS). In MPACT, the two-dimensional (2-D)/one-dimensional (1-D) scheme is the most commonly used method for solving neutron transport-based three-dimensional nuclear reactor core physics problems. Several axial solvers in this scheme assume isotropic transverse leakages, but work with the axial S N solver has extended these leakages to include both polar and azimuthal dependence. However, explicit angular representation can be burdensome for run-time and memory requirements. The workmore » here alleviates this burden by assuming that the azimuthal dependence of the angular flux and transverse leakages are represented by a Fourier series expansion. At the heart of this is a new axial SN solver that takes in a Fourier expanded radial transverse leakage and generates the angular fluxes used to construct the axial transverse leakages used in the 2-D-Method of Characteristics calculations.« less

3-D thermal analysis using finite difference technique with finite element model for improved design of components of rocket engine turbomachines for Space Shuttle Main Engine SSME

NASA Technical Reports Server (NTRS)

Sohn, Kiho D.; Ip, Shek-Se P.

1988-01-01

Three-dimensional finite element models were generated and transferred into three-dimensional finite difference models to perform transient thermal analyses for the SSME high pressure fuel turbopump's first stage nozzles and rotor blades. STANCOOL was chosen to calculate the heat transfer characteristics (HTCs) around the airfoils, and endwall effects were included at the intersections of the airfoils and platforms for the steady-state boundary conditions. Free and forced convection due to rotation effects were also considered in hollow cores. Transient HTCs were calculated by taking ratios of the steady-state values based on the flow rates and fluid properties calculated at each time slice. Results are presented for both transient plots and three-dimensional color contour isotherm plots; they were also converted into universal files to be used for FEM stress analyses.

On non-autonomous dynamical systems

NASA Astrophysics Data System (ADS)

Anzaldo-Meneses, A.

2015-04-01

In usual realistic classical dynamical systems, the Hamiltonian depends explicitly on time. In this work, a class of classical systems with time dependent nonlinear Hamiltonians is analyzed. This type of problems allows to find invariants by a family of Veronese maps. The motivation to develop this method results from the observation that the Poisson-Lie algebra of monomials in the coordinates and momenta is clearly defined in terms of its brackets and leads naturally to an infinite linear set of differential equations, under certain circumstances. To perform explicit analytic and numerical calculations, two examples are presented to estimate the trajectories, the first given by a nonlinear problem and the second by a quadratic Hamiltonian with three time dependent parameters. In the nonlinear problem, the Veronese approach using jets is shown to be equivalent to a direct procedure using elliptic functions identities, and linear invariants are constructed. For the second example, linear and quadratic invariants as well as stability conditions are given. Explicit solutions are also obtained for stepwise constant forces. For the quadratic Hamiltonian, an appropriated set of coordinates relates the geometric setting to that of the three dimensional manifold of central conic sections. It is shown further that the quantum mechanical problem of scattering in a superlattice leads to mathematically equivalent equations for the wave function, if the classical time is replaced by the space coordinate along a superlattice. The mathematical method used to compute the trajectories for stepwise constant parameters can be applied to both problems. It is the standard method in quantum scattering calculations, as known for locally periodic systems including a space dependent effective mass.

Calculation of three-dimensional compressible laminar and turbulent boundary layers. Calculation of three-dimensional compressible boundary layers on arbitrary wings

NASA Technical Reports Server (NTRS)

Cebeci, T.; Kaups, K.; Ramsey, J.; Moser, A.

1975-01-01

A very general method for calculating compressible three-dimensional laminar and turbulent boundary layers on arbitrary wings is described. The method utilizes a nonorthogonal coordinate system for the boundary-layer calculations and includes a geometry package that represents the wing analytically. In the calculations all the geometric parameters of the coordinate system are accounted for. The Reynolds shear-stress terms are modeled by an eddy-viscosity formulation developed by Cebeci. The governing equations are solved by a very efficient two-point finite-difference method used earlier by Keller and Cebeci for two-dimensional flows and later by Cebeci for three-dimensional flows.

A time dependent difference theory for sound propagation in ducts with flow. [characteristic of inlet and exhaust ducts of turbofan engines

NASA Technical Reports Server (NTRS)

Baumeister, K. J.

1979-01-01

A time dependent numerical solution of the linearized continuity and momentum equation was developed for sound propagation in a two dimensional straight hard or soft wall duct with a sheared mean flow. The time dependent governing acoustic difference equations and boundary conditions were developed along with a numerical determination of the maximum stable time increments. A harmonic noise source radiating into a quiescent duct was analyzed. This explicit iteration method then calculated stepwise in real time to obtain the transient as well as the steady state solution of the acoustic field. Example calculations were presented for sound propagation in hard and soft wall ducts, with no flow and plug flow. Although the problem with sheared flow was formulated and programmed, sample calculations were not examined. The time dependent finite difference analysis was found to be superior to the steady state finite difference and finite element techniques because of shorter solution times and the elimination of large matrix storage requirements.

Three-dimensional unsteady flow calculations in an advanced gas generator turbine

NASA Technical Reports Server (NTRS)

Rangwalla, Akil A.

1993-01-01

This paper deals with the application of a three-dimensional, unsteady Navier-Stokes code for predicting the unsteady flow in a single stage of an advanced gas generator turbine. The numerical method solves the three-dimensional thin-layer Navier-Stokes equations, using a system of overlaid grids, which allow for relative motion between the rotor and stator airfoils. Results in the form of time averaged pressures and pressure amplitudes on the airfoil surfaces will be shown. In addition, instantaneous contours of pressure, Mach number, etc. will be presented in order to provide a greater understanding of the inviscid as well as the viscous aspects of the flowfield. Also, relevant secondary flow features such as cross-plane velocity vectors and total pressure contours will be presented. Prior work in two-dimensions has indicated that for the advanced designs, the unsteady interactions can play a significant role in turbine performance. These interactions affect not only the stage efficiency but can substantially alter the time-averaged features of the flow. This work is a natural extension of the work done in two-dimensions and hopes to address some of the issues raised by the two-dimensional calculations. These calculations are being performed as an integral part of an actual design process and demonstrate the value of unsteady rotor-stator interaction calculations in the design of turbomachines.

Ab initio modeling of steady-state and time-dependent charge transport in hole-only α-NPD devices

NASA Astrophysics Data System (ADS)

Liu, Feilong; Massé, Andrea; Friederich, Pascal; Symalla, Franz; Nitsche, Robert; Wenzel, Wolfgang; Coehoorn, Reinder; Bobbert, Peter A.

2016-12-01

We present an ab initio modeling study of steady-state and time-dependent charge transport in hole-only devices of the amorphous molecular semiconductor α-NPD [N ,N'-Di(1 -naphthyl)-N ,N'-diphenyl-(1 ,1'-biphenyl)-4 ,4'-diamine] . The study is based on the microscopic information obtained from atomistic simulations of the morphology and density functional theory calculations of the molecular hole energies, reorganization energies, and transfer integrals. Using stochastic approaches, the microscopic information obtained in simulation boxes at a length scale of ˜10 nm is expanded and employed in one-dimensional (1D) and three-dimensional (3D) master-equation modeling of the charge transport at the device scale of ˜100 nm. Without any fit parameter, predicted current density-voltage and impedance spectroscopy data obtained with the 3D modeling are in very good agreement with measured data on devices with different α-NPD layer thicknesses in a wide range of temperatures, bias voltages, and frequencies. Similarly good results are obtained with the computationally much more efficient 1D modeling after optimizing a hopping prefactor.

Steady-state and quench-dependent relaxation of a quantum dot coupled to one-dimensional leads

NASA Astrophysics Data System (ADS)

Nuss, Martin; Ganahl, Martin; Evertz, Hans Gerd; Arrigoni, Enrico; von der Linden, Wolfgang

2013-07-01

We study the time evolution and steady state of the charge current in a single-impurity Anderson model, using matrix product states techniques. A nonequilibrium situation is imposed by applying a bias voltage across one-dimensional tight-binding leads. Focusing on particle-hole symmetry, we extract current-voltage characteristics from universal low-bias up to high-bias regimes, where band effects start to play a dominant role. We discuss three quenches, which after strongly quench-dependent transients yield the same steady-state current. Among these quenches we identify those favorable for extracting steady-state observables. The period of short-time oscillations is shown to compare well to real-time renormalization group results for a simpler model of spinless fermions. We find indications that many-body effects play an important role at high-bias voltage and finite bandwidth of the metallic leads. The growth of entanglement entropy after a certain time scale ∝Δ-1 is the major limiting factor for calculating the time evolution. We show that the magnitude of the steady-state current positively correlates with entanglement entropy. The role of high-energy states for the steady-state current is explored by considering a damping term in the time evolution.

Three-Dimensional Geometry of Collagenous Tissues by Second Harmonic Polarimetry.

PubMed

Reiser, Karen; Stoller, Patrick; Knoesen, André

2017-06-01

Collagen is a biological macromolecule capable of second harmonic generation, allowing label-free detection in tissues; in addition, molecular orientation can be determined from the polarization dependence of the second harmonic signal. Previously we reported that in-plane orientation of collagen fibrils could be determined by modulating the polarization angle of the laser during scanning. We have now extended this method so that out-of-plane orientation angles can be determined at the same time, allowing visualization of the 3-dimensional structure of collagenous tissues. This approach offers advantages compared with other methods for determining out-of-plane orientation. First, the orientation angles are directly calculated from the polarimetry data obtained in a single scan, while other reported methods require data from multiple scans, use of iterative optimization methods, application of fitting algorithms, or extensive post-optical processing. Second, our method does not require highly specialized instrumentation, and thus can be adapted for use in almost any nonlinear optical microscopy setup. It is suitable for both basic and clinical applications. We present three-dimensional images of structurally complex collagenous tissues that illustrate the power of such 3-dimensional analyses to reveal the architecture of biological structures.

Three-Dimensional Geometry of Collagenous Tissues by Second Harmonic Polarimetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reiser, Karen; Stoller, Patrick; Knoesen, André

Collagen is a biological macromolecule capable of second harmonic generation, allowing label-free detection in tissues; in addition, molecular orientation can be determined from the polarization dependence of the second harmonic signal. Previously we reported that in-plane orientation of collagen fibrils could be determined by modulating the polarization angle of the laser during scanning. We have now extended this method so that out-of-plane orientation angles can be determined at the same time, allowing visualization of the 3-dimensional structure of collagenous tissues. This approach offers advantages compared with other methods for determining out-of-plane orientation. First, the orientation angles are directly calculated frommore » the polarimetry data obtained in a single scan, while other reported methods require data from multiple scans, use of iterative optimization methods, application of fitting algorithms, or extensive post-optical processing. Second, our method does not require highly specialized instrumentation, and thus can be adapted for use in almost any nonlinear optical microscopy setup. It is suitable for both basic and clinical applications. We present three-dimensional images of structurally complex collagenous tissues that illustrate the power of such 3-dimensional analyses to reveal the architecture of biological structures.« less

Three-Dimensional Geometry of Collagenous Tissues by Second Harmonic Polarimetry

DOE PAGES

Reiser, Karen; Stoller, Patrick; Knoesen, André

2017-06-01

Collagen is a biological macromolecule capable of second harmonic generation, allowing label-free detection in tissues; in addition, molecular orientation can be determined from the polarization dependence of the second harmonic signal. Previously we reported that in-plane orientation of collagen fibrils could be determined by modulating the polarization angle of the laser during scanning. We have now extended this method so that out-of-plane orientation angles can be determined at the same time, allowing visualization of the 3-dimensional structure of collagenous tissues. This approach offers advantages compared with other methods for determining out-of-plane orientation. First, the orientation angles are directly calculated frommore » the polarimetry data obtained in a single scan, while other reported methods require data from multiple scans, use of iterative optimization methods, application of fitting algorithms, or extensive post-optical processing. Second, our method does not require highly specialized instrumentation, and thus can be adapted for use in almost any nonlinear optical microscopy setup. It is suitable for both basic and clinical applications. We present three-dimensional images of structurally complex collagenous tissues that illustrate the power of such 3-dimensional analyses to reveal the architecture of biological structures.« less

Equation of state of the one- and three-dimensional Bose-Bose gases

NASA Astrophysics Data System (ADS)

Chiquillo, Emerson

2018-06-01

We calculate the equation of state of Bose-Bose gases in one and three dimensions in the framework of an effective quantum field theory. The beyond-mean-field approximation at zero temperature and the one-loop finite-temperature results are obtained performing functional integration on a local effective action. The ultraviolet divergent zero-point quantum fluctuations are removed by means of dimensional regularization. We derive the nonlinear Schrödinger equation to describe one- and three-dimensional Bose-Bose mixtures and solve it analytically in the one-dimensional scenario. This equation supports self-trapped brightlike solitonic droplets and self-trapped darklike solitons. At low temperature, we also find that the pressure and the number of particles of symmetric quantum droplets have a nontrivial dependence on the chemical potential and the difference between the intra- and the interspecies coupling constants.

Equivalence of the equilibrium and the nonequilibrium molecular dynamics methods for thermal conductivity calculations: From bulk to nanowire silicon

NASA Astrophysics Data System (ADS)

Dong, Haikuan; Fan, Zheyong; Shi, Libin; Harju, Ari; Ala-Nissila, Tapio

2018-03-01

Molecular dynamics (MD) simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo formula in equilibrium MD (EMD) simulations or using Fourier's law in nonequilibrium MD (NEMD) simulations. These two methods have not been systematically compared for materials with different dimensions and inconsistencies between them have been occasionally reported in the literature. Here we give an in-depth comparison of them in terms of heat transport in three allotropes of Si: three-dimensional bulk silicon, two-dimensional silicene, and quasi-one-dimensional silicon nanowire. By multiplying the correlation time in the Green-Kubo formula with an appropriate effective group velocity, we can express the running thermal conductivity in the EMD method as a function of an effective length and directly compare it to the length-dependent thermal conductivity in the NEMD method. We find that the two methods quantitatively agree with each other for all the systems studied, firmly establishing their equivalence in computing thermal conductivity.

Steady-State Computation of Constant Rotational Rate Dynamic Stability Derivatives

NASA Technical Reports Server (NTRS)

Park, Michael A.; Green, Lawrence L.

2000-01-01

Dynamic stability derivatives are essential to predicting the open and closed loop performance, stability, and controllability of aircraft. Computational determination of constant-rate dynamic stability derivatives (derivatives of aircraft forces and moments with respect to constant rotational rates) is currently performed indirectly with finite differencing of multiple time-accurate computational fluid dynamics solutions. Typical time-accurate solutions require excessive amounts of computational time to complete. Formulating Navier-Stokes (N-S) equations in a rotating noninertial reference frame and applying an automatic differentiation tool to the modified code has the potential for directly computing these derivatives with a single, much faster steady-state calculation. The ability to rapidly determine static and dynamic stability derivatives by computational methods can benefit multidisciplinary design methodologies and reduce dependency on wind tunnel measurements. The CFL3D thin-layer N-S computational fluid dynamics code was modified for this study to allow calculations on complex three-dimensional configurations with constant rotation rate components in all three axes. These CFL3D modifications also have direct application to rotorcraft and turbomachinery analyses. The modified CFL3D steady-state calculation is a new capability that showed excellent agreement with results calculated by a similar formulation. The application of automatic differentiation to CFL3D allows the static stability and body-axis rate derivatives to be calculated quickly and exactly.

Time-Accurate Numerical Simulations of Synthetic Jet Quiescent Air

NASA Technical Reports Server (NTRS)

Rupesh, K-A. B.; Ravi, B. R.; Mittal, R.; Raju, R.; Gallas, Q.; Cattafesta, L.

2007-01-01

The unsteady evolution of three-dimensional synthetic jet into quiescent air is studied by time-accurate numerical simulations using a second-order accurate mixed explicit-implicit fractional step scheme on Cartesian grids. Both two-dimensional and three-dimensional calculations of synthetic jet are carried out at a Reynolds number (based on average velocity during the discharge phase of the cycle V(sub j), and jet width d) of 750 and Stokes number of 17.02. The results obtained are assessed against PIV and hotwire measurements provided for the NASA LaRC workshop on CFD validation of synthetic jets.

Vorticity vector-potential method based on time-dependent curvilinear coordinates for two-dimensional rotating flows in closed configurations

NASA Astrophysics Data System (ADS)

Fu, Yuan; Zhang, Da-peng; Xie, Xi-lin

2018-04-01

In this study, a vorticity vector-potential method for two-dimensional viscous incompressible rotating driven flows is developed in the time-dependent curvilinear coordinates. The method is applicable in both inertial and non-inertial frames of reference with the advantage of a fixed and regular calculation domain. The numerical method is applied to triangle and curved triangle configurations in constant and varying rotational angular velocity cases respectively. The evolutions of flow field are studied. The geostrophic effect, unsteady effect and curvature effect on the evolutions are discussed.

Vorticity vector-potential method based on time-dependent curvilinear coordinates for two-dimensional rotating flows in closed configurations

NASA Astrophysics Data System (ADS)

Fu, Yuan; Zhang, Da-peng; Xie, Xi-lin

2018-03-01

In this study, a vorticity vector-potential method for two-dimensional viscous incompressible rotating driven flows is developed in the time-dependent curvilinear coordinates. The method is applicable in both inertial and non-inertial frames of reference with the advantage of a fixed and regular calculation domain. The numerical method is applied to triangle and curved triangle configurations in constant and varying rotational angular velocity cases respectively. The evolutions of flow field are studied. The geostrophic effect, unsteady effect and curvature effect on the evolutions are discussed.

Three-dimensional finite element modelling of muscle forces during mastication.

PubMed

Röhrle, Oliver; Pullan, Andrew J

2007-01-01

This paper presents a three-dimensional finite element model of human mastication. Specifically, an anatomically realistic model of the masseter muscles and associated bones is used to investigate the dynamics of chewing. A motion capture system is used to track the jaw motion of a subject chewing standard foods. The three-dimensional nonlinear deformation of the masseter muscles are calculated via the finite element method, using the jaw motion data as boundary conditions. Motion-driven muscle activation patterns and a transversely isotropic material law, defined in a muscle-fibre coordinate system, are used in the calculations. Time-force relationships are presented and analysed with respect to different tasks during mastication, e.g. opening, closing, and biting, and are also compared to a more traditional one-dimensional model. The results strongly suggest that, due to the complex arrangement of muscle force directions, modelling skeletal muscles as conventional one-dimensional lines of action might introduce a significant source of error.

Fluid-fluid interfacial mobility from random walks

NASA Astrophysics Data System (ADS)

Barclay, Paul L.; Lukes, Jennifer R.

2017-12-01

Dual control volume grand canonical molecular dynamics is used to perform the first calculation of fluid-fluid interfacial mobilities. The mobility is calculated from one-dimensional random walks of the interface by relating the diffusion coefficient to the interfacial mobility. Three different calculation methods are employed: one using the interfacial position variance as a function of time, one using the mean-squared interfacial displacement, and one using the time-autocorrelation of the interfacial velocity. The mobility is calculated for two liquid-liquid interfaces and one liquid-vapor interface to examine the robustness of the methods. Excellent agreement between the three calculation methods is shown for all the three interfaces, indicating that any of them could be used to calculate the interfacial mobility.

Temperature dependences of the time of electron-electron interactions in two-dimensional heterojunction

NASA Astrophysics Data System (ADS)

Bukhenskyy, K. V.; Dubois, A. B.; Kucheryavyy, S. I.; Mashnina, S. N.; Safoshkin, A. S.; Baukov, A. A.; Shchigorev, E. Yu

2017-12-01

The article discusses the joint solution of the Schrödinger and Poisson equations for two-dimensional semiconductor heterojunction. The application of a triangular potential of well approximation for the calculation of the electron-electron interaction is offered in the paper. The influence of the parameters of the selected approximation was analyzed.

Flow studies in canine artery bifurcations using a numerical simulation method.

PubMed

Xu, X Y; Collins, M W; Jones, C J

1992-11-01

Three-dimensional flows through canine femoral bifurcation models were predicted under physiological flow conditions by solving numerically the time-dependent three-dimensional Navier-stokes equations. In the calculations, two models were assumed for the blood, those of (a) a Newtonian fluid, and (b) a non-Newtonian fluid obeying the power law. The blood vessel wall was assumed to be rigid this being the only approximation to the prediction model. The numerical procedure utilized a finite volume approach on a finite element mesh to discretize the equations, and the code used (ASTEC) incorporated the SIMPLE velocity-pressure algorithm in performing the calculations. The predicted velocity profiles were in good qualitative agreement with the in vivo measurements recently obtained by Jones et al. The non-Newtonian effects on the bifurcation flow field were also investigated, and no great differences in velocity profiles were observed. This indicated that the non-Newtonian characteristics of the blood might not be an important factor in determining the general flow patterns for these bifurcations, but could have local significance. Current work involves modeling wall distensibility in an empirically valid manner. Predictions accommodating these will permit a true quantitative comparison with experiment.

A new system for measuring three-dimensional back shape in scoliosis

PubMed Central

Pynsent, Paul; Fairbank, Jeremy; Disney, Simon

2008-01-01

The aim of this work was to develop a low-cost automated system to measure the three-dimensional shape of the back in patients with scoliosis. The resulting system uses structured light to illuminate a patient’s back from an angle while a digital photograph is taken. The height of the surface is calculated using Fourier transform profilometry with an accuracy of ±1 mm. The surface is related to body axes using bony landmarks on the back that have been palpated and marked with small coloured stickers prior to photographing. Clinical parameters are calculated automatically and presented to the user on a monitor and as a printed report. All data are stored in a database. The database can be interrogated and successive measurements plotted for monitoring the deformity changes. The system developed uses inexpensive hardware and open source software. Accurate surface topography can help the clinician to measure spinal deformity at baseline and monitor changes over time. It can help the patients and their families to assess deformity. Above all it reduces the dependence on serial radiography and reduces radiation exposure when monitoring spinal deformity. PMID:18247064

Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface

NASA Astrophysics Data System (ADS)

Liu, Tianhui; Fu, Bina; Zhang, Dong H.

2014-04-01

We carried out six-dimensional quantum dynamics calculations for the dissociative adsorption of deuterium chloride (DCl) on Au(111) surface using the initial state-selected time-dependent wave packet approach. The four-dimensional dissociation probabilities are also obtained with the center of mass of DCl fixed at various sites. These calculations were all performed based on an accurate potential energy surface recently constructed by neural network fitting to density function theory energy points. The origin of the extremely small dissociation probability for DCl/HCl (v = 0, j = 0) fixed at the top site compared to other fixed sites is elucidated in this study. The influence of vibrational excitation and rotational orientation of DCl on the reactivity was investigated by calculating six-dimensional dissociation probabilities. The vibrational excitation of DCl enhances the reactivity substantially and the helicopter orientation yields higher dissociation probability than the cartwheel orientation. The site-averaged dissociation probability over 25 fixed sites obtained from four-dimensional quantum dynamics calculations can accurately reproduce the six-dimensional dissociation probability.

Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Tianhui; Fu, Bina, E-mail: bina@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn; Zhang, Dong H., E-mail: bina@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn

We carried out six-dimensional quantum dynamics calculations for the dissociative adsorption of deuterium chloride (DCl) on Au(111) surface using the initial state-selected time-dependent wave packet approach. The four-dimensional dissociation probabilities are also obtained with the center of mass of DCl fixed at various sites. These calculations were all performed based on an accurate potential energy surface recently constructed by neural network fitting to density function theory energy points. The origin of the extremely small dissociation probability for DCl/HCl (v = 0, j = 0) fixed at the top site compared to other fixed sites is elucidated in this study. The influence of vibrational excitationmore » and rotational orientation of DCl on the reactivity was investigated by calculating six-dimensional dissociation probabilities. The vibrational excitation of DCl enhances the reactivity substantially and the helicopter orientation yields higher dissociation probability than the cartwheel orientation. The site-averaged dissociation probability over 25 fixed sites obtained from four-dimensional quantum dynamics calculations can accurately reproduce the six-dimensional dissociation probability.« less

Experiences with explicit finite-difference schemes for complex fluid dynamics problems on STAR-100 and CYBER-203 computers

NASA Technical Reports Server (NTRS)

Kumar, A.; Rudy, D. H.; Drummond, J. P.; Harris, J. E.

1982-01-01

Several two- and three-dimensional external and internal flow problems solved on the STAR-100 and CYBER-203 vector processing computers are described. The flow field was described by the full Navier-Stokes equations which were then solved by explicit finite-difference algorithms. Problem results and computer system requirements are presented. Program organization and data base structure for three-dimensional computer codes which will eliminate or improve on page faulting, are discussed. Storage requirements for three-dimensional codes are reduced by calculating transformation metric data in each step. As a result, in-core grid points were increased in number by 50% to 150,000, with a 10% execution time increase. An assessment of current and future machine requirements shows that even on the CYBER-205 computer only a few problems can be solved realistically. Estimates reveal that the present situation is more storage limited than compute rate limited, but advancements in both storage and speed are essential to realistically calculate three-dimensional flow.

Fundamental differences between glassy dynamics in two and three dimensions.

PubMed

Flenner, Elijah; Szamel, Grzegorz

2015-06-12

The two-dimensional freezing transition is very different from its three-dimensional counterpart. In contrast, the glass transition is usually assumed to have similar characteristics in two and three dimensions. Using computer simulations, here we show that glassy dynamics in supercooled two- and three-dimensional fluids are fundamentally different. Specifically, transient localization of particles on approaching the glass transition is absent in two dimensions, whereas it is very pronounced in three dimensions. Moreover, the temperature dependence of the relaxation time of orientational correlations is decoupled from that of the translational relaxation time in two dimensions but not in three dimensions. Last, the relationships between the characteristic size of dynamically heterogeneous regions and the relaxation time are very different in two and three dimensions. These results strongly suggest that the glass transition in two dimensions is different than in three dimensions.

Close range fault tolerant noncontacting position sensor

DOEpatents

Bingham, D.N.; Anderson, A.A.

1996-02-20

A method and system are disclosed for locating the three dimensional coordinates of a moving or stationary object in real time. The three dimensional coordinates of an object in half space or full space are determined based upon the time of arrival or phase of the wave front measured by a plurality of receiver elements and an established vector magnitudes proportional to the measured time of arrival or phase at each receiver element. The coordinates of the object are calculated by solving a matrix equation or a set of closed form algebraic equations. 3 figs.

Ray-tracing in three dimensions for calculation of radiation-dose calculations. Master's thesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kennedy, D.R.

1986-05-27

This thesis addresses several methods of calculating the radiation-dose distribution for use by technicians or clinicians in radiation-therapy treatment planning. It specifically covers the calculation of the effective pathlength of the radiation beam for use in beam models representing the dose distribution. A two-dimensional method by Bentley and Milan is compared to the method of Strip Trees developed by Duda and Hart and then a three-dimensional algorithm built to perform the calculations in three dimensions. The use of PRISMS conforms easily to the obtained CT Scans and provides a means of only doing two-dimensional ray-tracing while performing three-dimensional dose calculations.more » This method is already being applied and used in actual calculations.« less

Time-dependent analysis of the mixed-field orientation of molecules without rotational symmetry

NASA Astrophysics Data System (ADS)

Thesing, Linda V.; Küpper, Jochen; González-Férez, Rosario

2017-06-01

We present a theoretical study of the mixed-field orientation of molecules without rotational symmetry. The time-dependent one-dimensional and three-dimensional orientation of a thermal ensemble of 6-chloropyridazine-3-carbonitrile molecules in combined linearly or elliptically polarized laser fields and tilted dc electric fields is computed. The results are in good agreement with recent experimental results of one-dimensional orientation for weak dc electric fields [J. L. Hansen, J. Chem. Phys. 139, 234313 (2013)]. Moreover, they predict that using elliptically polarized laser fields or strong dc fields, three-dimensional orientation is obtained. The field-dressed dynamics of excited rotational states is characterized by highly non-adiabatic effects. We analyze the sources of these non-adiabatic effects and investigate their impact on the mixed-field orientation for different field configurations in mixed-field-orientation experiments.

Tensor of effective susceptibility in random magnetic composites: Application to two-dimensional and three-dimensional cases

NASA Astrophysics Data System (ADS)

Posnansky, Oleg P.

2018-05-01

The measuring of dynamic magnetic susceptibility by nuclear magnetic resonance is used for revealing information about the internal structure of various magnetoactive composites. The response of such material on the applied external static and time-varying magnetic fields encodes intrinsic dynamic correlations and depends on links between macroscopic effective susceptibility and structure on the microscopic scale. In the current work we carried out computational analysis of the frequency dependent dynamic magnetic susceptibility and demonstrated its dependence on the microscopic architectural elements while also considering Euclidean dimensionality. The proposed numerical method is efficient in the simulation of nuclear magnetic resonance experiments in two- and three-dimensional random magnetic media by choosing and modeling the influence of the concentration of components and internal hierarchical characteristics of physical parameters.

Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface

NASA Astrophysics Data System (ADS)

Liu, Tianhui; Fu, Bina; Zhang, Dong H.

2013-11-01

The six-dimensional quantum dynamics calculations for the dissociative chemisorption of HCl on Au(111) are carried out using the time-dependent wave-packet approach, based on an accurate PES which was recently developed by neural network fitting to density functional theory energy points. The influence of vibrational excitation and rotational orientation of HCl on the reactivity is investigated by calculating the exact six-dimensional dissociation probabilities, as well as the four-dimensional fixed-site dissociation probabilities. The vibrational excitation of HCl enhances the reactivity and the helicopter orientation yields higher dissociation probability than the cartwheel orientation. A new interesting site-averaged effect is found for the title molecule-surface system that one can essentially reproduce the six-dimensional dissociation probability by averaging the four-dimensional dissociation probabilities over 25 fixed sites.

Rotordynamic coefficients for labyrinth seals calculated by means of a finite difference technique

NASA Technical Reports Server (NTRS)

Nordmann, R.; Weiser, P.

1989-01-01

The compressible, turbulent, time dependent and three dimensional flow in a labyrinth seal can be described by the Navier-Stokes equations in conjunction with a turbulence model. Additionally, equations for mass and energy conservation and an equation of state are required. To solve these equations, a perturbation analysis is performed yielding zeroth order equations for centric shaft position and first order equations describing the flow field for small motions around the seal center. For numerical solution a finite difference method is applied to the zeroth and first order equations resulting in leakage and dynamic seal coefficients respectively.

Three-disk microswimmer in a supported fluid membrane

NASA Astrophysics Data System (ADS)

Ota, Yui; Hosaka, Yuto; Yasuda, Kento; Komura, Shigeyuki

2018-05-01

A model of three-disk micromachine swimming in a quasi-two-dimensional supported membrane is proposed. We calculate the average swimming velocity as a function of the disk size and the arm length. Due to the presence of the hydrodynamic screening length in the quasi-two-dimensional fluid, the geometric factor appearing in the average velocity exhibits three different asymptotic behaviors depending on the microswimmer size and the hydrodynamic screening length. This is in sharp contrast with a microswimmer in a three-dimensional bulk fluid that shows only a single scaling behavior. We also find that the maximum velocity is obtained when the disks are equal-sized, whereas it is minimized when the average arm lengths are identical. The intrinsic drag of the disks on the substrate does not alter the scaling behaviors of the geometric factor.

Substrate Dependence in the Growth of Three-Dimensional Gold Nanoparticle Superlattices

DTIC Science & Technology

2001-11-01

the Hamaker constants between gold nanoparticle assemblies and substrates through the suspension. Van der Waals interactions estimated from this...finally dialyzed to remove inorganic (Na, Cl, and B) and organic impurities. The surfactant affects the dispersion of Au nanoparticles in aqueous...be taken into account for complete understanding of the observed substrate dependency. To consider volume interactions, we calculate the Hamaker

Photon-momentum transfer in molecular photoionization

NASA Astrophysics Data System (ADS)

Chelkowski, Szczepan; Bandrauk, André D.

2018-05-01

In most models and theoretical calculations describing multiphoton ionization by infrared light, the dipole approximation is used. This is equivalent to setting the very small photon momentum to zero. Using numerical solutions of the (nondipole) three-dimensional time-dependent Schrödinger equation for one electron in a H2+ molecular ion we investigate the effect the photon-momentum transfer to the photoelectron in an H2+ ion in various regimes. We find that the photon-momentum transfer in a molecule is very different from the transfer in atoms due to two-center interference effects. The photon-momentum transfer is very sensitive to the symmetry of the initial electronic state and is strongly dependent on the internuclear distance and on the ellipticity of the laser.

Time-dependent density-functional theory with optimized effective potential and self-interaction correction and derivative discontinuity for the treatment of double ionization of He and Be atoms in intense laser fields

NASA Astrophysics Data System (ADS)

Heslar, John; Telnov, Dmitry A.; Chu, Shih-I.

2013-05-01

We present a self-interaction-free time-dependent density-functional theory (TDDFT) for the treatment of double-ionization processes of many-electron systems. The method is based on the extension of the Krieger-Li-Iafrate (KLI) treatment of the optimized effective potential (OEP) theory and the incorporation of an explicit self-interaction correction (SIC) term. In the framework of the time-dependent density functional theory, we have performed three-dimensional (3D) calculations of double ionization of He and Be atoms by intense near-infrared laser fields. We make use of the exchange-correlation potential with the integer discontinuity which improves the description of the double-ionization process. We found that a proper description of the double ionization requires the TDDFT exchange-correlation potential with the discontinuity with respect to the variation of the total particle number (TPN). The results for the intensity-dependent rates of double ionization of He and Be atoms are presented.

Accelerating three-dimensional FDTD calculations on GPU clusters for electromagnetic field simulation.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2012-01-01

Electromagnetic simulation with anatomically realistic computational human model using the finite-difference time domain (FDTD) method has recently been performed in a number of fields in biomedical engineering. To improve the method's calculation speed and realize large-scale computing with the computational human model, we adapt three-dimensional FDTD code to a multi-GPU cluster environment with Compute Unified Device Architecture and Message Passing Interface. Our multi-GPU cluster system consists of three nodes. The seven GPU boards (NVIDIA Tesla C2070) are mounted on each node. We examined the performance of the FDTD calculation on multi-GPU cluster environment. We confirmed that the FDTD calculation on the multi-GPU clusters is faster than that on a multi-GPU (a single workstation), and we also found that the GPU cluster system calculate faster than a vector supercomputer. In addition, our GPU cluster system allowed us to perform the large-scale FDTD calculation because were able to use GPU memory of over 100 GB.

Solving time-dependent two-dimensional eddy current problems

NASA Technical Reports Server (NTRS)

Lee, Min Eig; Hariharan, S. I.; Ida, Nathan

1990-01-01

Transient eddy current calculations are presented for an EM wave-scattering and field-penetrating case in which a two-dimensional transverse magnetic field is incident on a good (i.e., not perfect) and infinitely long conductor. The problem thus posed is of initial boundary-value interface type, where the boundary of the conductor constitutes the interface. A potential function is used for time-domain modeling of the situation, and finite difference-time domain techniques are used to march the potential function explicitly in time. Attention is given to the case of LF radiation conditions.

Development of an Aeroelastic Analysis Including a Viscous Flow Model

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Bakhle, Milind A.

2001-01-01

Under this grant, Version 4 of the three-dimensional Navier-Stokes aeroelastic code (TURBO-AE) has been developed and verified. The TURBO-AE Version 4 aeroelastic code allows flutter calculations for a fan, compressor, or turbine blade row. This code models a vibrating three-dimensional bladed disk configuration and the associated unsteady flow (including shocks, and viscous effects) to calculate the aeroelastic instability using a work-per-cycle approach. Phase-lagged (time-shift) periodic boundary conditions are used to model the phase lag between adjacent vibrating blades. The direct-store approach is used for this purpose to reduce the computational domain to a single interblade passage. A disk storage option, implemented using direct access files, is available to reduce the large memory requirements of the direct-store approach. Other researchers have implemented 3D inlet/exit boundary conditions based on eigen-analysis. Appendix A: Aeroelastic calculations based on three-dimensional euler analysis. Appendix B: Unsteady aerodynamic modeling of blade vibration using the turbo-V3.1 code.

Conservative and bounded volume-of-fluid advection on unstructured grids

NASA Astrophysics Data System (ADS)

Ivey, Christopher B.; Moin, Parviz

2017-12-01

This paper presents a novel Eulerian-Lagrangian piecewise-linear interface calculation (PLIC) volume-of-fluid (VOF) advection method, which is three-dimensional, unsplit, and discretely conservative and bounded. The approach is developed with reference to a collocated node-based finite-volume two-phase flow solver that utilizes the median-dual mesh constructed from non-convex polyhedra. The proposed advection algorithm satisfies conservation and boundedness of the liquid volume fraction irrespective of the underlying flux polyhedron geometry, which differs from contemporary unsplit VOF schemes that prescribe topologically complicated flux polyhedron geometries in efforts to satisfy conservation. Instead of prescribing complicated flux-polyhedron geometries, which are prone to topological failures, our VOF advection scheme, the non-intersecting flux polyhedron advection (NIFPA) method, builds the flux polyhedron iteratively such that its intersection with neighboring flux polyhedra, and any other unavailable volume, is empty and its total volume matches the calculated flux volume. During each iteration, a candidate nominal flux polyhedron is extruded using an iteration dependent scalar. The candidate is subsequently intersected with the volume guaranteed available to it at the time of the flux calculation to generate the candidate flux polyhedron. The difference in the volume of the candidate flux polyhedron and the actual flux volume is used to calculate extrusion during the next iteration. The choice in nominal flux polyhedron impacts the cost and accuracy of the scheme; however, it does not impact the methods underlying conservation and boundedness. As such, various robust nominal flux polyhedron are proposed and tested using canonical periodic kinematic test cases: Zalesak's disk and two- and three-dimensional deformation. The tests are conducted on the median duals of a quadrilateral and triangular primal mesh, in two-dimensions, and on the median duals of a hexahedral, wedge and tetrahedral primal mesh, in three-dimensions. Comparisons are made with the adaptation of a conventional unsplit VOF advection scheme to our collocated node-based flow solver. Depending on the choice in the nominal flux polyhedron, the NIFPA scheme presented accuracies ranging from zeroth to second order and calculation times that differed by orders of magnitude. For the nominal flux polyhedra which demonstrate second-order accuracy on all tests and meshes, the NIFPA method's cost was comparable to the traditional topologically complex second-order accurate VOF advection scheme.

FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

NASA Astrophysics Data System (ADS)

Regnier, D.; Dubray, N.; Verrière, M.; Schunck, N.

2018-04-01

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this paper, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different types of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank-Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of 240Pu and 256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. We emphasize that in a realistic calculation of fission mass distributions of 240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).

Fundamental differences between glassy dynamics in two and three dimensions

PubMed Central

Flenner, Elijah; Szamel, Grzegorz

2015-01-01

The two-dimensional freezing transition is very different from its three-dimensional counterpart. In contrast, the glass transition is usually assumed to have similar characteristics in two and three dimensions. Using computer simulations, here we show that glassy dynamics in supercooled two- and three-dimensional fluids are fundamentally different. Specifically, transient localization of particles on approaching the glass transition is absent in two dimensions, whereas it is very pronounced in three dimensions. Moreover, the temperature dependence of the relaxation time of orientational correlations is decoupled from that of the translational relaxation time in two dimensions but not in three dimensions. Last, the relationships between the characteristic size of dynamically heterogeneous regions and the relaxation time are very different in two and three dimensions. These results strongly suggest that the glass transition in two dimensions is different than in three dimensions. PMID:26067877

Effects of curved midline and varying width on the description of the effective diffusivity of Brownian particles

NASA Astrophysics Data System (ADS)

Chávez, Yoshua; Chacón-Acosta, Guillermo; Dagdug, Leonardo

2018-05-01

Axial diffusion in channels and tubes of smoothly-varying geometry can be approximately described as one-dimensional diffusion in the entropy potential with a position-dependent effective diffusion coefficient, by means of the modified Fick–Jacobs equation. In this work, we derive analytical expressions for the position-dependent effective diffusivity for two-dimensional asymmetric varying-width channels, and for three-dimensional curved midline tubes, formed by straight walls. To this end, we use a recently developed theoretical framework using the Frenet–Serret moving frame as the coordinate system (2016 J. Chem. Phys. 145 074105). For narrow tubes and channels, an effective one-dimensional description reducing the diffusion equation to a Fick–Jacobs-like equation in general coordinates is used. From this last equation, one can calculate the effective diffusion coefficient applying Neumann boundary conditions.

LION4; LION; three-dimensional temperature distribution program. [CDC6600,7600; UNIVAC1108; IBM360,370; FORTRAN IV and ASCENT (CDC6600,7600), FORTRAN IV (UNIVAC1108A,B and IBM360,370)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Binney, E.J.

LION4 is a computer program for calculating one-, two-, or three-dimensional transient and steady-state temperature distributions in reactor and reactor plant components. It is used primarily for thermal-structural analyses. It utilizes finite difference techniques with first-order forward difference integration and is capable of handling a wide variety of bounding conditions. Heat transfer situations accommodated include forced and free convection in both reduced and fully-automated temperature dependent forms, coolant flow effects, a limited thermal radiation capability, a stationary or stagnant fluid gap, a dual dependency (temperature difference and temperature level) heat transfer, an alternative heat transfer mode comparison and selection facilitymore » combined with heat flux direction sensor, and any form of time-dependent boundary temperatures. The program, which handles time and space dependent internal heat generation, can also provide temperature dependent material properties with limited non-isotropic properties. User-oriented capabilities available include temperature means with various weightings and a complete heat flow rate surveillance system.CDC6600,7600;UNIVAC1108;IBM360,370; FORTRAN IV and ASCENT (CDC6600,7600), FORTRAN IV (UNIVAC1108A,B and IBM360,370); SCOPE (CDC6600,7600), EXEC8 (UNIVAC1108A,B), OS/360,370 (IBM360,370); The CDC6600 version plotter routine LAPL4 is used to produce the input required by the associated CalComp plotter for graphical output. The IBM360 version requires 350K for execution and one additional input/output unit besides the standard units.« less

Three-dimensional time-dependent computer modeling of the electrothermal atomizers for analytical spectrometry

NASA Astrophysics Data System (ADS)

Tsivilskiy, I. V.; Nagulin, K. Yu.; Gilmutdinov, A. Kh.

2016-02-01

A full three-dimensional nonstationary numerical model of graphite electrothermal atomizers of various types is developed. The model is based on solution of a heat equation within solid walls of the atomizer with a radiative heat transfer and numerical solution of a full set of Navier-Stokes equations with an energy equation for a gas. Governing equations for the behavior of a discrete phase, i.e., atomic particles suspended in a gas (including gas-phase processes of evaporation and condensation), are derived from the formal equations molecular kinetics by numerical solution of the Hertz-Langmuir equation. The following atomizers test the model: a Varian standard heated electrothermal vaporizer (ETV), a Perkin Elmer standard THGA transversely heated graphite tube with integrated platform (THGA), and the original double-stage tube-helix atomizer (DSTHA). The experimental verification of computer calculations is carried out by a method of shadow spectral visualization of the spatial distributions of atomic and molecular vapors in an analytical space of an atomizer.

Fermionic vacuum polarization in a higher-dimensional global monopole spacetime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bezerra de Mello, E. R.

2007-12-15

In this paper we analyze the vacuum polarization effects associated with a massless fermionic field in a higher-dimensional global monopole spacetime in the 'braneworld' scenario. In this context we admit that our Universe, the bulk, is represented by a flat (n-1)-dimensional brane having a global monopole in an extra transverse three-dimensional submanifold. We explicitly calculate the renormalized vacuum average of the energy-momentum tensor, {sub Ren}, admitting the global monopole as being a pointlike object. We observe that this quantity depends crucially on the value of n, and provide explicit expressions to it for specific values attributed to n.

An MHD Simulation of Solar Active Region 11158 Driven with a Time-dependent Electric Field Determined from HMI Vector Magnetic Field Measurement Data

NASA Astrophysics Data System (ADS)

Hayashi, Keiji; Feng, Xueshang; Xiong, Ming; Jiang, Chaowei

2018-03-01

For realistic magnetohydrodynamics (MHD) simulation of the solar active region (AR), two types of capabilities are required. The first is the capability to calculate the bottom-boundary electric field vector, with which the observed magnetic field can be reconstructed through the induction equation. The second is a proper boundary treatment to limit the size of the sub-Alfvénic simulation region. We developed (1) a practical inversion method to yield the solar-surface electric field vector from the temporal evolution of the three components of magnetic field data maps, and (2) a characteristic-based free boundary treatment for the top and side sub-Alfvénic boundary surfaces. We simulate the temporal evolution of AR 11158 over 16 hr for testing, using Solar Dynamics Observatory/Helioseismic Magnetic Imager vector magnetic field observation data and our time-dependent three-dimensional MHD simulation with these two features. Despite several assumptions in calculating the electric field and compromises for mitigating computational difficulties at the very low beta regime, several features of the AR were reasonably retrieved, such as twisting field structures, energy accumulation comparable to an X-class flare, and sudden changes at the time of the X-flare. The present MHD model can be a first step toward more realistic modeling of AR in the future.

Transonic flow analysis for rotors. Part 2: Three-dimensional, unsteady, full-potential calculation

NASA Technical Reports Server (NTRS)

Chang, I. C.

1985-01-01

A numerical method is presented for calculating the three-dimensional unsteady, transonic flow past a helicopter rotor blade of arbitrary geometry. The method solves the full-potential equations in a blade-fixed frame of reference by a time-marching implicit scheme. At the far-field, a set of first-order radiation conditions is imposed, thus minimizing the reflection of outgoing wavelets from computational boundaries. Computed results are presented to highlight radial flow effects in three dimensions, to compare surface pressure distributions to quasi-steady predictions, and to predict the flow field on a swept-tip blade. The results agree well with experimental data for both straight- and swept-tip blade geometries.

A network-analysis-based comparative study of the throughput behavior of polymer melts in barrier screw geometries

NASA Astrophysics Data System (ADS)

Aigner, M.; Köpplmayr, T.; Kneidinger, C.; Miethlinger, J.

2014-05-01

Barrier screws are widely used in the plastics industry. Due to the extreme diversity of their geometries, describing the flow behavior is difficult and rarely done in practice. We present a systematic approach based on networks that uses tensor algebra and numerical methods to model and calculate selected barrier screw geometries in terms of pressure, mass flow, and residence time. In addition, we report the results of three-dimensional simulations using the commercially available ANSYS Polyflow software. The major drawbacks of three-dimensional finite-element-method (FEM) simulations are that they require vast computational power and, large quantities of memory, and consume considerable time to create a geometric model created by computer-aided design (CAD) and complete a flow calculation. Consequently, a modified 2.5-dimensional finite volume method, termed network analysis is preferable. The results obtained by network analysis and FEM simulations correlated well. Network analysis provides an efficient alternative to complex FEM software in terms of computing power and memory consumption. Furthermore, typical barrier screw geometries can be parameterized and used for flow calculations without timeconsuming CAD-constructions.

Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Tianhui; Fu, Bina; Zhang, Dong H., E-mail: zhangdh@dicp.ac.cn

The six-dimensional quantum dynamics calculations for the dissociative chemisorption of HCl on Au(111) are carried out using the time-dependent wave-packet approach, based on an accurate PES which was recently developed by neural network fitting to density functional theory energy points. The influence of vibrational excitation and rotational orientation of HCl on the reactivity is investigated by calculating the exact six-dimensional dissociation probabilities, as well as the four-dimensional fixed-site dissociation probabilities. The vibrational excitation of HCl enhances the reactivity and the helicopter orientation yields higher dissociation probability than the cartwheel orientation. A new interesting site-averaged effect is found for the titlemore » molecule-surface system that one can essentially reproduce the six-dimensional dissociation probability by averaging the four-dimensional dissociation probabilities over 25 fixed sites.« less

Comparison of two- and three-dimensional flow computations with laser anemometer measurements in a transonic compressor rotor

NASA Technical Reports Server (NTRS)

Chima, R. V.; Strazisar, A. J.

1982-01-01

Two and three dimensional inviscid solutions for the flow in a transonic axial compressor rotor at design speed are compared with probe and laser anemometers measurements at near-stall and maximum-flow operating points. Experimental details of the laser anemometer system and computational details of the two dimensional axisymmetric code and three dimensional Euler code are described. Comparisons are made between relative Mach number and flow angle contours, shock location, and shock strength. A procedure for using an efficient axisymmetric code to generate downstream pressure input for computationally expensive Euler codes is discussed. A film supplement shows the calculations of the two operating points with the time-marching Euler code.

TOPAZ2D heat transfer code users manual and thermal property data base

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shapiro, A.B.; Edwards, A.L.

1990-05-01

TOPAZ2D is a two dimensional implicit finite element computer code for heat transfer analysis. This user's manual provides information on the structure of a TOPAZ2D input file. Also included is a material thermal property data base. This manual is supplemented with The TOPAZ2D Theoretical Manual and the TOPAZ2D Verification Manual. TOPAZ2D has been implemented on the CRAY, SUN, and VAX computers. TOPAZ2D can be used to solve for the steady state or transient temperature field on two dimensional planar or axisymmetric geometries. Material properties may be temperature dependent and either isotropic or orthotropic. A variety of time and temperature dependentmore » boundary conditions can be specified including temperature, flux, convection, and radiation. Time or temperature dependent internal heat generation can be defined locally be element or globally by material. TOPAZ2D can solve problems of diffuse and specular band radiation in an enclosure coupled with conduction in material surrounding the enclosure. Additional features include thermally controlled reactive chemical mixtures, thermal contact resistance across an interface, bulk fluid flow, phase change, and energy balances. Thermal stresses can be calculated using the solid mechanics code NIKE2D which reads the temperature state data calculated by TOPAZ2D. A three dimensional version of the code, TOPAZ3D is available. The material thermal property data base, Chapter 4, included in this manual was originally published in 1969 by Art Edwards for use with his TRUMP finite difference heat transfer code. The format of the data has been altered to be compatible with TOPAZ2D. Bob Bailey is responsible for adding the high explosive thermal property data.« less

Time-dependent first-principles study of angle-resolved secondary electron emission from atomic sheets

NASA Astrophysics Data System (ADS)

Ueda, Yoshihiro; Suzuki, Yasumitsu; Watanabe, Kazuyuki

2018-02-01

Angle-resolved secondary electron emission (ARSEE) spectra were analyzed for two-dimensional atomic sheets using a time-dependent first-principles simulation of electron scattering. We demonstrate that the calculated ARSEE spectra capture the unoccupied band structure of the atomic sheets. The excitation dynamics that lead to SEE have also been revealed by the time-dependent Kohn-Sham decomposition scheme. In the present study, the mechanism for the experimentally observed ARSEE from atomic sheets is elucidated with respect to both energetics and the dynamical aspects of SEE.

Time-dependent Hartree-Fock approach to nuclear ``pasta'' at finite temperature

NASA Astrophysics Data System (ADS)

Schuetrumpf, B.; Klatt, M. A.; Iida, K.; Maruhn, J. A.; Mecke, K.; Reinhard, P.-G.

2013-05-01

We present simulations of neutron-rich matter at subnuclear densities, like supernova matter, with the time-dependent Hartree-Fock approximation at temperatures of several MeV. The initial state consists of α particles randomly distributed in space that have a Maxwell-Boltzmann distribution in momentum space. Adding a neutron background initialized with Fermi distributed plane waves the calculations reflect a reasonable approximation of astrophysical matter. This matter evolves into spherical, rod-like, and slab-like shapes and mixtures thereof. The simulations employ a full Skyrme interaction in a periodic three-dimensional grid. By an improved morphological analysis based on Minkowski functionals, all eight pasta shapes can be uniquely identified by the sign of only two valuations, namely the Euler characteristic and the integral mean curvature. In addition, we propose the variance in the cell density distribution as a measure to distinguish pasta matter from uniform matter.

Three-dimensional turbulent boundary layers; Proceedings of the Symposium, Berlin, West Germany, March 29-April 1, 1982

NASA Astrophysics Data System (ADS)

Fernholz, H. H.; Krause, E.

Papers are presented on recent research concerning three-dimensional turbulent boundary layers. Topics examined include experimental techniques in three-dimensional turbulent boundary layers, turbulence measurements in ship-model flow, measurements of Reynolds-stress profiles in the stern region of a ship model, the effects of crossflow on the vortex-layer-type three-dimensional flow separation, and wind tunnel investigations of some three-dimensional separated turbulent boundary layers. Also examined are three-dimensional boundary layers in turbomachines, the boundary layers on bodies of revolution spinning in axial flows, the effect on a developed turbulent boundary layer of a sudden local wall motion, three-dimensional turbulent boundary layer along a concave wall, the numerical computation of three-dimensional boundary layers, a numerical study of corner flows, three-dimensional boundary calculations in design aerodynamics, and turbulent boundary-layer calculations in design aerodynamics. For individual items see A83-47012 to A83-47036

High frequency estimation of 2-dimensional cavity scattering

NASA Astrophysics Data System (ADS)

Dering, R. S.

1984-12-01

This thesis develops a simple ray tracing approximation for the high frequency scattering from a two-dimensional cavity. Whereas many other cavity scattering algorithms are very time consuming, this method is very swift. The analytical development of the ray tracing approach is performed in great detail, and it is shown how the radar cross section (RCS) depends on the cavity's length and width along with the radar wave's angle of incidence. This explains why the cavity's RCS oscillates as a function of incident angle. The RCS of a two dimensional cavity was measured experimentally, and these results were compared to computer calculations based on the high frequency ray tracing theory. The comparison was favorable in the sense that angular RCS minima and maxima were exactly predicted even though accuracy of the RCS magnitude decreased for incident angles far off-axis. Overall, once this method is extended to three dimensions, the technique shows promise as a fast first approximation of high frequency cavity scattering.

Three-Dimensional Ignition and Flame Propagation Above Liquid Fuel Pools: Computational Analysis

NASA Technical Reports Server (NTRS)

Cai, Jinsheng; Sirignano, William A.

2001-01-01

A three-dimensional unsteady reactive Navier-Stokes code is developed to study the ignition and flame spread above liquid fuels initially below the flashpoint temperature. Opposed air flow to the flame spread due to forced and/or natural convection is considered. Pools of finite width and length are studied in air channels of prescribed height and width. Three-dimensional effects of the flame front near the edge of the pool are captured in the computation. The formation of a recirculation zone in the gas phase similar to that found in two-dimensional calculations is also present in the three-dimensional calculations. Both uniform spread and pulsating spread modes are found in the calculated results.

Calculation of continuum damping of Alfvén eigenmodes in tokamak and stellarator equilibria

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bowden, G. W.; Hole, M. J.; Könies, A.

2015-09-15

In an ideal magnetohydrodynamic (MHD) plasma, shear Alfvén eigenmodes may experience dissipationless damping due to resonant interaction with the shear Alfvén continuum. This continuum damping can make a significant contribution to the overall growth/decay rate of shear Alfvén eigenmodes, with consequent implications for fast ion transport. One method for calculating continuum damping is to solve the MHD eigenvalue problem over a suitable contour in the complex plane, thereby satisfying the causality condition. Such an approach can be implemented in three-dimensional ideal MHD codes which use the Galerkin method. Analytic functions can be fitted to numerical data for equilibrium quantities inmore » order to determine the value of these quantities along the complex contour. This approach requires less resolution than the established technique of calculating damping as resistivity vanishes and is thus more computationally efficient. The complex contour method has been applied to the three-dimensional finite element ideal MHD Code for Kinetic Alfvén waves. In this paper, we discuss the application of the complex contour technique to calculate the continuum damping of global modes in tokamak as well as torsatron, W7-X and H-1NF stellarator cases. To the authors' knowledge, these stellarator calculations represent the first calculation of continuum damping for eigenmodes in fully three-dimensional equilibria. The continuum damping of global modes in W7-X and H-1NF stellarator configurations investigated is found to depend sensitively on coupling to numerous poloidal and toroidal harmonics.« less

Time-dependent deformation of titanium metal matrix composites

NASA Technical Reports Server (NTRS)

Bigelow, C. A.; Bahei-El-din, Y. A.; Mirdamadi, M.

1995-01-01

A three-dimensional finite element program called VISCOPAC was developed and used to conduct a micromechanics analysis of titanium metal matrix composites. The VISCOPAC program uses a modified Eisenberg-Yen thermo-viscoplastic constitutive model to predict matrix behavior under thermomechanical fatigue loading. The analysis incorporated temperature-dependent elastic properties in the fiber and temperature-dependent viscoplastic properties in the matrix. The material model was described and the necessary material constants were determined experimentally. Fiber-matrix interfacial behavior was analyzed using a discrete fiber-matrix model. The thermal residual stresses due to the fabrication cycle were predicted with a failed interface, The failed interface resulted in lower thermal residual stresses in the matrix and fiber. Stresses due to a uniform transverse load were calculated at two temperatures, room temperature and an elevated temperature of 650 C. At both temperatures, a large stress concentration was calculated when the interface had failed. The results indicate the importance of accuracy accounting for fiber-matrix interface failure and the need for a micromechanics-based analytical technique to understand and predict the behavior of titanium metal matrix composites.

GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations

NASA Astrophysics Data System (ADS)

Jia, Weile; Wang, Jue; Chi, Xuebin; Wang, Lin-Wang

2017-02-01

LS3DF, namely linear scaling three-dimensional fragment method, is an efficient linear scaling ab initio total energy electronic structure calculation code based on a divide-and-conquer strategy. In this paper, we present our GPU implementation of the LS3DF code. Our test results show that the GPU code can calculate systems with about ten thousand atoms fully self-consistently in the order of 10 min using thousands of computing nodes. This makes the electronic structure calculations of 10,000-atom nanosystems routine work. This speed is 4.5-6 times faster than the CPU calculations using the same number of nodes on the Titan machine in the Oak Ridge leadership computing facility (OLCF). Such speedup is achieved by (a) carefully re-designing of the computationally heavy kernels; (b) redesign of the communication pattern for heterogeneous supercomputers.

A Monte Carlo Simulation of Vesicle Exocytosis in the Buffered Diffusion of Calcium Channel Currents

NASA Astrophysics Data System (ADS)

Dimcovic, Z.; Eagan, T. P.; Brown, R. W.; Petschek, R. G.; Eppell, S. J.; Yunker, A. M. R.; Sharp, A. H.; McEnery, M. W.

2001-04-01

The voltage-dependent opening of calcium channels results in an influx of calcium ions that leads to the fusion of synaptic vesicles with the cell membrane, resulting in the release of neurotransmitters. This allows nerve impulses to be transmitted from one neuron to another. A Monte Carlo model of the three-dimensional diffusion of calcium following a channel opening is employed to estimate the space and time dependence of the calcium density. The effects of fixed and mobile calcium buffers are included, and a tethered nearby vesicle is considered. The importance of the size and location of the vesicle is studied. When the vesicle is ignored, these results are compared with the analytical calculations of Naraghi and Neher and the Monte Carlo calculations of Bennett et al. The finite-vesicle-size analysis offers new insights into the process of neurosecretion. Support: NIH MH55747, AHA 96001250, NSF 0086643, and CWRU Presidential Research Initiative grants.

Validation of a three-dimensional viscous analysis of axisymmetric supersonic inlet flow fields

NASA Technical Reports Server (NTRS)

Benson, T. J.; Anderson, B. H.

1983-01-01

A three-dimensional viscous marching analysis for supersonic inlets was developed. To verify this analysis several benchmark axisymmetric test configurations were studied and are compared to experimental data. Detailed two-dimensional results for shock-boundary layer interactions are presented for flows with and without boundary layer bleed. Three dimensional calculations of a cone at angle of attack and a full inlet at attack are also discussed and evaluated. Results of the calculations demonstrate the code's ability to predict complex flow fields and establish guidelines for future calculations using similar codes.

An implicit solution of the three-dimensional Navier-Stokes equations for an airfoil spanning a wind tunnel. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Moitra, A.

1982-01-01

An implicit finite-difference algorithm is developed for the numerical solution of the incompressible three dimensional Navier-Stokes equations in the non-conservative primitive-variable formulation. The flow field about an airfoil spanning a wind-tunnel is computed. The coordinate system is generated by an extension of the two dimensional body-fitted coordinate generation techniques of Thompson, as well as that of Sorenson, into three dimensions. Two dimensional grids are stacked along a spanwise coordinate defined by a simple analytical function. A Poisson pressure equation for advancing the pressure in time is arrived at by performing a divergence operation on the momentum equations. The pressure at each time-step is calculated on the assumption that continuity be unconditionally satisfied. An eddy viscosity coefficient, computed according to the algebraic turbulence formulation of Baldwin and Lomax, simulates the effects of turbulence.

Precise algorithm to generate random sequential adsorption of hard polygons at saturation

NASA Astrophysics Data System (ADS)

Zhang, G.

2018-04-01

Random sequential adsorption (RSA) is a time-dependent packing process, in which particles of certain shapes are randomly and sequentially placed into an empty space without overlap. In the infinite-time limit, the density approaches a "saturation" limit. Although this limit has attracted particular research interest, the majority of past studies could only probe this limit by extrapolation. We have previously found an algorithm to reach this limit using finite computational time for spherical particles and could thus determine the saturation density of spheres with high accuracy. In this paper, we generalize this algorithm to generate saturated RSA packings of two-dimensional polygons. We also calculate the saturation density for regular polygons of three to ten sides and obtain results that are consistent with previous, extrapolation-based studies.

Precise algorithm to generate random sequential adsorption of hard polygons at saturation.

PubMed

Zhang, G

2018-04-01

Random sequential adsorption (RSA) is a time-dependent packing process, in which particles of certain shapes are randomly and sequentially placed into an empty space without overlap. In the infinite-time limit, the density approaches a "saturation" limit. Although this limit has attracted particular research interest, the majority of past studies could only probe this limit by extrapolation. We have previously found an algorithm to reach this limit using finite computational time for spherical particles and could thus determine the saturation density of spheres with high accuracy. In this paper, we generalize this algorithm to generate saturated RSA packings of two-dimensional polygons. We also calculate the saturation density for regular polygons of three to ten sides and obtain results that are consistent with previous, extrapolation-based studies.

Quantum Dynamics Study of the Isotopic Effect on Capture Reactions: HD, D2 + CH3

NASA Technical Reports Server (NTRS)

Wang, Dunyou; Kwak, Dochan (Technical Monitor)

2002-01-01

Time-dependent wave-packet-propagation calculations are reported for the isotopic reactions, HD + CH3 and D2 + CH3, in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probabilities for different initial rotational-vibrational states are presented in this study. This study shows that excitations of the HD(D2) enhances the reactivities; whereas the excitations of the CH3 umbrella mode have the opposite effects. This is consistent with the reaction of H2 + CH3. The comparison of these three isotopic reactions also shows the isotopic effects in the initial-state-selected reaction probabilities. The cumulative reaction probabilities (CRP) are obtained by summing over initial-state-selected reaction probabilities. The energy-shift approximation to account for the contribution of degrees of freedom missing in the six dimensionality calculation is employed to obtain approximate full-dimensional CRPs. The rate constant comparison shows H2 + CH3 reaction has the biggest reactivity, then HD + CH3, and D2 + CH3 has the smallest.

Effect of steady crucible rotation on segregation in high-pressure vertical Bridgman growth of cadmium zinc telluride

NASA Astrophysics Data System (ADS)

Yeckel, Andrew; Patrick Doty, F.; Derby, Jeffrey J.

1999-05-01

Three-dimensional axisymmetric, time-dependent simulations of the high-pressure vertical Bridgman growth of large-diameter cadmium zinc telluride are performed to study the effect of steady crucible rotation on axial and radial segregation in the grown crystal. The model includes details of heat transfer, melt convection, solid-liquid interface shape, and pseudo-binary zinc segregation. Imposing a moderate rotation rate of 10 rpm on the system slightly improves axial segregation but makes radial segregation much worse. Moreover, values of dimensionless thermal Rossby and Taylor numbers calculated for this system indicate that the baroclinic instability may occur at the rotation rates studied.

Development of low-frequency kernel-function aerodynamics for comparison with time-dependent finite-difference methods

NASA Technical Reports Server (NTRS)

Bland, S. R.

1982-01-01

Finite difference methods for unsteady transonic flow frequency use simplified equations in which certain of the time dependent terms are omitted from the governing equations. Kernel functions are derived for two dimensional subsonic flow, and provide accurate solutions of the linearized potential equation with the same time dependent terms omitted. These solutions make possible a direct evaluation of the finite difference codes for the linear problem. Calculations with two of these low frequency kernel functions verify the accuracy of the LTRAN2 and HYTRAN2 finite difference codes. Comparisons of the low frequency kernel function results with the Possio kernel function solution of the complete linear equations indicate the adequacy of the HYTRAN approximation for frequencies in the range of interest for flutter calculations.

Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface

NASA Astrophysics Data System (ADS)

Liu, Tianhui; Chen, Jun; Zhang, Zhaojun; Shen, Xiangjian; Fu, Bina; Zhang, Dong H.

2018-04-01

We constructed a nine-dimensional (9D) potential energy surface (PES) for the dissociative chemisorption of H2O on a rigid Ni(100) surface using the neural network method based on roughly 110 000 energies obtained from extensive density functional theory (DFT) calculations. The resulting PES is accurate and smooth, based on the small fitting errors and the good agreement between the fitted PES and the direct DFT calculations. Time dependent wave packet calculations also showed that the PES is very well converged with respect to the fitting procedure. The dissociation probabilities of H2O initially in the ground rovibrational state from 9D quantum dynamics calculations are quite different from the site-specific results from the seven-dimensional (7D) calculations, indicating the importance of full-dimensional quantum dynamics to quantitatively characterize this gas-surface reaction. It is found that the validity of the site-averaging approximation with exact potential holds well, where the site-averaging dissociation probability over 15 fixed impact sites obtained from 7D quantum dynamics calculations can accurately approximate the 9D dissociation probability for H2O in the ground rovibrational state.

FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Regnier, D.; Dubray, N.; Verriere, M.

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this study, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different typesmore » of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank–Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of 240Pu and 256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. Finally, we emphasize that in a realistic calculation of fission mass distributions of 240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).« less

FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

DOE PAGES

Regnier, D.; Dubray, N.; Verriere, M.; ...

2017-12-20

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this study, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different typesmore » of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank–Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of 240Pu and 256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. Finally, we emphasize that in a realistic calculation of fission mass distributions of 240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).« less

Model predictions of latitude-dependent ozone depletion due to aerospace vehicle operations

NASA Technical Reports Server (NTRS)

Borucki, W. J.; Whitten, R. C.; Watson, V. R.; Riegel, C. A.; Maples, A. L.; Capone, L. A.

1976-01-01

Results are presented from a two-dimensional model of the stratosphere that simulates the seasonal movement of ozone by both wind and eddy transport, and contains all the chemistry known to be important. The calculated reductions in ozone due to NO2 injection from a fleet of supersonic transports are compared with the zonally averaged results of a three-dimensional model for a similar episode of injection. The agreement is good in the northern hemisphere, but is not as good in the southern hemisphere. Both sets of calculations show a strong corridor effect in that the predicted ozone depletions are largest to the north of the flight corridor for aircraft operating in the northern hemisphere.

Dynamic current-current susceptibility in three-dimensional Dirac and Weyl semimetals

NASA Astrophysics Data System (ADS)

Thakur, Anmol; Sadhukhan, Krishanu; Agarwal, Amit

2018-01-01

We study the linear response of doped three-dimensional Dirac and Weyl semimetals to vector potentials, by calculating the wave-vector- and frequency-dependent current-current response function analytically. The longitudinal part of the dynamic current-current response function is then used to study the plasmon dispersion and the optical conductivity. The transverse response in the static limit yields the orbital magnetic susceptibility. In a Weyl semimetal, along with the current-current response function, all these quantities are significantly impacted by the presence of parallel electric and magnetic fields (a finite E .B term) and can be used to experimentally explore the chiral anomaly.

Three- and two-dimensional simulations of counter-propagating shear experiments at high energy densities at the National Ignition Facility

DOE PAGES

Wang, Ping; Zhou, Ye; MacLaren, Stephan A.; ...

2015-11-06

Three- and two-dimensional numerical studies have been carried out to simulate recent counter-propagating shear flow experiments on the National Ignition Facility. A multi-physics three-dimensional, time-dependent radiation hydrodynamics simulation code is used. Using a Reynolds Averaging Navier-Stokes model, we show that the evolution of the mixing layer width obtained from the simulations agrees well with that measured from the experiments. A sensitivity study is conducted to illustrate a 3D geometrical effect that could confuse the measurement at late times, if the energy drives from the two ends of the shock tube are asymmetric. Implications for future experiments are discussed.

Strong dependence of rain-induced lidar depolarization on the illumination angle: experimental evidence and geometrical-optics interpretation.

PubMed

Roy, G; Bissonnette, L R

2001-09-20

Backscatter and depolarization lidar measurements from clouds and precipitation are reported as functions of the elevation angle of the pointing lidar direction. We recorded the data by scanning the lidar beam (Nd:YAG) at a constant angular speed of ~3.5 degrees /s while operating at a repetition rate of 10 Hz. We show that in rain there is an evident and at times spectacular dependence on the elevation angle. That dependence appears to be sensitive to raindrop size. We have developed a three-dimensional polarization-dependent ray-tracing algorithm to calculate the backscatter and the depolarization ratio by large nonspherical droplets. We have applied it to raindrop shapes derived from existing static and dynamic (oscillating) models. We show that many of the observed complex backscatter and depolarization features can be interpreted to a good extent by geometrical optics. These results suggest that there is a definite need for more extensive calculations of the scattering phase matrix elements for large deformed raindrops as functions of the direction of illumination. Obvious applications are retrieval of information on the liquid-solid phase of precipitation and on the size and the vibration state of raindrops.

JADA: a graphical user interface for comprehensive internal dose assessment in nuclear medicine.

PubMed

Grimes, Joshua; Uribe, Carlos; Celler, Anna

2013-07-01

The main objective of this work was to design a comprehensive dosimetry package that would keep all aspects of internal dose calculation within the framework of a single software environment and that would be applicable for a variety of dose calculation approaches. Our MATLAB-based graphical user interface (GUI) can be used for processing data obtained using pure planar, pure SPECT, or hybrid planar/SPECT imaging. Time-activity data for source regions are obtained using a set of tools that allow the user to reconstruct SPECT images, load images, coregister a series of planar images, and to perform two-dimensional and three-dimensional image segmentation. Curve fits are applied to the acquired time-activity data to construct time-activity curves, which are then integrated to obtain time-integrated activity coefficients. Subsequently, dose estimates are made using one of three methods. The organ level dose calculation subGUI calculates mean organ doses that are equivalent to dose assessment performed by OLINDA/EXM. Voxelized dose calculation options, which include the voxel S value approach and Monte Carlo simulation using the EGSnrc user code DOSXYZnrc, are available within the process 3D image data subGUI. The developed internal dosimetry software package provides an assortment of tools for every step in the dose calculation process, eliminating the need for manual data transfer between programs. This saves times and minimizes user errors, while offering a versatility that can be used to efficiently perform patient-specific internal dose calculations in a variety of clinical situations.

The development of the time dependence of the nuclear EMP electric field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eng, C

The nuclear electromagnetic pulse (EMP) electric field calculated with the legacy code CHAP is compared with the field given by an integral solution of Maxwell's equations, also known as the Jefimenko equation, to aid our current understanding on the factors that affect the time dependence of the EMP. For a fair comparison the CHAP current density is used as a source in the Jefimenko equation. At first, the comparison is simplified by neglecting the conduction current and replacing the standard atmosphere with a constant density air slab. The simplicity of the resultant current density aids in determining the factors thatmore » affect the rise, peak and tail of the EMP electric field versus time. The three dimensional nature of the radiating source, i.e. sources off the line-of-sight, and the time dependence of the derivative of the current density with respect to time are found to play significant roles in shaping the EMP electric field time dependence. These results are found to hold even when the conduction current and the standard atmosphere are properly accounted for. Comparison of the CHAP electric field with the Jefimenko electric field offers a direct validation of the high-frequency/outgoing wave approximation.« less

Comparative investigation of methods to determine the group velocity dispersion of an endlessly single-mode photonic crystal fiber

NASA Astrophysics Data System (ADS)

Baselt, Tobias; Popp, Tobias; Nelsen, Bryan; Lasagni, Andrés. Fabián.; Hartmann, Peter

2017-05-01

Endlessly single-mode fibers, which enable single mode guidance over a wide spectral range, are indispensable in the field of fiber technology. A two-dimensional photonic crystal with a silica central core and a micrometer-spaced hexagonal array of air holes is an established method to achieve endless single-mode guidance. There are two possible ways to determine the dispersion: measurement and calculation. We calculate the group velocity dispersion GVD based on the measurement of the fiber structure parameters, the hole diameter and the pitch of a presumed homogeneous hexagonal array and compare the calculation with two methods to measure the wavelength-dependent time delay. We measure the time delay on a three hundred meter test fiber with a homemade supercontinuum light source, a set of bandpass filters and a fast detector and compare the results with a white light interferometric setup. To measure the dispersion of optical fibers with high accuracy, a time-frequency-domain setup based on a Mach-Zehnder interferometer is used. The experimental setup allows the determination of the wavelength dependent differential group delay of light travelling through a thirty centimeter piece of test fiber in the wavelength range from VIS to NIR. The determination of the GVD using different methods enables the evaluation of the individual methods for characterizing the endlessly single-mode fiber.

Holocinematographic velocimeter for measuring time-dependent, three-dimensional flows

NASA Technical Reports Server (NTRS)

Beeler, George B.; Weinstein, Leonard M.

1987-01-01

Two simulatneous, orthogonal-axis holographic movies are made of tracer particles in a low-speed water tunnel to determine the time-dependent, three-dimensional velocity field. This instrument is called a Holocinematographic Velocimeter (HCV). The holographic movies are reduced to the velocity field with an automatic data reduction system. This permits the reduction of large numbers of holograms (time steps) in a reasonable amount of time. The current version of the HCV, built for proof-of-concept tests, uses low-frame rate holographic cameras and a prototype of a new type of water tunnel. This water tunnel is a unique low-disturbance facility which has minimal wall effects on the flow. This paper presents the first flow field examined by the HCV, the two-dimensional von Karman vortex street downstream of an unswept circular cylinder. Key factors in the HCV are flow speed, spatial and temporal resolution required, measurement volume, film transport speed, and laser pulse length. The interactions between these factors are discussed.

Validity of the site-averaging approximation for modeling the dissociative chemisorption of H{sub 2} on Cu(111) surface: A quantum dynamics study on two potential energy surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Tianhui; Fu, Bina, E-mail: bina@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn; Zhang, Dong H., E-mail: bina@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn

A new finding of the site-averaging approximation was recently reported on the dissociative chemisorption of the HCl/DCl+Au(111) surface reaction [T. Liu, B. Fu, and D. H. Zhang, J. Chem. Phys. 139, 184705 (2013); T. Liu, B. Fu, and D. H. Zhang, J. Chem. Phys. 140, 144701 (2014)]. Here, in order to investigate the dependence of new site-averaging approximation on the initial vibrational state of H{sub 2} as well as the PES for the dissociative chemisorption of H{sub 2} on Cu(111) surface at normal incidence, we carried out six-dimensional quantum dynamics calculations using the initial state-selected time-dependent wave packet approach, withmore » H{sub 2} initially in its ground vibrational state and the first vibrational excited state. The corresponding four-dimensional site-specific dissociation probabilities are also calculated with H{sub 2} fixed at bridge, center, and top sites. These calculations are all performed based on two different potential energy surfaces (PESs). It is found that the site-averaging dissociation probability over 15 fixed sites obtained from four-dimensional quantum dynamics calculations can accurately reproduce the six-dimensional dissociation probability for H{sub 2} (v = 0) and (v = 1) on the two PESs.« less

HARPA: A versatile three-dimensional Hamiltonian ray-tracing program for acoustic waves in the atmosphere above irregular terrain

NASA Astrophysics Data System (ADS)

Jones, R. M.; Riley, J. P.; Georges, T. M.

1986-08-01

The modular FORTRAN 77 computer program traces the three-dimensional paths of acoustic rays through continuous model atmospheres by numerically integrating Hamilton's equations (a differential expression of Fermat's principle). The user specifies an atmospheric model by writing closed-form formulas for its three-dimensional wind and temperature (or sound speed) distribution, and by defining the height of the reflecting terrain vs. geographic latitude and longitude. Some general-purpose models are provided, or users can readily design their own. In addition to computing the geometry of each raypath, HARPA can calculate pulse travel time, phase time, Doppler shift (if the medium varies in time), absorption, and geometrical path length. The program prints a step-by-step account of a ray's progress. The 410-page documentation describes the ray-tracing equations and the structure of the program, and provides complete instructions, illustrated by a sample case.

Development and validation of a method to directly measure the cable force during the hammer throw.

PubMed

Brice, Sara M; Ness, Kevin F; Rosemond, Doug; Lyons, Keith; Davis, Mark

2008-05-01

The development of cable force during hammer-throw turns is crucial to the throw distance. In this paper, we present a method that is capable of measuring cable force in real time and, as it does not interfere with technique, it is capable of providing immediate feedback to coaches and athletes during training. A strain gauge was mounted on the wires of three hammers to measure the tension in the wire and an elite male hammer thrower executed three throws with each hammer. The output from the gauges was recorded by a data logger positioned on the lower back of the thrower. The throws were captured by three high-speed video cameras and the three-dimensional position of the hammer's head was determined by digitizing the images manually. The five best throws were analysed. The force acting on the hammer's head was calculated from Newton's second law of motion and this was compared with the force measured via the strain gauge. Qualitatively the time dependence of the two forces was essentially the same, although the measured force showed more detail in the troughs of the force-time curves. Quantitatively the average difference between the measured and calculated forces over the five throws was 76 N, which corresponds to a difference of 3.8% for a cable force of 2000 N.

Time-resolved particle image velocimetry measurements of the 3D single-mode Richtmyer-Meshkov instability

NASA Astrophysics Data System (ADS)

Xu, Qian; Krivets, Vitaliy V.; Sewell, Everest G.; Jacobs, Jeffrey W.

2016-11-01

A vertical shock tube is used to perform experiments on the single-mode three-dimensional Richtmyer-Meshkov Instability (RMI). The light gas (Air) and the heavy gas (SF6) enter from the top and the bottom of the shock tube driven section to form the interface. The initial perturbation is then generated by oscillating the gases vertically. Both gases are seeded with particles generated through vaporizing propylene glycol. An incident shock wave (M 1.2) impacts the interface to create an impulsive acceleration. The seeded particles are illuminated by a dual cavity 75W, Nd: YLF laser. Three high-speed CMOS cameras record time sequences of image pairs at a rate of 2 kHz. The initial perturbation used is that of a single, square-mode perturbation with either a single spike or a single bubble positioned at the center of the shock tube. The full time dependent velocity field is obtained allowing the determination of the circulation versus time. In addition, the evolution of time dependent amplitude is also determined. The results are compared with PIV measurements from previous two-dimensional single mode experiments along with PLIF measurements from previous three-dimensional single mode experiments.

A Time-Dependent Quantum Dynamics Study of the H2 + CH3 yields H + CH4 Reaction

NASA Technical Reports Server (NTRS)

Wang, Dunyou; Kwak, Dochan (Technical Monitor)

2002-01-01

We present a time-dependent wave-packet propagation calculation for the H2 + CH3 yields H + CH4 reaction in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probability for different initial rotational-vibrational states are presented in this study. The cumulative reaction probability (CRP) is obtained by summing over initial-state-selected reaction probability. The energy-shift approximation to account for the contribution of degrees of freedom missing in the 6D calculation is employed to obtain an approximate full-dimensional CRP. Thermal rate constant is compared with different experiment results.

Multidimensional effects in nonadiabatic statistical theories of spin- forbidden kinetics. A case study of 3O + CO → CO 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jasper, Ahren

2015-04-14

The appropriateness of treating crossing seams of electronic states of different spins as nonadiabatic transition states in statistical calculations of spin-forbidden reaction rates is considered. We show that the spin-forbidden reaction coordinate, the nuclear coordinate perpendicular to the crossing seam, is coupled to the remaining nuclear degrees of freedom. We found that this coupling gives rise to multidimensional effects that are not typically included in statistical treatments of spin-forbidden kinetics. Three qualitative categories of multidimensional effects may be identified: static multidimensional effects due to the geometry-dependence of the local shape of the crossing seam and of the spin–orbit coupling, dynamicalmore » multidimensional effects due to energy exchange with the reaction coordinate during the seam crossing, and nonlocal(history-dependent) multidimensional effects due to interference of the electronic variables at second, third, and later seam crossings. Nonlocal multidimensional effects are intimately related to electronic decoherence, where electronic dephasing acts to erase the history of the system. A semiclassical model based on short-time full-dimensional trajectories that includes all three multidimensional effects as well as a model for electronic decoherence is presented. The results of this multidimensional nonadiabatic statistical theory (MNST) for the 3O + CO → CO 2 reaction are compared with the results of statistical theories employing one-dimensional (Landau–Zener and weak coupling) models for the transition probability and with those calculated previously using multistate trajectories. The MNST method is shown to accurately reproduce the multistate decay-of-mixing trajectory results, so long as consistent thresholds are used. Furthermore, the MNST approach has several advantages over multistate trajectory approaches and is more suitable in chemical kinetics calculations at low temperatures and for complex systems. The error in statistical calculations that neglect multidimensional effects is shown to be as large as a factor of 2 for this system, with static multidimensional effects identified as the largest source of error.« less

A data assimilation technique to account for the nonlinear dependence of scattering microwave observations of precipitation

NASA Astrophysics Data System (ADS)

Haddad, Z. S.; Steward, J. L.; Tseng, H.-C.; Vukicevic, T.; Chen, S.-H.; Hristova-Veleva, S.

2015-06-01

Satellite microwave observations of rain, whether from radar or passive radiometers, depend in a very crucial way on the vertical distribution of the condensed water mass and on the types and sizes of the hydrometeors in the volume resolved by the instrument. This crucial dependence is nonlinear, with different types and orders of nonlinearity that are due to differences in the absorption/emission and scattering signatures at the different instrument frequencies. Because it is not monotone as a function of the underlying condensed water mass, the nonlinearity requires great care in its representation in the observation operator, as the inevitable uncertainties in the numerous precipitation variables are not directly convertible into an additive white uncertainty in the forward calculated observations. In particular, when attempting to assimilate such data into a cloud-permitting model, special care needs to be applied to describe and quantify the expected uncertainty in the observations operator in order not to turn the implicit white additive uncertainty on the input values into complicated biases in the calculated radiances. One approach would be to calculate the means and covariances of the nonlinearly calculated radiances given an a priori joint distribution for the input variables. This would be a very resource-intensive proposal if performed in real time. We propose a representation of the observation operator based on performing this moment calculation off line, with a dimensionality reduction step to allow for the effective calculation of the observation operator and the associated covariance in real time during the assimilation. The approach is applicable to other remotely sensed observations that depend nonlinearly on model variables, including wind vector fields. The approach has been successfully applied to the case of tropical cyclones, where the organization of the system helps in identifying the dimensionality-reducing variables.

Correlation buildup during recrystallization in three-dimensional dusty plasma clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schella, André; Mulsow, Matthias; Melzer, André

2014-05-15

The recrystallization process of finite three-dimensional dust clouds after laser heating is studied experimentally. The time-dependent Coulomb coupling parameter is presented, showing that the recrystallization starts with an exponential cooling phase where cooling is slower than damping by the neutral gas friction. At later times, the coupling parameter oscillates into equilibrium. It is found that a large fraction of cluster states after recrystallization experiments is in metastable states. The temporal evolution of the correlation buildup shows that correlation occurs on even slower time scale than cooling.

Optimization of Boiling Water Reactor Loading Pattern Using Two-Stage Genetic Algorithm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kobayashi, Yoko; Aiyoshi, Eitaro

2002-10-15

A new two-stage optimization method based on genetic algorithms (GAs) using an if-then heuristic rule was developed to generate optimized boiling water reactor (BWR) loading patterns (LPs). In the first stage, the LP is optimized using an improved GA operator. In the second stage, an exposure-dependent control rod pattern (CRP) is sought using GA with an if-then heuristic rule. The procedure of the improved GA is based on deterministic operators that consist of crossover, mutation, and selection. The handling of the encoding technique and constraint conditions by that GA reflects the peculiar characteristics of the BWR. In addition, strategies suchmore » as elitism and self-reproduction are effectively used in order to improve the search speed. The LP evaluations were performed with a three-dimensional diffusion code that coupled neutronic and thermal-hydraulic models. Strong axial heterogeneities and constraints dependent on three dimensions have always necessitated the use of three-dimensional core simulators for BWRs, so that optimization of computational efficiency is required. The proposed algorithm is demonstrated by successfully generating LPs for an actual BWR plant in two phases. One phase is only LP optimization applying the Haling technique. The other phase is an LP optimization that considers the CRP during reactor operation. In test calculations, candidates that shuffled fresh and burned fuel assemblies within a reasonable computation time were obtained.« less

Three-dimensional modeling of light rays on the surface of a slanted lenticular array for autostereoscopic displays.

PubMed

Jung, Sung-Min; Kang, In-Byeong

2013-08-10

In this paper, we developed an optical model describing the behavior of light at the surface of a slanted lenticular array for autostereoscopic displays in three dimensions and simulated the optical characteristics of autostereoscopic displays using the Monte Carlo method under actual design conditions. The behavior of light is analyzed by light rays for selected inclination and azimuthal angles; numerical aberrations and conditions of total internal reflection for the lenticular array were found. The intensity and the three-dimensional crosstalk distributions calculated from our model coincide very well with those from conventional design software, and our model shows highly enhanced calculation speed that is 67 times faster than that of the conventional software. From the results, we think that the optical model is very useful for predicting the optical characteristics of autostereoscopic displays with enhanced calculation speed.

Multigrid for hypersonic viscous two- and three-dimensional flows

NASA Technical Reports Server (NTRS)

Turkel, E.; Swanson, R. C.; Vatsa, V. N.; White, J. A.

1991-01-01

The use of a multigrid method with central differencing to solve the Navier-Stokes equations for hypersonic flows is considered. The time dependent form of the equations is integrated with an explicit Runge-Kutta scheme accelerated by local time stepping and implicit residual smoothing. Variable coefficients are developed for the implicit process that removes the diffusion limit on the time step, producing significant improvement in convergence. A numerical dissipation formulation that provides good shock capturing capability for hypersonic flows is presented. This formulation is shown to be a crucial aspect of the multigrid method. Solutions are given for two-dimensional viscous flow over a NACA 0012 airfoil and three-dimensional flow over a blunt biconic.

Three-dimensional particle-particle simulations: Dependence of relaxation time on plasma parameter

NASA Astrophysics Data System (ADS)

Zhao, Yinjian

2018-05-01

A particle-particle simulation model is applied to investigate the dependence of the relaxation time on the plasma parameter in a three-dimensional unmagnetized plasma. It is found that the relaxation time increases linearly as the plasma parameter increases within the range of the plasma parameter from 2 to 10; when the plasma parameter equals 2, the relaxation time is independent of the total number of particles, but when the plasma parameter equals 10, the relaxation time slightly increases as the total number of particles increases, which indicates the transition of a plasma from collisional to collisionless. In addition, ions with initial Maxwell-Boltzmann (MB) distribution are found to stay in the MB distribution during the whole simulation time, and the mass of ions does not significantly affect the relaxation time of electrons. This work also shows the feasibility of the particle-particle model when using GPU parallel computing techniques.

On the instability of a 3-dimensional attachment line boundary layer: Weakly nonlinear theory and a numerical approach

NASA Technical Reports Server (NTRS)

Hall, P.; Malik, M. R.

1984-01-01

The instability of a three dimensional attachment line boundary layer is considered in the nonlinear regime. Using weakly nonlinear theory, it is found that, apart from a small interval near the (linear) critical Reynolds number, finite amplitude solutions bifurcate subcritically from the upper branch of the neutral curve. The time dependent Navier-Stokes equations for the attachment line flow have been solved using a Fourier-Chebyshev spectral method and the subcritical instability is found at wavenumbers that correspond to the upper branch. Both the theory and the numerical calculations show the existence of supercritical finite amplitude (equilibrium) states near the lower branch which explains why the observed flow exhibits a preference for the lower branch modes. The effect of blowing and suction on nonlinear stability of the attachment line boundary layer is also investigated.

Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH{sub 4} → H{sub 2} + CH{sub 3} reaction on a neural network PES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Welsch, Ralph, E-mail: rwelsch@uni-bielefeld.de; Manthe, Uwe, E-mail: uwe.manthe@uni-bielefeld.de

2015-02-14

Initial state-selected reaction probabilities of the H + CH{sub 4} → H{sub 2} + CH{sub 3} reaction are calculated in full and reduced dimensionality on a recent neural network potential [X. Xu, J. Chen, and D. H. Zhang, Chin. J. Chem. Phys. 27, 373 (2014)]. The quantum dynamics calculation employs the quantum transition state concept and the multi-layer multi-configurational time-dependent Hartree approach and rigorously studies the reaction for vanishing total angular momentum (J = 0). The calculations investigate the accuracy of the neutral network potential and study the effect resulting from a reduced-dimensional treatment. Very good agreement is found betweenmore » the present results obtained on the neural network potential and previous results obtained on a Shepard interpolated potential energy surface. The reduced-dimensional calculations only consider motion in eight degrees of freedom and retain the C{sub 3v} symmetry of the methyl fragment. Considering reaction starting from the vibrational ground state of methane, the reaction probabilities calculated in reduced dimensionality are moderately shifted in energy compared to the full-dimensional ones but otherwise agree rather well. Similar agreement is also found if reaction probabilities averaged over similar types of vibrational excitation of the methane reactant are considered. In contrast, significant differences between reduced and full-dimensional results are found for reaction probabilities starting specifically from symmetric stretching, asymmetric (f{sub 2}-symmetric) stretching, or e-symmetric bending excited states of methane.« less

Flow analysis for the nacelle of an advanced ducted propeller at high angle-of-attack and at cruise with boundary layer control

NASA Technical Reports Server (NTRS)

Hwang, D. P.; Boldman, D. R.; Hughes, C. E.

1994-01-01

An axisymmetric panel code and a three dimensional Navier-Stokes code (used as an inviscid Euler code) were verified for low speed, high angle of attack flow conditions. A three dimensional Navier-Stokes code (used as an inviscid code), and an axisymmetric Navier-Stokes code (used as both viscous and inviscid code) were also assessed for high Mach number cruise conditions. The boundary layer calculations were made by using the results from the panel code or Euler calculation. The panel method can predict the internal surface pressure distributions very well if no shock exists. However, only Euler and Navier-Stokes calculations can provide a good prediction of the surface static pressure distribution including the pressure rise across the shock. Because of the high CPU time required for a three dimensional Navier-Stokes calculation, only the axisymmetric Navier-Stokes calculation was considered at cruise conditions. The use of suction and tangential blowing boundary layer control to eliminate the flow separation on the internal surface was demonstrated for low free stream Mach number and high angle of attack cases. The calculation also shows that transition from laminar flow to turbulent flow on the external cowl surface can be delayed by using suction boundary layer control at cruise flow conditions. The results were compared with experimental data where possible.

Plasmon mass scale in two-dimensional classical nonequilibrium gauge theory

NASA Astrophysics Data System (ADS)

Lappi, T.; Peuron, J.

2018-02-01

We study the plasmon mass scale in classical gluodynamics in a two-dimensional configuration that mimics the boost-invariant initial color fields in a heavy-ion collision. We numerically measure the plasmon mass scale using three different methods: a hard thermal loop (HTL) expression involving the quasiparticle spectrum constructed from Coulomb gauge field correlators, an effective dispersion relation, and the measurement of oscillations between electric and magnetic energies after introducing a spatially uniform perturbation to the electric field. We find that the HTL expression and the uniform electric field measurement are in rough agreement. The effective dispersion relation agrees with other methods within a factor of 2. We also study the dependence on time and occupation number, observing similar trends as in three spatial dimensions, where a power-law dependence sets in after an occupation-number-dependent transient time. We observe a decrease of the plasmon mass squared as t-1 / 3 at late times.

Landau damping of Bogoliubov excitations in two- and three-dimensional optical lattices at finite temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsuchiya, Shunji; Department of Physics, Waseda University, 3-4-1 Okubo, Tokyo 169-8555; Griffin, Allan

2005-11-15

We study the Landau damping of Bogoliubov excitations in two- and three-dimensional optical lattices at finite temperatures, extending our recent work on one-dimensional (1D) optical lattices. We use a Bose-Hubbard tight-binding model and the Popov approximation to calculate the temperature dependence of the number of condensate atoms n{sup c0}(T) in each lattice well. As with 1D optical lattices, damping only occurs if the Bogoliubov excitations exhibit anomalous dispersion (i.e., the excitation energy bends upward at low momentum), analogous to the case of phonons in superfluid {sup 4}He. This leads to the disappearance of all damping processes in a D-dimensional simplemore » cubic optical lattice when Un{sup c0}{>=}6DJ, where U is the on-site interaction, and J is the hopping matrix element.« less

Advances in three-dimensional field analysis and evaluation of performance parameters of electrical machines

NASA Astrophysics Data System (ADS)

Sivasubramaniam, Kiruba

This thesis makes advances in three dimensional finite element analysis of electrical machines and the quantification of their parameters and performance. The principal objectives of the thesis are: (1)the development of a stable and accurate method of nonlinear three-dimensional field computation and application to electrical machinery and devices; and (2)improvement in the accuracy of determination of performance parameters, particularly forces and torque computed from finite elements. Contributions are made in two general areas: a more efficient formulation for three dimensional finite element analysis which saves time and improves accuracy, and new post-processing techniques to calculate flux density values from a given finite element solution. A novel three-dimensional magnetostatic solution based on a modified scalar potential method is implemented. This method has significant advantages over the traditional total scalar, reduced scalar or vector potential methods. The new method is applied to a 3D geometry of an iron core inductor and a permanent magnet motor. The results obtained are compared with those obtained from traditional methods, in terms of accuracy and speed of computation. A technique which has been observed to improve force computation in two dimensional analysis using a local solution of Laplace's equation in the airgap of machines is investigated and a similar method is implemented in the three dimensional analysis of electromagnetic devices. A new integral formulation to improve force calculation from a smoother flux-density profile is also explored and implemented. Comparisons are made and conclusions drawn as to how much improvement is obtained and at what cost. This thesis also demonstrates the use of finite element analysis to analyze torque ripples due to rotor eccentricity in permanent magnet BLDC motors. A new method for analyzing torque harmonics based on data obtained from a time stepping finite element analysis of the machine is explored and implemented.

WIND: Computer program for calculation of three dimensional potential compressible flow about wind turbine rotor blades

NASA Technical Reports Server (NTRS)

Dulikravich, D. S.

1980-01-01

A computer program is presented which numerically solves an exact, full potential equation (FPE) for three dimensional, steady, inviscid flow through an isolated wind turbine rotor. The program automatically generates a three dimensional, boundary conforming grid and iteratively solves the FPE while fully accounting for both the rotating cascade and Coriolis effects. The numerical techniques incorporated involve rotated, type dependent finite differencing, a finite volume method, artificial viscosity in conservative form, and a successive line overrelaxation combined with the sequential grid refinement procedure to accelerate the iterative convergence rate. Consequently, the WIND program is capable of accurately analyzing incompressible and compressible flows, including those that are locally transonic and terminated by weak shocks. The program can also be used to analyze the flow around isolated aircraft propellers and helicopter rotors in hover as long as the total relative Mach number of the oncoming flow is subsonic.

A three-dimensional study of 30- to 300-MeV atmospheric gamma rays

NASA Technical Reports Server (NTRS)

Thompson, D. J.

1974-01-01

A three-dimensional study of atmospheric gamma rays with energy greater than 30 MeV has been carried out. A knowledge of these atmospheric secondaries has significant applications to the study of cosmic gamma rays. For detectors carried on balloons, atmospherically produced gamma rays are the major source of background. For satellite detectors, atmospheric secondaries provide a calibration source. Experimental results were obtained from four balloon flights from Palestine, Texas, with a 15 cm by 15 cm digitized wire grid spark chamber. The energy spectrum for downward-moving gamma rays steepens with increasing atmospheric depth. Near the top of the atmosphere, the spectrum steepens with increasing zenith angle. A new model of atmospheric secondary production has calculated the depth, the energy, and the zenith angle dependence of gamma rays above 30 MeV, using a comprehensive three-dimensional Monte Carlo model of the nucleon-meson-electromagnetic cascade.

Mixing of a passive scalar in isotropic and sheared homogeneous turbulence

NASA Technical Reports Server (NTRS)

Shirani, E.; Ferziger, J. H.; Reynolds, W. C.

1981-01-01

In order to calculate the velocity and scalar fields, the three dimensional, time-dependent equations of motion and the diffusion equation were solved numerically. The following cases were treated: isotropic, homogeneous turbulence with decay of a passive scalar; and homogeneous turbulent shear flow with a passive scalar whose mean varies linearly in the spanwise direction. The solutions were obtained at relatively low Reynolds numbers so that all of the turbulent scales could be resolved without modeling. Turbulent statistics such as integral length scales, Taylor microscales, Kolmogorov length scale, one- and two-point correlations of velocity-velocity and velocity-scalar, turbulent Prandtl/Schmidt number, r.m.s. values of velocities, the scalar quantity and pressure, skewness, decay rates, and decay exponents were calculated. The results are compared with the available expermental results, and good agreement is obtained.

Time-dependent corona models - Scaling laws

NASA Technical Reports Server (NTRS)

Korevaar, P.; Martens, P. C. H.

1989-01-01

Scaling laws are derived for the one-dimensional time-dependent Euler equations that describe the evolution of a spherically symmetric stellar atmosphere. With these scaling laws the results of the time-dependent calculations by Korevaar (1989) obtained for one star are applicable over the whole Hertzsprung-Russell diagram and even to elliptic galaxies. The scaling is exact for stars with the same M/R-ratio and a good approximation for stars with a different M/R-ratio. The global relaxation oscillation found by Korevaar (1989) is scaled to main sequence stars, a solar coronal hole, cool giants and elliptic galaxies.

A numerical code for a three-dimensional magnetospheric MHD equilibrium model

NASA Technical Reports Server (NTRS)

Voigt, G.-H.

1992-01-01

Two dimensional and three dimensional MHD equilibrium models were begun for Earth's magnetosphere. The original proposal was motivated by realizing that global, purely data based models of Earth's magnetosphere are inadequate for studying the underlying plasma physical principles according to which the magnetosphere evolves on the quasi-static convection time scale. Complex numerical grid generation schemes were established for a 3-D Poisson solver, and a robust Grad-Shafranov solver was coded for high beta MHD equilibria. Thus, the effects were calculated of both the magnetopause geometry and boundary conditions on the magnetotail current distribution.

A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions

DOE PAGES

Wu, Guanhong; Zhou, Chenkun; Ming, Wenmei; ...

2018-05-23

Organic–inorganic metal halide hybrids have emerged as a new class of materials with fascinating optical and electronic properties. The exceptional structure tunability has enabled the development of materials with various dimensionalities at the molecular level, from three-dimensional (3D) to 2D, 1D, and 0D. Here, we report a new 1D lead chloride hybrid, C 4N 2H 14PbCl 4, which exhibits unusual inverse excitation-dependent broadband emission from bluish-green to yellow. Density functional theory calculations were performed to better understand the mechanism of this excitation-dependent broadband emission. This 1D hybrid material is found to have two emission centers, corresponding to the self-trapped excitonsmore » (STEs) and vacancy-bound excitons. The excitation-dependent emission is due to different populations of these two types of excitons generated at different excitation wavelengths. Furthermore, this work shows the rich chemistry and physics of organic–inorganic metal halide hybrids and paves the way to achieving novel light emitters with excitation-dependent broadband emissions at room temperature.« less

A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Guanhong; Zhou, Chenkun; Ming, Wenmei

Organic–inorganic metal halide hybrids have emerged as a new class of materials with fascinating optical and electronic properties. The exceptional structure tunability has enabled the development of materials with various dimensionalities at the molecular level, from three-dimensional (3D) to 2D, 1D, and 0D. Here, we report a new 1D lead chloride hybrid, C 4N 2H 14PbCl 4, which exhibits unusual inverse excitation-dependent broadband emission from bluish-green to yellow. Density functional theory calculations were performed to better understand the mechanism of this excitation-dependent broadband emission. This 1D hybrid material is found to have two emission centers, corresponding to the self-trapped excitonsmore » (STEs) and vacancy-bound excitons. The excitation-dependent emission is due to different populations of these two types of excitons generated at different excitation wavelengths. Furthermore, this work shows the rich chemistry and physics of organic–inorganic metal halide hybrids and paves the way to achieving novel light emitters with excitation-dependent broadband emissions at room temperature.« less

Time-accurate simulations of a shear layer forced at a single frequency

NASA Technical Reports Server (NTRS)

Claus, R. W.; Huang, P. G.; Macinnes, J. M.

1988-01-01

Calculations are presented for the forced shear layer studied experimentally by Oster and Wygnanski, and Weisbrot. Two different computational approaches are examined: Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES). The DNS approach solves the full three dimensional Navier-Stokes equations for a temporally evolving mixing layer, while the LES approach solves the two dimensional Navier-Stokes equations with a subgrid scale turbulence model. While the comparison between these calculations and experimental data was hampered by a lack of information on the inflow boundary conditions, the calculations are shown to qualitatively agree with several aspects of the experiment. The sensitivity of these calculations to factors such as mesh refinement and Reynolds number is illustrated.

Investigating tunneling process of atom exposed in circularly polarized strong-laser field

NASA Astrophysics Data System (ADS)

Yuan, MingHu; Xin, PeiPei; Chu, TianShu; Liu, HongPing

2017-03-01

We propose a method for studying the tunneling process by analyzing the instantaneous ionization rate of a circularly polarized laser. A numerical calculation shows that, for an atom exposed to a long laser pulse, if its initial electronic state wave function is non-spherical symmetric, the delayed phase shift of the ionization rate vs the laser cycle period in real time in the region close to the peak intensity of the laser pulse can be used to probe the tunneling time. In this region, an obvious time delay phase shift of more than 190 attoseconds is observed. Further study shows that the atom has a longer tunneling time in the ionization under a shorter wavelength laser pulse. In our method, a Wigner rotation technique is employed to numerically solve the time-dependent Schrödinger equation of a single-active electron in a three-dimensional spherical coordinate system.

Nuclear Pasta at Finite Temperature with the Time-Dependent Hartree-Fock Approach

NASA Astrophysics Data System (ADS)

Schuetrumpf, B.; Klatt, M. A.; Iida, K.; Maruhn, J. A.; Mecke, K.; Reinhard, P.-G.

2016-01-01

We present simulations of neutron-rich matter at sub-nuclear densities, like supernova matter. With the time-dependent Hartree-Fock approximation we can study the evolution of the system at temperatures of several MeV employing a full Skyrme interaction in a periodic three-dimensional grid [1]. The initial state consists of α particles randomly distributed in space that have a Maxwell-Boltzmann distribution in momentum space. Adding a neutron background initialized with Fermi distributed plane waves the calculations reflect a reasonable approximation of astrophysical matter. The matter evolves into spherical, rod-like, connected rod-like and slab-like shapes. Further we observe gyroid-like structures, discussed e.g. in [2], which are formed spontaneously choosing a certain value of the simulation box length. The ρ-T-map of pasta shapes is basically consistent with the phase diagrams obtained from QMD calculations [3]. By an improved topological analysis based on Minkowski functionals [4], all observed pasta shapes can be uniquely identified by only two valuations, namely the Euler characteristic and the integral mean curvature. In addition we propose the variance in the cell-density distribution as a measure to distinguish pasta matter from uniform matter.

Framework to model neutral particle flux in convex high aspect ratio structures using one-dimensional radiosity

NASA Astrophysics Data System (ADS)

Manstetten, Paul; Filipovic, Lado; Hössinger, Andreas; Weinbub, Josef; Selberherr, Siegfried

2017-02-01

We present a computationally efficient framework to compute the neutral flux in high aspect ratio structures during three-dimensional plasma etching simulations. The framework is based on a one-dimensional radiosity approach and is applicable to simulations of convex rotationally symmetric holes and convex symmetric trenches with a constant cross-section. The framework is intended to replace the full three-dimensional simulation step required to calculate the neutral flux during plasma etching simulations. Especially for high aspect ratio structures, the computational effort, required to perform the full three-dimensional simulation of the neutral flux at the desired spatial resolution, conflicts with practical simulation time constraints. Our results are in agreement with those obtained by three-dimensional Monte Carlo based ray tracing simulations for various aspect ratios and convex geometries. With this framework we present a comprehensive analysis of the influence of the geometrical properties of high aspect ratio structures as well as of the particle sticking probability on the neutral particle flux.

Novel carbazole derivatives with quinoline ring: synthesis, electronic transition, and two-photon absorption three-dimensional optical data storage.

PubMed

Li, Liang; Wang, Ping; Hu, Yanlei; Lin, Geng; Wu, Yiqun; Huang, Wenhao; Zhao, Quanzhong

2015-03-15

We designed carbazole unit with an extended π conjugation by employing Vilsmeier formylation reaction and Knoevenagel condensation to facilitate the functional groups of quinoline from 3- or 3,6-position of carbazole. Two compounds doped with poly(methyl methacrylate) (PMMA) films were prepared. To explore the electronic transition properties of these compounds, one-photon absorption properties were experimentally measured and theoretically calculated by using the time-dependent density functional theory. We surveyed these films by using an 800 nm Ti:sapphire 120-fs laser with two-photon absorption (TPA) fluorescence emission properties and TPA coefficients to obtain the TPA cross sections. A three-dimensional optical data storage experiment was conducted by using a TPA photoreaction with an 800 nm-fs laser on the film to obtain a seven-layer optical data storage. The experiment proves that these carbazole derivatives are well suited for two-photon 3D optical storage, thus laying the foundation for the research of multilayer high-density and ultra-high-density optical information storage materials. Copyright © 2014 Elsevier B.V. All rights reserved.

Three-dimensional relativistic field-electron interaction in a multicavity high-power klystron. 1: Basic theory

NASA Technical Reports Server (NTRS)

Kosmahl, H. G.

1982-01-01

A theoretical investigation of three dimensional relativistic klystron action is described. The relativistic axisymmetric equations of motion are derived from the time-dependent Lagrangian function for a charged particle in electromagnetic fields. An analytical expression of the fringing RF electric and magnetic fields within and in the vicinity of the interaction gap and the space-charge forces between axially and radially elastic deformable rings of charges are both included in the formulation. This makes an accurate computation of electron motion through the tunnel of the cavities and the drift tube spaces possible. Method of analysis is based on Lagrangian formulation. Bunching is computed using a disk model of electron stream in which the electron stream is divided into axisymmetric disks of equal charge and each disk is assumed to consist of a number of concentric rings of equal charges. The Individual representative groups of electrons are followed through the interaction gaps and drift tube spaces. Induced currents and voltages in interacting cavities are calculated by invoking the Shockley-Ramo theorem.

A parallel reaction-transport model applied to cement hydration and microstructure development

NASA Astrophysics Data System (ADS)

Bullard, Jeffrey W.; Enjolras, Edith; George, William L.; Satterfield, Steven G.; Terrill, Judith E.

2010-03-01

A recently described stochastic reaction-transport model on three-dimensional lattices is parallelized and is used to simulate the time-dependent structural and chemical evolution in multicomponent reactive systems. The model, called HydratiCA, uses probabilistic rules to simulate the kinetics of diffusion, homogeneous reactions and heterogeneous phenomena such as solid nucleation, growth and dissolution in complex three-dimensional systems. The algorithms require information only from each lattice site and its immediate neighbors, and this localization enables the parallelized model to exhibit near-linear scaling up to several hundred processors. Although applicable to a wide range of material systems, including sedimentary rock beds, reacting colloids and biochemical systems, validation is performed here on two minerals that are commonly found in Portland cement paste, calcium hydroxide and ettringite, by comparing their simulated dissolution or precipitation rates far from equilibrium to standard rate equations, and also by comparing simulated equilibrium states to thermodynamic calculations, as a function of temperature and pH. Finally, we demonstrate how HydratiCA can be used to investigate microstructure characteristics, such as spatial correlations between different condensed phases, in more complex microstructures.

Semisupervised kernel marginal Fisher analysis for face recognition.

PubMed

Wang, Ziqiang; Sun, Xia; Sun, Lijun; Huang, Yuchun

2013-01-01

Dimensionality reduction is a key problem in face recognition due to the high-dimensionality of face image. To effectively cope with this problem, a novel dimensionality reduction algorithm called semisupervised kernel marginal Fisher analysis (SKMFA) for face recognition is proposed in this paper. SKMFA can make use of both labelled and unlabeled samples to learn the projection matrix for nonlinear dimensionality reduction. Meanwhile, it can successfully avoid the singularity problem by not calculating the matrix inverse. In addition, in order to make the nonlinear structure captured by the data-dependent kernel consistent with the intrinsic manifold structure, a manifold adaptive nonparameter kernel is incorporated into the learning process of SKMFA. Experimental results on three face image databases demonstrate the effectiveness of our proposed algorithm.

A two-dimensional MHD global coronal model - Steady-state streamers

NASA Technical Reports Server (NTRS)

Wang, A.-H.; Wu, S. T.; Suess, S. T.; Poletto, G.

1992-01-01

A 2D, time-dependent, numerical, MHD model for the simulation of coronal streamers from the solar surface to 15 solar is presented. Three examples are given; for dipole, quadrupole and hexapole (Legendre polynomials P1, P2, and P3) initial field topologies. The computed properties are density, temperature, velocity, and magnetic field. The calculation is set up as an initial-boundary value problem wherein a relaxation in time produces the steady state solution. In addition to the properties of the solutions, their accuracy is discussed. Besides solutions for dipole, quadrupole, and hexapole geometries, the model use of realistic values for the density and Alfven speed while still meeting the requirement that the flow speed be super-Alfvenic at the outer boundary by extending the outer boundary to 15 solar radii.

Three-dimensional weight-accumulation algorithm for generating multiple excitation spots in fast optical stimulation

NASA Astrophysics Data System (ADS)

Takiguchi, Yu; Toyoda, Haruyoshi

2017-11-01

We report here an algorithm for calculating a hologram to be employed in a high-access speed microscope for observing sensory-driven synaptic activity across all inputs to single living neurons in an intact cerebral cortex. The system is based on holographic multi-beam generation using a two-dimensional phase-only spatial light modulator to excite multiple locations in three dimensions with a single hologram. The hologram was calculated with a three-dimensional weighted iterative Fourier transform method using the Ewald sphere restriction to increase the calculation speed. Our algorithm achieved good uniformity of three dimensionally generated excitation spots; the standard deviation of the spot intensities was reduced by a factor of two compared with a conventional algorithm.

Three-dimensional weight-accumulation algorithm for generating multiple excitation spots in fast optical stimulation

NASA Astrophysics Data System (ADS)

Takiguchi, Yu; Toyoda, Haruyoshi

2018-06-01

We report here an algorithm for calculating a hologram to be employed in a high-access speed microscope for observing sensory-driven synaptic activity across all inputs to single living neurons in an intact cerebral cortex. The system is based on holographic multi-beam generation using a two-dimensional phase-only spatial light modulator to excite multiple locations in three dimensions with a single hologram. The hologram was calculated with a three-dimensional weighted iterative Fourier transform method using the Ewald sphere restriction to increase the calculation speed. Our algorithm achieved good uniformity of three dimensionally generated excitation spots; the standard deviation of the spot intensities was reduced by a factor of two compared with a conventional algorithm.

Amide I vibrational circular dichroism of dipeptide: Conformation dependence and fragment analysis

NASA Astrophysics Data System (ADS)

Choi, Jun-Ho; Cho, Minhaeng

2004-03-01

The amide I vibrational circular dichroic response of alanine dipeptide analog (ADA) was theoretically investigated and the density functional theory calculation and fragment analysis results are presented. A variety of vibrational spectroscopic properties, local and normal mode frequencies, coupling constant, dipole, and rotational strengths, are calculated by varying two dihedral angles determining the three-dimensional ADA conformation. Considering two monopeptide fragments separately, we show that the amide I vibrational circular dichroism of the ADA can be quantitatively predicted. For several representative conformations of the model ADA, vibrational circular dichroism spectra are calculated by using both the density functional theory calculation and fragment analysis methods.

Nonlinear stability of Taylor's vortex array

NASA Technical Reports Server (NTRS)

Lin, S. P.; Tobak, M.

1987-01-01

It is proved that the two-dimensional Taylor vortex array, which is an exact unsteady solution of the Navier-Stokes equation, is globally and asymptotically stable in the mean with respect to three-dimensional periodic disturbances. A time-dependent bound on the decay rate of the kinetic energy of disturbances is obtained.

Application of adaptive gridding to magnetohydrodynamic flows

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schnack, D.D.; Lotatti, I.; Satyanarayana, P.

1996-12-31

The numerical simulation of the primitive, three-dimensional, time-dependent, resistive MHD equations on an unstructured, adaptive poloidal mesh using the TRIM code has been reported previously. The toroidal coordinate is approximated pseudo-spectrally with finite Fourier series and Fast-Fourier Transforms. The finite-volume algorithm preserves the magnetic field as solenoidal to round-off error, and also conserves mass, energy, and magnetic flux exactly. A semi-implicit method is used to allow for large time steps on the unstructured mesh. This is important for tokamak calculations where the relevant time scale is determined by the poloidal Alfven time. This also allows the viscosity to be treatedmore » implicitly. A conjugate-gradient method with pre-conditioning is used for matrix inversion. Applications to the growth and saturation of ideal instabilities in several toroidal fusion systems has been demonstrated. Recently we have concentrated on the details of the mesh adaption algorithm used in TRIM. We present several two-dimensional results relating to the use of grid adaptivity to track the evolution of hydrodynamic and MHD structures. Examples of plasma guns, opening switches, and supersonic flow over a magnetized sphere are presented. Issues relating to mesh adaption criteria are discussed.« less

Anisotropic dielectric properties of two-dimensional matrix in pseudo-spin ferroelectric system

NASA Astrophysics Data System (ADS)

Kim, Se-Hun

2016-10-01

The anisotropic dielectric properties of a two-dimensional (2D) ferroelectric system were studied using the statistical calculation of the pseudo-spin Ising Hamiltonian model. It is necessary to delay the time for measurements of the observable and the independence of the new spin configuration under Monte Carlo sampling, in which the thermal equilibrium state depends on the temperature and size of the system. The autocorrelation time constants of the normalized relaxation function were determined by taking temperature and 2D lattice size into account. We discuss the dielectric constants of a two-dimensional ferroelectric system by using the Metropolis method in view of the Slater-Takagi defect energies.

Acceleration of color computer-generated hologram from three-dimensional scenes with texture and depth information

NASA Astrophysics Data System (ADS)

Shimobaba, Tomoyoshi; Kakue, Takashi; Ito, Tomoyoshi

2014-06-01

We propose acceleration of color computer-generated holograms (CGHs) from three-dimensional (3D) scenes that are expressed as texture (RGB) and depth (D) images. These images are obtained by 3D graphics libraries and RGB-D cameras: for example, OpenGL and Kinect, respectively. We can regard them as two-dimensional (2D) cross-sectional images along the depth direction. The generation of CGHs from the 2D cross-sectional images requires multiple diffraction calculations. If we use convolution-based diffraction such as the angular spectrum method, the diffraction calculation takes a long time and requires large memory usage because the convolution diffraction calculation requires the expansion of the 2D cross-sectional images to avoid the wraparound noise. In this paper, we first describe the acceleration of the diffraction calculation using "Band-limited double-step Fresnel diffraction," which does not require the expansion. Next, we describe color CGH acceleration using color space conversion. In general, color CGHs are generated on RGB color space; however, we need to repeat the same calculation for each color component, so that the computational burden of the color CGH generation increases three-fold, compared with monochrome CGH generation. We can reduce the computational burden by using YCbCr color space because the 2D cross-sectional images on YCbCr color space can be down-sampled without the impairing of the image quality.

Numerical solution of nonlinear partial differential equations of mixed type. [finite difference approximation

NASA Technical Reports Server (NTRS)

Jameson, A.

1976-01-01

A review is presented of some recently developed numerical methods for the solution of nonlinear equations of mixed type. The methods considered use finite difference approximations to the differential equation. Central difference formulas are employed in the subsonic zone and upwind difference formulas are used in the supersonic zone. The relaxation method for the small disturbance equation is discussed and a description is given of difference schemes for the potential flow equation in quasi-linear form. Attention is also given to difference schemes for the potential flow equation in conservation form, the analysis of relaxation schemes by the time dependent analogy, the accelerated iterative method, and three-dimensional calculations.

An efficient finite element technique for sound propagation in axisymmetric hard wall ducts carrying high subsonic Mach number flows

NASA Technical Reports Server (NTRS)

Tag, I. A.; Lumsdaine, E.

1978-01-01

The general non-linear three-dimensional equation for acoustic potential is derived by using a perturbation technique. The linearized axisymmetric equation is then solved by using a finite element algorithm based on the Galerkin formulation for a harmonic time dependence. The solution is carried out in complex number notation for the acoustic velocity potential. Linear, isoparametric, quadrilateral elements with non-uniform distribution across the duct section are implemented. The resultant global matrix is stored in banded form and solved by using a modified Gauss elimination technique. Sound pressure levels and acoustic velocities are calculated from post element solutions. Different duct geometries are analyzed and compared with experimental results.

Transport calculation of neutrons leaked to the surroundings of the facilities by the JCO criticality accident in Tokai-mura.

PubMed

Imanaka, T

2001-09-01

A transport calculation of the neutrons leaked to the environment by the JCO criticality accident was carried out based on three-dimensional geometrical models of the buildings within the JCO territory. Our work started from an initial step to simulate the leakage process of neutrons from the precipitation tank, and proceeded to a step to calculate the neutron propagation throughout the JCO facilities. The total fission number during the accident in the precipitation tank was evaluated to be 2.5 x 10(18) by comparing the calculated neutron-induced activities per 235U fission with the measured values in a stainless-steel net sample taken 2 m from the precipitation tank. Shield effects by various structures within the JCO facilities were evaluated by comparing the present results with a previous calculation using two-dimensional models which suppose a point source of the fission spectrum in the air above the ground without any shield structures. The shield effect by the precipitation tank, itself, was obtained to be a factor of 3. The shield factor by the conversion building varied between 1.1 and 2, depending on the direction from the building. The shield effect by the surrounding buildings within the JCO territory was between I and 5, also depending on the direction.

A Finite Element Projection Method for the Solution of Particle Transport Problems with Anisotropic Scattering.

DTIC Science & Technology

1984-07-01

piecewise constant energy dependence. This is a seven-dimensional problem with time dependence, three spatial and two angular or directional variables and...in extending the computer implementation of the method to time and energy dependent problems, and to solving and validating this technique on a...problems they have severe limitations. The Monte Carlo method, usually requires the use of many hours of expensive computer time , and for deep

A three-dimensional spin-diffusion model for micromagnetics

PubMed Central

Abert, Claas; Ruggeri, Michele; Bruckner, Florian; Vogler, Christoph; Hrkac, Gino; Praetorius, Dirk; Suess, Dieter

2015-01-01

We solve a time-dependent three-dimensional spin-diffusion model coupled to the Landau-Lifshitz-Gilbert equation numerically. The presented model is validated by comparison to two established spin-torque models: The model of Slonzewski that describes spin-torque in multi-layer structures in the presence of a fixed layer and the model of Zhang and Li that describes current driven domain-wall motion. It is shown that both models are incorporated by the spin-diffusion description, i.e., the nonlocal effects of the Slonzewski model are captured as well as the spin-accumulation due to magnetization gradients as described by the model of Zhang and Li. Moreover, the presented method is able to resolve the time dependency of the spin-accumulation. PMID:26442796

Implementation and Characterization of Three-Dimensional Particle-in-Cell Codes on Multiple-Instruction-Multiple-Data Massively Parallel Supercomputers

NASA Technical Reports Server (NTRS)

Lyster, P. M.; Liewer, P. C.; Decyk, V. K.; Ferraro, R. D.

1995-01-01

A three-dimensional electrostatic particle-in-cell (PIC) plasma simulation code has been developed on coarse-grain distributed-memory massively parallel computers with message passing communications. Our implementation is the generalization to three-dimensions of the general concurrent particle-in-cell (GCPIC) algorithm. In the GCPIC algorithm, the particle computation is divided among the processors using a domain decomposition of the simulation domain. In a three-dimensional simulation, the domain can be partitioned into one-, two-, or three-dimensional subdomains ("slabs," "rods," or "cubes") and we investigate the efficiency of the parallel implementation of the push for all three choices. The present implementation runs on the Intel Touchstone Delta machine at Caltech; a multiple-instruction-multiple-data (MIMD) parallel computer with 512 nodes. We find that the parallel efficiency of the push is very high, with the ratio of communication to computation time in the range 0.3%-10.0%. The highest efficiency (> 99%) occurs for a large, scaled problem with 64(sup 3) particles per processing node (approximately 134 million particles of 512 nodes) which has a push time of about 250 ns per particle per time step. We have also developed expressions for the timing of the code which are a function of both code parameters (number of grid points, particles, etc.) and machine-dependent parameters (effective FLOP rate, and the effective interprocessor bandwidths for the communication of particles and grid points). These expressions can be used to estimate the performance of scaled problems--including those with inhomogeneous plasmas--to other parallel machines once the machine-dependent parameters are known.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Felicelli, S.D.; Poirier, D.R.; Heinrich, J.C.

The formation of macrosegregation defects known as freckles was simulated using a three-dimensional finite element model that calculates the thermosolutal convection and macrosegregation during the dendritic solidification of multicomponent alloys. A recently introduced algorithm was used to calculate the complicated solidification path of alloys of many components, which can accommodate liquidus temperatures that are general functions of liquid concentrations. The calculations are started from an all-liquid state, and the growth of the mushy zone is followed in time. Simulations are started from an all-liquid state, and the growth of the mushy zone is followed in time. Simulations of a Ni-Al-Ta-Wmore » alloy were performed on a rectangular cylinder until complete solidification. The results reveal details of the formation of freckles not previously observed in two-dimensional simulations. Liquid plumes in the form of chimney convection emanate from channels within the mushy zone, with similar qualitative features previously observed in transparent systems. Associated with the formation of channels, there is a complex three-dimensional flow produced by the interaction of the different solutal buoyancies of the alloy solutes. Regions of enhanced solid growth develop around the channel mouths, which are visualized as volcanoes on top of the mushy zone. The prediction of volcanoes differs from previous calculations with multicomponent alloys in two dimensions, in which the volcanoes were not nearly as apparent. These and other features of freckle formation phenomena are illustrated.« less

Uncertainty in peat volume and soil carbon estimated using ground-penetrating radar and probing

Treesearch

Andrew D. Parsekian; Lee Slater; Dimitrios Ntarlagiannis; James Nolan; Stephen D. Sebestyen; Randall K. Kolka; Paul J. Hanson

2012-01-01

Estimating soil C stock in a peatland is highly dependent on accurate measurement of the peat volume. In this study, we evaluated the uncertainty in calculations of peat volume using high-resolution data to resolve the three-dimensional structure of a peat basin based on both direct (push probes) and indirect geophysical (ground-penetrating radar) measurements. We...

Bulk dynamics of Brownian hard disks: Dynamical density functional theory versus experiments on two-dimensional colloidal hard spheres

NASA Astrophysics Data System (ADS)

Stopper, Daniel; Thorneywork, Alice L.; Dullens, Roel P. A.; Roth, Roland

2018-03-01

Using dynamical density functional theory (DDFT), we theoretically study Brownian self-diffusion and structural relaxation of hard disks and compare to experimental results on quasi two-dimensional colloidal hard spheres. To this end, we calculate the self-van Hove correlation function and distinct van Hove correlation function by extending a recently proposed DDFT-approach for three-dimensional systems to two dimensions. We find that the theoretical results for both self-part and distinct part of the van Hove function are in very good quantitative agreement with the experiments up to relatively high fluid packing fractions of roughly 0.60. However, at even higher densities, deviations between the experiment and the theoretical approach become clearly visible. Upon increasing packing fraction, in experiments, the short-time self-diffusive behavior is strongly affected by hydrodynamic effects and leads to a significant decrease in the respective mean-squared displacement. By contrast, and in accordance with previous simulation studies, the present DDFT, which neglects hydrodynamic effects, shows no dependence on the particle density for this quantity.

VNAP2: A Computer Program for Computation of Two-dimensional, Time-dependent, Compressible, Turbulent Flow

NASA Technical Reports Server (NTRS)

Cline, M. C.

1981-01-01

A computer program, VNAP2, for calculating turbulent (as well as laminar and inviscid), steady, and unsteady flow is presented. It solves the two dimensional, time dependent, compressible Navier-Stokes equations. The turbulence is modeled with either an algebraic mixing length model, a one equation model, or the Jones-Launder two equation model. The geometry may be a single or a dual flowing stream. The interior grid points are computed using the unsplit MacCormack scheme. Two options to speed up the calculations for high Reynolds number flows are included. The boundary grid points are computed using a reference plane characteristic scheme with the viscous terms treated as source functions. An explicit artificial viscosity is included for shock computations. The fluid is assumed to be a perfect gas. The flow boundaries may be arbitrary curved solid walls, inflow/outflow boundaries, or free jet envelopes. Typical problems that can be solved concern nozzles, inlets, jet powered afterbodies, airfoils, and free jet expansions. The accuracy and efficiency of the program are shown by calculations of several inviscid and turbulent flows. The program and its use are described completely, and six sample cases and a code listing are included.

Implementation of a 3D mixing layer code on parallel computers

NASA Technical Reports Server (NTRS)

Roe, K.; Thakur, R.; Dang, T.; Bogucz, E.

1995-01-01

This paper summarizes our progress and experience in the development of a Computational-Fluid-Dynamics code on parallel computers to simulate three-dimensional spatially-developing mixing layers. In this initial study, the three-dimensional time-dependent Euler equations are solved using a finite-volume explicit time-marching algorithm. The code was first programmed in Fortran 77 for sequential computers. The code was then converted for use on parallel computers using the conventional message-passing technique, while we have not been able to compile the code with the present version of HPF compilers.

Calculation of unsteady aerodynamics for four AGARD standard aeroelastic configurations

NASA Technical Reports Server (NTRS)

Bland, S. R.; Seidel, D. A.

1984-01-01

Calculated unsteady aerodynamic characteristics for four Advisory Group for Aeronautical Research Development (AGARD) standard aeroelastic two-dimensional airfoils and for one of the AGARD three-dimensional wings are reported. Calculations were made using the finite-difference codes XTRAN2L (two-dimensional flow) and XTRAN3S (three-dimensional flow) which solve the transonic small disturbance potential equations. Results are given for the 36 AGARD cases for the NACA 64A006, NACA 64A010, and NLR 7301 airfoils with experimental comparisons for most of these cases. Additionally, six of the MBB-A3 airfoil cases are included. Finally, results are given for three of the cases for the rectangular wing.

Real-time vibration measurement by a spatial phase-shifting technique with a tilted holographic interferogram.

PubMed

Nakadate, S; Isshiki, M

1997-01-01

Real-time vibration measurement by a tilted holographic interferogram is presented that utilizes the real-time digital fringe processor of a video signal. Three intensity data sampled at every one-third of the fringe spacing of the tilted fringes are used to calculate the modulation term of the fringe that is a function of a vibration amplitude. A three-dimensional lookup table performs the calculation in a TV repetition rate to give a new fringe profile that contours the vibration amplitude. Vibration modes at the resonant frequencies of a flat speaker were displayed on a monitor as changing the exciting frequency of vibration.

Solution of the one-dimensional consolidation theory equation with a pseudospectral method

USGS Publications Warehouse

Sepulveda, N.; ,

1991-01-01

The one-dimensional consolidation theory equation is solved for an aquifer system using a pseudospectral method. The spatial derivatives are computed using Fast Fourier Transforms and the time derivative is solved using a fourth-order Runge-Kutta scheme. The computer model calculates compaction based on the void ratio changes accumulated during the simulated periods of time. Compactions and expansions resulting from groundwater withdrawals and recharges are simulated for two observation wells in Santa Clara Valley and two in San Joaquin Valley, California. Field data previously published are used to obtain mean values for the soil grain density and the compression index and to generate depth-dependent profiles for hydraulic conductivity and initial void ratio. The water-level plots for the wells studied were digitized and used to obtain the time dependent profiles of effective stress.

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction

NASA Astrophysics Data System (ADS)

Khazaei, Somayeh; Sebastiani, Daniel

2017-11-01

We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction.

PubMed

Khazaei, Somayeh; Sebastiani, Daniel

2017-11-21

We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

Calculation of three-dimensional compressible laminar and turbulent boundary flows. Three-dimensional compressible boundary layers of reacting gases over realistic configurations

NASA Technical Reports Server (NTRS)

Kendall, R. M.; Bonnett, W. S.; Nardo, C. T.; Abbett, M. J.

1975-01-01

A three-dimensional boundary-layer code was developed for particular application to realistic hypersonic aircraft. It is very general and can be applied to a wide variety of boundary-layer flows. Laminar, transitional, and fully turbulent flows of compressible, reacting gases are efficiently calculated by use of the code. A body-oriented orthogonal coordinate system is used for the calculation and the user has complete freedom in specifying the coordinate system within the restrictions that one coordinate must be normal to the surface and the three coordinates must be mutually orthogonal.

Numerical solutions of Navier-Stokes equations for compressible turbulent two/three dimensional flows in terminal shock region of an inlet/diffuser

NASA Technical Reports Server (NTRS)

Liu, N. S.; Shamroth, S. J.; Mcdonald, H.

1983-01-01

The multidimensional ensemble averaged compressible time dependent Navier Stokes equations in conjunction with mixing length turbulence model and shock capturing technique were used to study the terminal shock type of flows in various flight regimes occurring in a diffuser/inlet model. The numerical scheme for solving the governing equations is based on a linearized block implicit approach and the following high Reynolds number calculations were carried out: (1) 2 D, steady, subsonic; (2) 2 D, steady, transonic with normal shock; (3) 2 D, steady, supersonic with terminal shock; (4) 2 D, transient process of shock development and (5) 3 D, steady, transonic with normal shock. The numerical results obtained for the 2 D and 3 D transonic shocked flows were compared with corresponding experimental data; the calculated wall static pressure distributions agree well with the measured data.

Interrelated Dimensional Chains in Predicting Accuracy of Turbine Wheel Assembly Parameters

NASA Astrophysics Data System (ADS)

Yanyukina, M. V.; Bolotov, M. A.; Ruzanov, N. V.

2018-03-01

The working capacity of any device primarily depends on the assembly accuracy which, in its turn, is determined by the quality of each part manufactured, i.e., the degree of conformity between final geometrical parameters and the set ones. However, the assembly accuracy depends not only on a qualitative manufacturing process but also on the assembly process correctness. In this connection, there were preliminary calculations of assembly stages in terms of conformity to real geometrical parameters with their permissible values. This task is performed by means of the calculation of dimensional chains. The calculation of interrelated dimensional chains in the aircraft industry requires particular attention. The article considers the issues of dimensional chain calculation modelling by the example of the turbine wheel assembly process. The authors described the solution algorithm in terms of mathematical statistics implemented in Matlab. The paper demonstrated the results of a dimensional chain calculation for a turbine wheel in relation to the draw of turbine blades to the shroud ring diameter. Besides, the article provides the information on the influence of a geometrical parameter tolerance for the dimensional chain link elements on a closing one.

TIME-DEPENDENT MULTI-GROUP MULTI-DIMENSIONAL RELATIVISTIC RADIATIVE TRANSFER CODE BASED ON SPHERICAL HARMONIC DISCRETE ORDINATE METHOD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tominaga, Nozomu; Shibata, Sanshiro; Blinnikov, Sergei I., E-mail: tominaga@konan-u.ac.jp, E-mail: sshibata@post.kek.jp, E-mail: Sergei.Blinnikov@itep.ru

We develop a time-dependent, multi-group, multi-dimensional relativistic radiative transfer code, which is required to numerically investigate radiation from relativistic fluids that are involved in, e.g., gamma-ray bursts and active galactic nuclei. The code is based on the spherical harmonic discrete ordinate method (SHDOM) which evaluates a source function including anisotropic scattering in spherical harmonics and implicitly solves the static radiative transfer equation with ray tracing in discrete ordinates. We implement treatments of time dependence, multi-frequency bins, Lorentz transformation, and elastic Thomson and inelastic Compton scattering to the publicly available SHDOM code. Our code adopts a mixed-frame approach; the source functionmore » is evaluated in the comoving frame, whereas the radiative transfer equation is solved in the laboratory frame. This implementation is validated using various test problems and comparisons with the results from a relativistic Monte Carlo code. These validations confirm that the code correctly calculates the intensity and its evolution in the computational domain. The code enables us to obtain an Eddington tensor that relates the first and third moments of intensity (energy density and radiation pressure) and is frequently used as a closure relation in radiation hydrodynamics calculations.« less

User's manual for three dimensional FDTD version B code for scattering from frequency-dependent dielectric materials

NASA Technical Reports Server (NTRS)

Beggs, John H.; Luebbers, Raymond J.; Kunz, Karl S.

1992-01-01

The Penn State Finite Difference Time Domain Electromagnetic Code Version B is a three dimensional numerical electromagnetic scattering code based upon the Finite Difference Time Domain Technique (FDTD). The supplied version of the code is one version of our current three dimensional FDTD code set. This manual provides a description of the code and corresponding results for several scattering problems. The manual is organized into 14 sections: introduction, description of the FDTD method, operation, resource requirements, Version B code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include file, a discussion of radar cross section computations, a discussion of some scattering results, a sample problem setup section, a new problem checklist, references and figure titles.

A 3D particle Monte Carlo approach to studying nucleation

NASA Astrophysics Data System (ADS)

Köhn, Christoph; Enghoff, Martin Bødker; Svensmark, Henrik

2018-06-01

The nucleation of sulphuric acid molecules plays a key role in the formation of aerosols. We here present a three dimensional particle Monte Carlo model to study the growth of sulphuric acid clusters as well as its dependence on the ambient temperature and the initial particle density. We initiate a swarm of sulphuric acid-water clusters with a size of 0.329 nm with densities between 107 and 108 cm-3 at temperatures between 200 and 300 K and a relative humidity of 50%. After every time step, we update the position of particles as a function of size-dependent diffusion coefficients. If two particles encounter, we merge them and add their volumes and masses. Inversely, we check after every time step whether a polymer evaporates liberating a molecule. We present the spatial distribution as well as the size distribution calculated from individual clusters. We also calculate the nucleation rate of clusters with a radius of 0.85 nm as a function of time, initial particle density and temperature. The nucleation rates obtained from the presented model agree well with experimentally obtained values and those of a numerical model which serves as a benchmark of our code. In contrast to previous nucleation models, we here present for the first time a code capable of tracing individual particles and thus of capturing the physics related to the discrete nature of particles.

Multigrid calculation of three-dimensional turbomachinery flows

NASA Technical Reports Server (NTRS)

Caughey, David A.

1989-01-01

Research was performed in the general area of computational aerodynamics, with particular emphasis on the development of efficient techniques for the solution of the Euler and Navier-Stokes equations for transonic flows through the complex blade passages associated with turbomachines. In particular, multigrid methods were developed, using both explicit and implicit time-stepping schemes as smoothing algorithms. The specific accomplishments of the research have included: (1) the development of an explicit multigrid method to solve the Euler equations for three-dimensional turbomachinery flows based upon the multigrid implementation of Jameson's explicit Runge-Kutta scheme (Jameson 1983); (2) the development of an implicit multigrid scheme for the three-dimensional Euler equations based upon lower-upper factorization; (3) the development of a multigrid scheme using a diagonalized alternating direction implicit (ADI) algorithm; (4) the extension of the diagonalized ADI multigrid method to solve the Euler equations of inviscid flow for three-dimensional turbomachinery flows; and also (5) the extension of the diagonalized ADI multigrid scheme to solve the Reynolds-averaged Navier-Stokes equations for two-dimensional turbomachinery flows.

Generalized three-dimensional simulation of ferruled coupled-cavity traveling-wave-tube dispersion and impedance characteristics

NASA Technical Reports Server (NTRS)

Maruschek, Joseph W.; Kory, Carol L.; Wilson, Jeffrey D.

1993-01-01

The frequency-phase dispersion and Pierce on-axis interaction impedance of a ferruled, coupled-cavity, traveling-wave tube (TWT), slow-wave circuit were calculated using the three-dimensional simulation code Micro-SOS. The utilization of the code to reduce costly and time-consuming experimental cold tests is demonstrated by the accuracy achieved in calculating these parameters. A generalized input file was developed so that ferruled coupled-cavity TWT slow-wave circuits of arbitrary dimensions could be easily modeled. The practicality of the generalized input file was tested by applying it to the ferruled coupled-cavity slow-wave circuit of the Hughes Aircraft Company model 961HA TWT and by comparing the results with experimental results.

Three-dimensional transient thermoelectric currents in deep penetration laser welding of austenite stainless steel

NASA Astrophysics Data System (ADS)

Chen, Xin; Pang, Shengyong; Shao, Xinyu; Wang, Chunming; Xiao, Jianzhong; Jiang, Ping

2017-04-01

The existence of thermoelectric currents (TECs) in workpieces during the laser welding of metals has been common knowledge for more than 15 years. However, the time-dependent evolutions of TECs in laser welding remain unclear. The present study developed a novel three-dimensional theoretical model of thermoelectric phenomena in the fiber laser welding of austenite stainless steel and used it to observe the time-dependent evolutions of TECs for the first time. Our model includes the complex physical effects of thermal, electromagnetic, fluid and phase transformation dynamics occurring at the millimeter laser ablated zone, which allowed us to simulate the TEC, self-induced magnetic field, Lorentz force, keyhole and weld pool behaviors varying with the welding time for different parameters. We found that TECs are truly three-dimensional, time-dependent, and uneven with a maximum current density of around 107 A/m2 located at the liquid-solid (L/S) interface near the front or bottom part of the keyhole at a laser power of 1.5 kW and a welding speed of 3 m/min. The TEC formed three-dimensional circulations moving from the melting front to solidification front in the solid part of workpiece, after which the contrary direction was followed in the liquid part. High frequency oscillation characteristics (2.2-8.5 kHz) were demonstrated in the TEC, which coincides with that of the keyhole instability (2.0-5.0 kHz). The magnitude of the self-induced magnetic field and Lorentz force can reach 0.1 mT and 1 kN/m3, respectively, which are both consistent with literature data. The predicted results of the weld dimensions by the proposed model agree well with the experimental results. Our findings could enhance the fundamental understanding of thermoelectric phenomena in laser welding.

Separation behavior of boundary layers on three-dimensional wings

NASA Technical Reports Server (NTRS)

Stock, H. W.

1981-01-01

An inverse boundary layer procedure for calculating separated, turbulent boundary layers at infinitely long, crabbing wing was developed. The procedure was developed for calculating three dimensional, incompressible turbulent boundary layers was expanded to adiabatic, compressible flows. Example calculations with transsonic wings were made including viscose effects. In this case an approximated calculation method described for areas of separated, turbulent boundary layers, permitting calculation of this displacement thickness. The laminar boundary layer development was calculated with inclined ellipsoids.

Comparison of two- and three-dimensional Navier-Stokes solutions with NASA experimental data for CAST-10 airfoil

NASA Technical Reports Server (NTRS)

Swanson, R. Charles; Radespiel, Rolf; Mccormick, V. Edward

1989-01-01

The two-dimensional (2-D) and three-dimensional Navier-Stokes equations are solved for flow over a NAE CAST-10 airfoil model. Recently developed finite-volume codes that apply a multistage time stepping scheme in conjunction with steady state acceleration techniques are used to solve the equations. Two-dimensional results are shown for flow conditions uncorrected and corrected for wind tunnel wall interference effects. Predicted surface pressures from 3-D simulations are compared with those from 2-D calculations. The focus of the 3-D computations is the influence of the sidewall boundary layers. Topological features of the 3-D flow fields are indicated. Lift and drag results are compared with experimental measurements.

Correlation between discrete probability and reaction front propagation rate in heterogeneous mixtures

NASA Astrophysics Data System (ADS)

Naine, Tarun Bharath; Gundawar, Manoj Kumar

2017-09-01

We demonstrate a very powerful correlation between the discrete probability of distances of neighboring cells and thermal wave propagation rate, for a system of cells spread on a one-dimensional chain. A gamma distribution is employed to model the distances of neighboring cells. In the absence of an analytical solution and the differences in ignition times of adjacent reaction cells following non-Markovian statistics, invariably the solution for thermal wave propagation rate for a one-dimensional system with randomly distributed cells is obtained by numerical simulations. However, such simulations which are based on Monte-Carlo methods require several iterations of calculations for different realizations of distribution of adjacent cells. For several one-dimensional systems, differing in the value of shaping parameter of the gamma distribution, we show that the average reaction front propagation rates obtained by a discrete probability between two limits, shows excellent agreement with those obtained numerically. With the upper limit at 1.3, the lower limit depends on the non-dimensional ignition temperature. Additionally, this approach also facilitates the prediction of burning limits of heterogeneous thermal mixtures. The proposed method completely eliminates the need for laborious, time intensive numerical calculations where the thermal wave propagation rates can now be calculated based only on macroscopic entity of discrete probability.

Shock-jump conditions in a general medium: weak-solution approach

NASA Astrophysics Data System (ADS)

Forbes, L. K.; Krzysik, O. A.

2017-05-01

General conservation laws are considered, and the concept of a weak solution is extended to the case of an equation involving three space variables and time. Four-dimensional vector calculus is used to develop general jump conditions at a shock wave in the material. To illustrate the use of this result, jump conditions at a shock in unsteady three-dimensional compressible gas flow are presented. It is then proved rigorously that these reduce to the commonly assumed conditions in coordinates normal and tangential to the shock face. A similar calculation is also outlined for an unsteady three-dimensional shock in magnetohydrodynamics, and in a chemically reactive fluid. The technique is available for determining shock-jump conditions in quite general continuous media.

Resonance phenomena in a time-dependent, three-dimensional model of an idealized eddy

NASA Astrophysics Data System (ADS)

Rypina, I. I.; Pratt, L. J.; Wang, P.; Äe; -zgökmen, T. M.; Mezic, I.

2015-08-01

We analyze the geometry of Lagrangian motion and material barriers in a time-dependent, three-dimensional, Ekman-driven, rotating cylinder flow, which serves as an idealization for an isolated oceanic eddy and other overturning cells with cylindrical geometry in the ocean and atmosphere. The flow is forced at the top through an oscillating upper lid, and the response depends on the frequency and amplitude of lid oscillations. In particular, the Lagrangian geometry changes near the resonant tori of the unforced flow, whose frequencies are rationally related to the forcing frequencies. Multi-scale analytical expansions are used to simplify the flow in the vicinity of resonant trajectories and to investigate the resonant flow geometries. The resonance condition and scaling can be motivated by simple physical argument. The theoretically predicted flow geometries near resonant trajectories have then been confirmed through numerical simulations in a phenomenological model and in a full solution of the Navier-Stokes equations.

Three-dimensional modeling of tea-shoots using images and models.

PubMed

Wang, Jian; Zeng, Xianyin; Liu, Jianbing

2011-01-01

In this paper, a method for three-dimensional modeling of tea-shoots with images and calculation models is introduced. The process is as follows: the tea shoots are photographed with a camera, color space conversion is conducted, using an improved algorithm that is based on color and regional growth to divide the tea shoots in the images, and the edges of the tea shoots extracted with the help of edge detection; after that, using the divided tea-shoot images, the three-dimensional coordinates of the tea shoots are worked out and the feature parameters extracted, matching and calculation conducted according to the model database, and finally the three-dimensional modeling of tea-shoots is completed. According to the experimental results, this method can avoid a lot of calculations and has better visual effects and, moreover, performs better in recovering the three-dimensional information of the tea shoots, thereby providing a new method for monitoring the growth of and non-destructive testing of tea shoots.

Statistics of Advective Stretching in Three-dimensional Incompressible Flows

NASA Astrophysics Data System (ADS)

Subramanian, Natarajan; Kellogg, Louise H.; Turcotte, Donald L.

2009-09-01

We present a method to quantify kinematic stretching in incompressible, unsteady, isoviscous, three-dimensional flows. We extend the method of Kellogg and Turcotte (J. Geophys. Res. 95:421-432, 1990) to compute the axial stretching/thinning experienced by infinitesimal ellipsoidal strain markers in arbitrary three-dimensional incompressible flows and discuss the differences between our method and the computation of Finite Time Lyapunov Exponent (FTLE). We use the cellular flow model developed in Solomon and Mezic (Nature 425:376-380, 2003) to study the statistics of stretching in a three-dimensional unsteady cellular flow. We find that the probability density function of the logarithm of normalised cumulative stretching (log S) for a globally chaotic flow, with spatially heterogeneous stretching behavior, is not Gaussian and that the coefficient of variation of the Gaussian distribution does not decrease with time as t^{-1/2} . However, it is observed that stretching becomes exponential log S˜ t and the probability density function of log S becomes Gaussian when the time dependence of the flow and its three-dimensionality are increased to make the stretching behaviour of the flow more spatially uniform. We term these behaviors weak and strong chaotic mixing respectively. We find that for strongly chaotic mixing, the coefficient of variation of the Gaussian distribution decreases with time as t^{-1/2} . This behavior is consistent with a random multiplicative stretching process.

Viscous-inviscid interaction method including wake effects for three-dimensional wing-body configurations

NASA Technical Reports Server (NTRS)

Streett, C. L.

1981-01-01

A viscous-inviscid interaction method has been developed by using a three-dimensional integral boundary-layer method which produces results in good agreement with a finite-difference method in a fraction of the computer time. The integral method is stable and robust and incorporates a model for computation in a small region of streamwise separation. A locally two-dimensional wake model, accounting for thickness and curvature effects, is also included in the interaction procedure. Computation time spent in converging an interacted result is, many times, only slightly greater than that required to converge an inviscid calculation. Results are shown from the interaction method, run at experimental angle of attack, Reynolds number, and Mach number, on a wing-body test case for which viscous effects are large. Agreement with experiment is good; in particular, the present wake model improves prediction of the spanwise lift distribution and lower surface cove pressure.

Detection of weak signals through nonlinear relaxation times for a Brownian particle in an electromagnetic field.

PubMed

Jiménez-Aquino, J I; Romero-Bastida, M

2011-07-01

The detection of weak signals through nonlinear relaxation times for a Brownian particle in an electromagnetic field is studied in the dynamical relaxation of the unstable state, characterized by a two-dimensional bistable potential. The detection process depends on a dimensionless quantity referred to as the receiver output, calculated as a function of the nonlinear relaxation time and being a characteristic time scale of our system. The latter characterizes the complete dynamical relaxation of the Brownian particle as it relaxes from the initial unstable state of the bistable potential to its corresponding steady state. The one-dimensional problem is also studied to complement the description.

The path integral on the pseudosphere

NASA Astrophysics Data System (ADS)

Grosche, C.; Steiner, F.

1988-02-01

A rigorous path integral treatment for the d-dimensional pseudosphere Λd-1 , a Riemannian manifold of constant negative curvature, is presented. The path integral formulation is based on a canonical approach using Weyl-ordering and the Hamiltonian path integral defined on midpoints. The time-dependent and energy-dependent Feynman kernels obtain different expressions in the even- and odd-dimensional cases, respectively. The special case of the three-dimensional pseudosphere, which is analytically equivalent to the Poincaré upper half plane, the Poincaré disc, and the hyperbolic strip, is discussed in detail including the energy spectrum and the normalised wave-functions.

In-Situ Three-Dimensional Shape Rendering from Strain Values Obtained Through Optical Fiber Sensors

NASA Technical Reports Server (NTRS)

Chan, Hon Man (Inventor); Parker, Jr., Allen R. (Inventor)

2015-01-01

A method and system for rendering the shape of a multi-core optical fiber or multi-fiber bundle in three-dimensional space in real time based on measured fiber strain data. Three optical fiber cores arc arranged in parallel at 120.degree. intervals about a central axis. A series of longitudinally co-located strain sensor triplets, typically fiber Bragg gratings, are positioned along the length of each fiber at known intervals. A tunable laser interrogates the sensors to detect strain on the fiber cores. Software determines the strain magnitude (.DELTA.L/L) for each fiber at a given triplet, but then applies beam theory to calculate curvature, beading angle and torsion of the fiber bundle, and from there it determines the shape of the fiber in s Cartesian coordinate system by solving a series of ordinary differential equations expanded from the Frenet-Serrat equations. This approach eliminates the need for computationally time-intensive curve-tilting and allows the three-dimensional shape of the optical fiber assembly to be displayed in real-time.

Double ionization of neon in elliptically polarized femtosecond laser fields

NASA Astrophysics Data System (ADS)

Kang, HuiPeng; Henrichs, Kevin; Wang, YanLan; Hao, XiaoLei; Eckart, Sebastian; Kunitski, Maksim; Schöffler, Markus; Jahnke, Till; Liu, XiaoJun; Dörner, Reinhard

2018-06-01

We present a joint experimental and theoretical investigation of the correlated electron momentum spectra from strong-field double ionization of neon induced by elliptically polarized laser pulses. A significant asymmetry of the electron momentum distributions along the major polarization axis is reported. This asymmetry depends sensitively on the laser ellipticity. Using a three-dimensional semiclassical model, we attribute this asymmetry pattern to the ellipticity-dependent probability distributions of recollision time. Our work demonstrates that, by simply varying the ellipticity, the correlated electron emission can be two-dimensionally controlled and the recolliding electron trajectories can be steered on a subcycle time scale.

Time-sliced perturbation theory for large scale structure I: general formalism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blas, Diego; Garny, Mathias; Sibiryakov, Sergey

2016-07-01

We present a new analytic approach to describe large scale structure formation in the mildly non-linear regime. The central object of the method is the time-dependent probability distribution function generating correlators of the cosmological observables at a given moment of time. Expanding the distribution function around the Gaussian weight we formulate a perturbative technique to calculate non-linear corrections to cosmological correlators, similar to the diagrammatic expansion in a three-dimensional Euclidean quantum field theory, with time playing the role of an external parameter. For the physically relevant case of cold dark matter in an Einstein-de Sitter universe, the time evolution ofmore » the distribution function can be found exactly and is encapsulated by a time-dependent coupling constant controlling the perturbative expansion. We show that all building blocks of the expansion are free from spurious infrared enhanced contributions that plague the standard cosmological perturbation theory. This paves the way towards the systematic resummation of infrared effects in large scale structure formation. We also argue that the approach proposed here provides a natural framework to account for the influence of short-scale dynamics on larger scales along the lines of effective field theory.« less

Calculation methods for compressible turbulent boundary layers, 1976

NASA Technical Reports Server (NTRS)

Bushnell, D. M.; Cary, A. M., Jr.; Harris, J. E.

1977-01-01

Equations and closure methods for compressible turbulent boundary layers are discussed. Flow phenomena peculiar to calculation of these boundary layers were considered, along with calculations of three dimensional compressible turbulent boundary layers. Procedures for ascertaining nonsimilar two and three dimensional compressible turbulent boundary layers were appended, including finite difference, finite element, and mass-weighted residual methods.

Duct flow nonuniformities: Effect of struts in SSME HGM II(+)

NASA Technical Reports Server (NTRS)

Burke, Roger

1988-01-01

A numerical study, using the INS3D flow solver, of laminar and turbulent flow around a two dimensional strut, and three dimensional flow around a strut in an annulus is presented. A multi-block procedure was used to calculate two dimensional laminar flow around two struts in parallel, with each strut represented by one computational block. Single block calculations were performed for turbulent flow around a two dimensional strut, using a Baldwin-Lomax turbulence model to parameterize the turbulent shear stresses. A modified Baldwin-Lomax model was applied to the case of a three dimensional strut in an annulus. The results displayed the essential features of wing-body flows, including the presence of a horseshoe vortex system at the junction of the strut and the lower annulus surface. A similar system was observed at the upper annulus surface. The test geometries discussed were useful in developing the capability to perform multiblock calculations, and to simulate turbulent flow around obstructions located between curved walls. Both of these skills will be necessary to model the three dimensional flow in the strut assembly of the SSME. Work is now in progress on performing a three dimensional two block turbulent calculation of the flow in the turnaround duct (TAD) and strut/fuel bowl juncture region.

Verification and transfer of thermal pollution model. Volume 4: User's manual for three-dimensional rigid-lid model

NASA Technical Reports Server (NTRS)

Lee, S. S.; Nwadike, E. V.; Sinha, S. E.

1982-01-01

The theory of a three dimensional (3-D) mathematical thermal discharge model and a related one dimensional (1-D) model are described. Model verification at two sites, a separate user's manual for each model are included. The 3-D model has two forms: free surface and rigid lid. The former allows a free air/water interface and is suited for significant surface wave heights compared to mean water depth, estuaries and coastal regions. The latter is suited for small surface wave heights compared to depth because surface elevation was removed as a parameter. These models allow computation of time dependent velocity and temperature fields for given initial conditions and time-varying boundary conditions. The free surface model also provides surface height variations with time.

Three-dimensional unsteady lifting surface theory in the subsonic range

NASA Technical Reports Server (NTRS)

Kuessner, H. G.

1985-01-01

The methods of the unsteady lifting surface theory are surveyed. Linearized Euler's equations are simplified by means of a Galileo-Lorentz transformation and a Laplace transformation so that the time and the compressibility of the fluid are limited to two constants. The solutions to this simplified problem are represented as integrals with a differential nucleus; these results in tolerance conditions, for which any exact solution must suffice. It is shown that none of the existing three-dimensional lifting surface theories in subsonic range satisfy these conditions. An oscillating elliptic lifting surface which satisfies the tolerance conditions is calculated through the use of Lame's functions. Numerical examples are calculated for the borderline cases of infinitely stretched elliptic lifting surfaces and of circular lifting surfaces. Out of the harmonic solutions any such temporal changes of the down current are calculated through the use of an inverse Laplace transformation.

Oxygen concentration dependence of silicon oxide dynamical properties

NASA Astrophysics Data System (ADS)

Yajima, Yuji; Shiraishi, Kenji; Endoh, Tetsuo; Kageshima, Hiroyuki

2018-06-01

To understand oxidation in three-dimensional silicon, dynamic characteristics of a SiO x system with various stoichiometries were investigated. The calculated results show that the self-diffusion coefficient increases as oxygen density decreases, and the increase is large when the temperature is low. It also shows that the self-diffusion coefficient saturates, when the number of removed oxygen atoms is sufficiently large. Then, approximate analytical equations are derived from the calculated results, and the previously reported expression is confirmed in the extremely low-SiO-density range.

Unsteady thermal blooming of intense laser beams

NASA Astrophysics Data System (ADS)

Ulrich, J. T.; Ulrich, P. B.

1980-01-01

A four dimensional (three space plus time) computer program has been written to compute the nonlinear heating of a gas by an intense laser beam. Unsteady, transient cases are capable of solution and no assumption of a steady state need be made. The transient results are shown to asymptotically approach the steady-state results calculated by the standard three dimensional thermal blooming computer codes. The report discusses the physics of the laser-absorber interaction, the numerical approximation used, and comparisons with experimental data. A flowchart is supplied in the appendix to the report.

The prediction of three-dimensional liquid-propellant rocket nozzle admittances

NASA Technical Reports Server (NTRS)

Bell, W. A.; Zinn, B. T.

1973-01-01

Crocco's three-dimensional nozzle admittance theory is extended to be applicable when the amplitudes of the combustor and nozzle oscillations increase or decrease with time. An analytical procedure and a computer program for determining nozzle admittance values from the extended theory are presented and used to compute the admittances of a family of liquid-propellant rocket nozzles. The calculated results indicate that the nozzle geometry entrance Mach number and temporal decay coefficient significantly affect the nozzle admittance values. The theoretical predictions are shown to be in good agreement with available experimental data.

Performance of dental impression materials: Benchmarking of materials and techniques by three-dimensional analysis.

PubMed

Rudolph, Heike; Graf, Michael R S; Kuhn, Katharina; Rupf-Köhler, Stephanie; Eirich, Alfred; Edelmann, Cornelia; Quaas, Sebastian; Luthardt, Ralph G

2015-01-01

Among other factors, the precision of dental impressions is an important and determining factor for the fit of dental restorations. The aim of this study was to examine the three-dimensional (3D) precision of gypsum dies made using a range of impression techniques and materials. Ten impressions of a steel canine were fabricated for each of the 24 material-method-combinations and poured with type 4 die stone. The dies were optically digitized, aligned to the CAD model of the steel canine, and 3D differences were calculated. The results were statistically analyzed using one-way analysis of variance. Depending on material and impression technique, the mean values had a range between +10.9/-10.0 µm (SD 2.8/2.3) and +16.5/-23.5 µm (SD 11.8/18.8). Qualitative analysis using colorcoded graphs showed a characteristic location of deviations for different impression techniques. Three-dimensional analysis provided a comprehensive picture of the achievable precision. Processing aspects and impression technique were of significant influence.

A computer program for calculating laminar and turbulent boundary layers for two-dimensional time-dependent flows

NASA Technical Reports Server (NTRS)

Cebeci, T.; Carr, L. W.

1978-01-01

A computer program is described which provides solutions of two dimensional equations appropriate to laminar and turbulent boundary layers for boundary conditions with an external flow which fluctuates in magnitude. The program is based on the numerical solution of the governing boundary layer equations by an efficient two point finite difference method. An eddy viscosity formulation was used to model the Reynolds shear stress term. The main features of the method are briefly described and instructions for the computer program with a listing are provided. Sample calculations to demonstrate its usage and capabilities for laminar and turbulent unsteady boundary layers with an external flow which fluctuated in magnitude are presented.

The fast neutron fluence and the activation detector activity calculations using the effective source method and the adjoint function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hep, J.; Konecna, A.; Krysl, V.

2011-07-01

This paper describes the application of effective source in forward calculations and the adjoint method to the solution of fast neutron fluence and activation detector activities in the reactor pressure vessel (RPV) and RPV cavity of a VVER-440 reactor. Its objective is the demonstration of both methods on a practical task. The effective source method applies the Boltzmann transport operator to time integrated source data in order to obtain neutron fluence and detector activities. By weighting the source data by time dependent decay of the detector activity, the result of the calculation is the detector activity. Alternatively, if the weightingmore » is uniform with respect to time, the result is the fluence. The approach works because of the inherent linearity of radiation transport in non-multiplying time-invariant media. Integrated in this way, the source data are referred to as the effective source. The effective source in the forward calculations method thereby enables the analyst to replace numerous intensive transport calculations with a single transport calculation in which the time dependence and magnitude of the source are correctly represented. In this work, the effective source method has been expanded slightly in the following way: neutron source data were performed with few group method calculation using the active core calculation code MOBY-DICK. The follow-up neutron transport calculation was performed using the neutron transport code TORT to perform multigroup calculations. For comparison, an alternative method of calculation has been used based upon adjoint functions of the Boltzmann transport equation. Calculation of the three-dimensional (3-D) adjoint function for each required computational outcome has been obtained using the deterministic code TORT and the cross section library BGL440. Adjoint functions appropriate to the required fast neutron flux density and neutron reaction rates have been calculated for several significant points within the RPV and RPV cavity of the VVER-440 reacto rand located axially at the position of maximum power and at the position of the weld. Both of these methods (the effective source and the adjoint function) are briefly described in the present paper. The paper also describes their application to the solution of fast neutron fluence and detectors activities for the VVER-440 reactor. (authors)« less

Time-dependent Ionization in a Steady Flow in an MHD Model of the Solar Corona and Wind

NASA Astrophysics Data System (ADS)

Shen, Chengcai; Raymond, John C.; Mikić, Zoran; Linker, Jon A.; Reeves, Katharine K.; Murphy, Nicholas A.

2017-11-01

Time-dependent ionization is important for diagnostics of coronal streamers and pseudostreamers. We describe time-dependent ionization calculations for a three-dimensional magnetohydrodynamic (MHD) model of the solar corona and inner heliosphere. We analyze how non-equilibrium ionization (NEI) influences emission from a pseudostreamer during the Whole Sun Month interval (Carrington rotation CR1913, 1996 August 22 to September 18). We use a time-dependent code to calculate NEI states, based on the plasma temperature, density, velocity, and magnetic field in the MHD model, to obtain the synthetic emissivities and predict the intensities of the Lyα, O VI, Mg x, and Si xii emission lines observed by the SOHO/Ultraviolet Coronagraph Spectrometer (UVCS). At low coronal heights, the predicted intensity profiles of both Lyα and O VI lines match UVCS observations well, but the Mg x and Si xii emission are predicted to be too bright. At larger heights, the O VI and Mg x lines are predicted to be brighter for NEI than equilibrium ionization around this pseudostreamer, and Si xii is predicted to be fainter for NEI cases. The differences of predicted UVCS intensities between NEI and equilibrium ionization are around a factor of 2, but neither matches the observed intensity distributions along the full length of the UVCS slit. Variations in elemental abundances in closed field regions due to the gravitational settling and the FIP effect may significantly contribute to the predicted uncertainty. The assumption of Maxwellian electron distributions and errors in the magnetic field on the solar surface may also have notable effects on the mismatch between observations and model predictions.

MeltMigrator: A MATLAB-based software for modeling three-dimensional melt migration and crustal thickness variations at mid-ocean ridges following a rules-based approach

NASA Astrophysics Data System (ADS)

Bai, Hailong; Montési, Laurent G. J.; Behn, Mark D.

2017-01-01

MeltMigrator is a MATLAB®-based melt migration software developed to process three-dimensional mantle temperature and velocity data from user-supplied numerical models of mid-ocean ridges, calculate melt production and melt migration trajectories in the mantle, estimate melt flux along plate boundaries, and predict crustal thickness distribution on the seafloor. MeltMigrator is also capable of calculating compositional evolution depending on the choice of petrologic melting model. Programmed in modules, MeltMigrator is highly customizable and can be expanded to a wide range of applications. We have applied it to complex mid-ocean ridge model settings, including transform faults, oblique segments, ridge migration, asymmetrical spreading, background mantle flow, and ridge-plume interaction. In this technical report, we include an example application to a segmented mid-ocean ridge. MeltMigrator is available as a supplement to this paper, and it is also available from GitHub and the University of Maryland Geodynamics Group website.

Three-Dimensional Field Solutions for Multi-Pole Cylindrical Halbach Arrays in an Axial Orientation

NASA Technical Reports Server (NTRS)

Thompson, William K.

2006-01-01

This article presents three-dimensional B field solutions for the cylindrical Halbach array in an axial orientation. This arrangement has applications in the design of axial motors and passive axial magnetic bearings and couplers. The analytical model described here assumes ideal magnets with fixed and uniform magnetization. The field component functions are expressed as sums of 2-D definite integrals that are easily computed by a number of mathematical analysis software packages. The analysis is verified with sample calculations and the results are compared to equivalent results from traditional finite-element analysis (FEA). The field solutions are then approximated for use in flux linkage and induced EMF calculations in nearby stator windings by expressing the field variance with angular displacement as pure sinusoidal function whose amplitude depends on radial and axial position. The primary advantage of numerical implementation of the analytical approach presented in the article is that it lends itself more readily to parametric analysis and design tradeoffs than traditional FEA models.

An Analytical Finite-Strain Parameterization for Texture Evolution in Deformed Olivine Polycrystals

NASA Astrophysics Data System (ADS)

Ribe, N. M.; Castelnau, O.

2017-12-01

Current methods for calculating the evolution of flow-induced seismic anisotropy in the upper mantle describe crystal preferred orientation (CPO) using ensembles of 103-104 individual grains, and are too computationally expensive to be used in three-dimensional time-dependent convection models. We propose a much faster method based on the hypothesis that CPO of olivine polycrystals is a unique function of the finite strain. Our goal is then to determine how the CPO depends on the ratios r12 and r23 of the axes of the finite strain ellipsoid and on the two independent ratios p12 and p23 of the strengths (critical resolved shear stresses) of the three independent slip systems of olivine. To do this, we introduce a new analytical representation of olivine CPO in terms of three `structured basis functions' (SBFs) Fs(g, r12, r23) (s = 1, 2, 3), where g is the set of three Eulerian angles that describe the orientation of a crystal lattice relative to an external reference frame. Each SBF represents the virtual CPO that would be produced by the action of only one of the slip systems of olivine, and can be determined analytically to within an unknown time-dependent amplitude. The amplitudes are then determined by fitting the SBFs to the predictions of the second-order self-consistent (SOSC) model of Ponte-Castaneda (2002). To implement the SBF representation, we express the orientation distribution function (ODF) f(g) of the polycrystal approximately as a linear superposition of SBFs with weighting coefficients Cs. Substituting the superposition into the general evolution equation for the ODF and minimizing the residual error, we find that the weighting coefficients Cs(t) satisfy coupled evolution equations of the form αisCs + βisCs + γs = 0 where the coefficients αis, βis and γs can be calculated in advance from the expressions for the SBFs. These equations are solved numerically for different values of p12 and p23, yielding numerical values of Cs(r12, r23, p12, p23) that can be fit using simple analytical functions. Our new parameterization allows CPO to be calculated some 107 times faster than full self-consistent methods such as SOSC.

A GPU-accelerated implicit meshless method for compressible flows

NASA Astrophysics Data System (ADS)

Zhang, Jia-Le; Ma, Zhi-Hua; Chen, Hong-Quan; Cao, Cheng

2018-05-01

This paper develops a recently proposed GPU based two-dimensional explicit meshless method (Ma et al., 2014) by devising and implementing an efficient parallel LU-SGS implicit algorithm to further improve the computational efficiency. The capability of the original 2D meshless code is extended to deal with 3D complex compressible flow problems. To resolve the inherent data dependency of the standard LU-SGS method, which causes thread-racing conditions destabilizing numerical computation, a generic rainbow coloring method is presented and applied to organize the computational points into different groups by painting neighboring points with different colors. The original LU-SGS method is modified and parallelized accordingly to perform calculations in a color-by-color manner. The CUDA Fortran programming model is employed to develop the key kernel functions to apply boundary conditions, calculate time steps, evaluate residuals as well as advance and update the solution in the temporal space. A series of two- and three-dimensional test cases including compressible flows over single- and multi-element airfoils and a M6 wing are carried out to verify the developed code. The obtained solutions agree well with experimental data and other computational results reported in the literature. Detailed analysis on the performance of the developed code reveals that the developed CPU based implicit meshless method is at least four to eight times faster than its explicit counterpart. The computational efficiency of the implicit method could be further improved by ten to fifteen times on the GPU.

Computation of high Reynolds number internal/external flows

NASA Technical Reports Server (NTRS)

Cline, M. C.; Wilmoth, R. G.

1981-01-01

A general, user oriented computer program, called VNAP2, has been developed to calculate high Reynolds number, internal/external flows. VNAP2 solves the two-dimensional, time-dependent Navier-Stokes equations. The turbulence is modeled with either a mixing-length, a one transport equation, or a two transport equation model. Interior grid points are computed using the explicit MacCormack scheme with special procedures to speed up the calculation in the fine grid. All boundary conditions are calculated using a reference plane characteristic scheme with the viscous terms treated as source terms. Several internal, and internal/external flow calculations are presented.

Computation of high Reynolds number internal/external flows

NASA Technical Reports Server (NTRS)

Cline, M. C.; Wilmoth, R. G.

1981-01-01

A general, user oriented computer program, called VNAP2, was developed to calculate high Reynolds number, internal/ external flows. The VNAP2 program solves the two dimensional, time dependent Navier-Stokes equations. The turbulence is modeled with either a mixing-length, a one transport equation, or a two transport equation model. Interior grid points are computed using the explicit MacCormack Scheme with special procedures to speed up the calculation in the fine grid. All boundary conditions are calculated using a reference plane characteristic scheme with the viscous terms treated as source terms. Several internal, external, and internal/external flow calculations are presented.

Computation of high Reynolds number internal/external flows

NASA Technical Reports Server (NTRS)

Cline, M. C.; Wilmoth, R. G.

1981-01-01

A general, user oriented computer program, called VNAF2, developed to calculate high Reynolds number internal/external flows is described. The program solves the two dimensional, time dependent Navier-Stokes equations. Turbulence is modeled with either a mixing length, a one transport equation, or a two transport equation model. Interior grid points are computed using the explicit MacCormack scheme with special procedures to speed up the calculation in the fine grid. All boundary conditions are calculated using a reference plane characteristic scheme with the viscous terms treated as source terms. Several internal, external, and internal/external flow calculations are presented.

Locating arbitrarily time-dependent sound sources in three dimensional space in real time.

PubMed

Wu, Sean F; Zhu, Na

2010-08-01

This paper presents a method for locating arbitrarily time-dependent acoustic sources in a free field in real time by using only four microphones. This method is capable of handling a wide variety of acoustic signals, including broadband, narrowband, impulsive, and continuous sound over the entire audible frequency range, produced by multiple sources in three dimensional (3D) space. Locations of acoustic sources are indicated by the Cartesian coordinates. The underlying principle of this method is a hybrid approach that consists of modeling of acoustic radiation from a point source in a free field, triangulation, and de-noising to enhance the signal to noise ratio (SNR). Numerical simulations are conducted to study the impacts of SNR, microphone spacing, source distance and frequency on spatial resolution and accuracy of source localizations. Based on these results, a simple device that consists of four microphones mounted on three mutually orthogonal axes at an optimal distance, a four-channel signal conditioner, and a camera is fabricated. Experiments are conducted in different environments to assess its effectiveness in locating sources that produce arbitrarily time-dependent acoustic signals, regardless whether a sound source is stationary or moves in space, even toward behind measurement microphones. Practical limitations on this method are discussed.

A one-dimensional model of the semiannual oscillation driven by convectively forced gravity waves

NASA Technical Reports Server (NTRS)

Sassi, Fabrizio; Garcia, Rolando R.

1994-01-01

A one-dimensional model that solves the time-dependent equations for the zonal mean wind and a wave of specified zonal wavenumber has been used to illustrate the ability of gravity waves forced by time-dependent tropospheric heating to produce a semiannual oscillation (SAO) in the middle atmosphere. When the heating has a strong diurnal cycle, as observed over tropical landmasses, gravity waves with zonal wavelengths of a few thousand kilometers and phase velocities in the range +/- 40-50 m/sec are excited efficiently by the maximum vertical projection criterion (vertical wavelength approximately equals 2 x forcing depth). Calculations show that these waves can account for large zonal mean wind accelerations in the middle atmosphere, resulting in realistic stratopause and mesopause oscillations. Calculations of the temporal evolution of a quasi-conserved tracer indicate strong down-welling in the upper stratosphere near the equinoxes, which is associated with the descent of the SAO westerlies. In the upper mesosphere, there is a semiannual oscillation in tracer mixing ratio driven by seasonal variability in eddy mixing, which increases at the solstices and decreases at the equinoxes.

Stratified Shear Flows In Pipe Geometries

NASA Astrophysics Data System (ADS)

Harabin, George; Camassa, Roberto; McLaughlin, Richard; UNC Joint Fluids Lab Team Team

2015-11-01

Exact and series solutions to the full Navier-Stokes equations coupled to the advection diffusion equation are investigated in tilted three-dimensional pipe geometries. Analytic techniques for studying the three-dimensional problem provide a means for tackling interesting questions such as the optimal domain for mass transport, and provide new avenues for experimental investigation of diffusion driven flows. Both static and time dependent solutions will be discussed. NSF RTG DMS-0943851, NSF RTG ARC-1025523, NSF DMS-1009750.

User's manual for three dimensional FDTD version D code for scattering from frequency-dependent dielectric and magnetic materials

NASA Technical Reports Server (NTRS)

Beggs, John H.; Luebbers, Raymond J.; Kunz, Karl S.

1991-01-01

The Penn State Finite Difference Time Domain Electromagnetic Scattering Code Version D is a three dimensional numerical electromagnetic scattering code based upon the Finite Difference Time Domain Technique (FDTD). The supplied version of the code is one version of our current three dimensional FDTD code set. This manual provides a description of the code and corresponding results for several scattering problems. The manual is organized into fourteen sections: introduction, description of the FDTD method, operation, resource requirements, Version D code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include file (COMMOND.FOR), a section briefly discussing Radar Cross Section (RCS) computations, a section discussing some scattering results, a sample problem setup section, a new problem checklist, references and figure titles.

User's manual for three dimensional FDTD version B code for scattering from frequency-dependent dielectric materials

NASA Technical Reports Server (NTRS)

Beggs, John H.; Luebbers, Raymond J.; Kunz, Karl S.

1991-01-01

The Penn State Finite Difference Time Domain Electromagnetic Scattering Code Version B is a three dimensional numerical electromagnetic scattering code based upon the Finite Difference Time Domain Technique (FDTD). The supplied version of the code is one version of our current three dimensional FDTD code set. This manual provides a description of the code and corresponding results for several scattering problems. The manual is organized into fourteen sections: introduction, description of the FDTD method, operation, resource requirements, Version B code capabilities, a brief description of the default scattering geometry, a brief description of each subroutine, a description of the include file (COMMONB.FOR), a section briefly discussing Radar Cross Section (RCS) computations, a section discussing some scattering results, a sample problem setup section, a new problem checklist, references and figure titles.

Recovering a full dimensional quantum rate constant from a reduced dimensionality calculation: Application to the OH+CO{r_arrow}H+CO{sub 2} reaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dzegilenko, F.N.; Bowman, J.M.

1996-08-01

Two reduced dimensionality theories are used to calculate the thermal rate constant for the OH+CO{r_arrow}H+CO{sub 2} reaction. The standard theory employs energy-shift approximations to extract the full six degree-of-freedom quantum rate constant for this reaction from the previous two degree-of-freedom (2-DOF) quantum calculations of Hernandez and Clary [M.I. Hernandez and D.C. Clary, J. Chem. Phys. {bold 101}, 2779 (1994)]. Three extra bending modes and one extra {open_quote}{open_quote}spectator{close_quote}{close_quote} CO stretch mode are treated adiabatically in the harmonic fashion. The parameters of the exit channel transition state are used to evaluate the frequencies of those additional modes. A new reduced dimensionality theorymore » is also applied to this reaction. This theory explicitly addresses the finding from the 2-DOF calculations that the reaction proceeds mainly via complex formation. A J-shifting approximation has been used to take into account the initial states with non-zero values of total angular momentum in both reduced dimensionality theories. Cumulative reaction probabilities and thermal rate constants are calculated and compared with the previous quasiclassical and reduced dimensionality quantum calculations and with experiment. The rate constant from the new reduced dimensionality theory is between a factor of 5 and 100 times smaller than the statistical transition state theory result, and is in much better agreement with experiment. {copyright} {ital 1996 American Institute of Physics.}« less

New ab initio potential surfaces and three-dimensional quantum dynamics for transition state spectroscopy in ozone photodissociation

NASA Astrophysics Data System (ADS)

Yamashita, Koichi; Morokuma, Keiji; Le Quéré, Frederic; Leforestier, Claude

1992-04-01

New ab initio potential energy surfaces (PESs) of the ground and B ( 1B 2) states of ozone have been calculated with the CASSCF-SECI/DZP method to describe the three-dimensional photodissociation process. The dissociation energy of the ground state and the vertical barrier height of the B PES are obtained to be 0.88 and 1.34 eV, respectively, in better agreement with the experimental values than the previous calculation. The photodissociation autocorrelation function, calculated on the new B PES, based on exact three-dimensional quantum dynamics, reproduces well the main recurrence feature extracted from the experimental spectra.

Thermo-viscoelastic analysis of composite materials, volume 1

NASA Technical Reports Server (NTRS)

Lin, K. Y.; Hwang, I. H.

1988-01-01

Advanced composite materials, especially graphite/epoxy, are being applied to aircraft structures in order to improve performance and save weight. An important consideration in composite design is the residual strength of a structure containing holes, delaminations, or interlaminar damage when subjected to compressive loads. Recent studies have revealed the importance of viscoelastic effects in polymer-based composites. The viscoelastic effect is particularly significant at elevated temperature/moisture conditions since the matrix material is strongly affected by the environment. The solution of viscoelastic problems in composites was limited to special cases which can be solved by classical lamination theory. A finite element procedure is presented for calculating time-dependent stresses and strains in composite structures with general configurations and complicated boundary conditions. Using this procedure the in-plane and interlaminar stress distributions and histories in notched and unnotched composites were obtained for mechanical and thermal loads. Both two-dimensional and three-dimensional viscoelastic problems are analyzed. The effects of layup orientation and load spectrum on creep response and stress relaxation were also studied.

Temperature measurements in small holes drilled in superconducting bulk during pulsed field magnetization

NASA Astrophysics Data System (ADS)

Fujishiro, H.; Naito, T.; Furuta, D.; Kakehata, K.

2010-11-01

The time dependence of the temperatures T(z, t) has been measured along the thickness direction z in several drilled holes in a superconducting bulk during pulsed field magnetization (PFM) and the heat generation and heat transfer in the bulk have been discussed. In the previous paper [H. Fujishiro, S. Kawaguchi, K. Kakehata, A. Fujiwara, T. Tateiwa, T. Oka, Supercond. Sci. Technol. 19 (2006) S540], we calculated the T(z, t) profiles in the bulk by solving a three-dimensional heat-diffusion equation to reproduce the measured T(t) on the bulk surface; the heat generation took place adiabatically and the calculated T(z, t) was isothermal along the z direction. In this study, the measured T(z, t) at the top surface was higher than that at the bottom surface just after the pulse field application at t < 0.5 s, and then became isothermal with increasing time. These results suggest that the magnetic flux intrudes inhomogeneously into the bulk from the edge of the top surface and the periphery at the early stage. The inhomogeneous magnetic flux intrusion and the flux trap during PFM change depending on the strength of the pulsed field and the pulse number in the successive pulse field application.

Two-dimensional numerical simulation of flow around three-stranded rope

NASA Astrophysics Data System (ADS)

Wang, Xinxin; Wan, Rong; Huang, Liuyi; Zhao, Fenfang; Sun, Peng

2016-08-01

Three-stranded rope is widely used in fishing gear and mooring system. Results of numerical simulation are presented for flow around a three-stranded rope in uniform flow. The simulation was carried out to study the hydrodynamic characteristics of pressure and velocity fields of steady incompressible laminar and turbulent wakes behind a three-stranded rope. A three-cylinder configuration and single circular cylinder configuration are used to model the three-stranded rope in the two-dimensional simulation. The governing equations, Navier-Stokes equations, are solved by using two-dimensional finite volume method. The turbulence flow is simulated using Standard κ-ɛ model and Shear-Stress Transport κ-ω (SST) model. The drag of the three-cylinder model and single cylinder model is calculated for different Reynolds numbers by using control volume analysis method. The pressure coefficient is also calculated for the turbulent model and laminar model based on the control surface method. From the comparison of the drag coefficient and the pressure of the single cylinder and three-cylinder models, it is found that the drag coefficients of the three-cylinder model are generally 1.3-1.5 times those of the single circular cylinder for different Reynolds numbers. Comparing the numerical results with water tank test data, the results of the three-cylinder model are closer to the experiment results than the single cylinder model results.

Energetics and Dynamics of GaAs Epitaxial Growth via Quantum Wave Packet Studies

NASA Technical Reports Server (NTRS)

Dzegilenko, Fedor N.; Saini, Subhash (Technical Monitor)

1998-01-01

The dynamics of As(sub 2) molecule incorporation into the flat Ga-terminated GaAs(100) surface is studied computationally. The time-dependent Schrodinger equation is solved on a two-dimensional potential energy surface obtained using density functional theory calculations. The probabilities of trapping and subsequent dissociation of the molecular As(sub 2) bond are calculated as a function of beam translational energy and vibrational quantum number of As(sub 2).

Micro-gun based on laser pulse propulsion.

PubMed

Yu, Haichao; Li, Hanyang; Cui, Lugui; Liu, Shuangqiang; Yang, Jun

2017-11-24

This paper proposes a novel "micro-gun" structure for laser pulse propulsion. The "micro-bullets" (glass microspheres) are irradiated by a laser pulse with a 10 ns duration in a dynamic process. Experimental parameters such as the microsphere diameter and the laser pulse energy are varied to investigate their influence on laser pulse propulsion. The energy field and spatial intensity distribution in the capillary tube were simulated using a three-dimensional finite-difference time-domain method. The experimental results demonstrate that the propulsion efficiency is dependent on the laser pulse energy and the microsphere size. The propulsion modes and sources of the propelling force were confirmed through direct observation and theoretical calculation. Waves also generated by light-pressure and thermal expansions assisted the propulsion.

Chirp of the single attosecond pulse generated by a polarization gating

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang Zenghu

2005-02-01

The chirp of the xuv supercontinuum generated by a polarization gating is investigated by comparing three-dimensional nonadiabatic numerical simulations with classical calculations. The origin of the chirp is the dependence of the energy gain by an electron on the return time. The chirp is positive and its value is almost the same as that when a linearly polarized laser is used. Although the 250-eV-wide supercontinuum corresponds to a single attosecond pulse, the shortest duration of the pulse is limited by the chirp. By compensating the positive chirp with the negative group velocity dispersion of a Sn filter, it is predictedmore » that a single 58-as pulse can be generated.« less

Three-dimensional proximal flow convergence automatic calculation for determining mitral valve area in rheumatic mitral stenosis.

PubMed

Sampaio, Francisco; Ladeiras-Lopes, Ricardo; Almeida, João; Fonseca, Paulo; Fontes-Carvalho, Ricardo; Ribeiro, José; Gama, Vasco

2017-07-01

Management of patients with mitral stenosis (MS) depends heavily on the accurate quantification of mitral valve area (MVA) using echocardiography. All currently used two-dimensional (2D) methods have limitations. Estimation of MVA using the proximal isovelocity surface area (PISA) method with real time three-dimensional (3D) echocardiography may circumvent those limitations. We aimed to evaluate the accuracy of 3D direct measurement of PISA in the estimation of MVA. Twenty-seven consecutive patients (median age of 63 years; 77.8% females) with rheumatic MS were prospectively studied. Transthoracic and transesophageal echocardiography with 2D and 3D acquisitions were performed on the same day. The reference method for MVA quantification was valve planimetry after 3D-volume multiplanar reconstruction. A semi-automated software was used to calculate the 3D flow convergence volume. Compared to MVA estimation using 3D planimetry, 3D PISA showed the best correlation (rho=0.78, P<.0001), followed by pressure half-time (PHT: rho=0.66, P<.001), continuity equation (CE: rho=0.61, P=.003), and 2D PISA (rho=0.26, P=.203). Bland-Altman analysis revealed a good agreement for MVA estimation with 3D PISA (mean difference -0.03 cm 2 ; limits of agreement (LOA) -0.40-0.35), in contrast to wider LOA for 2D methods: CE (mean difference 0.02 cm 2 , LOA -0.56-0.60); PHT (mean difference 0.31 cm 2 , LOA -0.32-0.95); 2D PISA (mean difference -0.03 cm 2 , LOA -0.92-0.86). MVA estimation using 3D PISA was feasible and more accurate than 2D methods. Its introduction in daily clinical practice seems possible and may overcome technical limitations of 2D methods. © 2017, Wiley Periodicals, Inc.

Comparison of laser anemometer measurements and theory in an annular turbine cascade with experimental accuracy determined by parameter estimation

NASA Technical Reports Server (NTRS)

Goldman, L. J.; Seasholtz, R. G.

1982-01-01

Experimental measurements of the velocity components in the blade to blade (axial tangential) plane were obtained with an axial flow turbine stator passage and were compared with calculations from three turbomachinery computer programs. The theoretical results were calculated from a quasi three dimensional inviscid code, a three dimensional inviscid code, and a three dimensional viscous code. Parameter estimation techniques and a particle dynamics calculation were used to assess the accuracy of the laser measurements, which allow a rational basis for comparison of the experimenal and theoretical results. The general agreement of the experimental data with the results from the two inviscid computer codes indicates the usefulness of these calculation procedures for turbomachinery blading. The comparison with the viscous code, while generally reasonable, was not as good as for the inviscid codes.

Physics in space-time with scale-dependent metrics

NASA Astrophysics Data System (ADS)

Balankin, Alexander S.

2013-10-01

We construct three-dimensional space Rγ3 with the scale-dependent metric and the corresponding Minkowski space-time Mγ,β4 with the scale-dependent fractal (DH) and spectral (DS) dimensions. The local derivatives based on scale-dependent metrics are defined and differential vector calculus in Rγ3 is developed. We state that Mγ,β4 provides a unified phenomenological framework for dimensional flow observed in quite different models of quantum gravity. Nevertheless, the main attention is focused on the special case of flat space-time M1/3,14 with the scale-dependent Cantor-dust-like distribution of admissible states, such that DH increases from DH=2 on the scale ≪ℓ0 to DH=4 in the infrared limit ≫ℓ0, where ℓ0 is the characteristic length (e.g. the Planck length, or characteristic size of multi-fractal features in heterogeneous medium), whereas DS≡4 in all scales. Possible applications of approach based on the scale-dependent metric to systems of different nature are briefly discussed.

Application of an inverse method for calculating three-dimensional fault geometries and clip vectors, Nun River Field, Nigeria

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kerr, H.G.; White, N.

A general, automatic method for determining the three-dimensional geometry of a normal fault of any shape and size is applied to a three-dimensional seismic reflection data set from the Nun River field, Nigeria. In addition to calculating fault geometry, the method also automatically retrieves the extension direction without requiring any previous information about either the fault shape or the extension direction. Solutions are found by minimizing the misfit between sets of faults that are calculated from the observed geometries of two or more hanging-wall beds. In the example discussed here, the predicted fault surface is in excellent agreement with themore » shape of the seismically imaged fault. Although the calculated extension direction is oblique to the average strike of the fault, the value of this parameter is not well resolved. Our approach differs markedly from standard section-balancing models in two important ways. First, we do not assume that the extension direction is known, and second, the use of inverse theory ensures that formal confidence bounds can be determined for calculated fault geometries. This ability has important implications for a range of geological problems encountered at both exploration and production scales. In particular, once the three-dimensional displacement field has been constrained, the difficult but important problem of three-dimensional palinspastic restoration of hanging-wall structures becomes tractable.« less

Simplified expressions that incorporate finite pulse effects into coherent two-dimensional optical spectra.

PubMed

Do, Thanh Nhut; Gelin, Maxim F; Tan, Howe-Siang

2017-10-14

We derive general expressions that incorporate finite pulse envelope effects into a coherent two-dimensional optical spectroscopy (2DOS) technique. These expressions are simpler and less computationally intensive than the conventional triple integral calculations needed to simulate 2DOS spectra. The simplified expressions involving multiplications of arbitrary pulse spectra with 2D spectral response function are shown to be exactly equal to the conventional triple integral calculations of 2DOS spectra if the 2D spectral response functions do not vary with population time. With minor modifications, they are also accurate for 2D spectral response functions with quantum beats and exponential decay during population time. These conditions cover a broad range of experimental 2DOS spectra. For certain analytically defined pulse spectra, we also derived expressions of 2D spectra for arbitrary population time dependent 2DOS spectral response functions. Having simpler and more efficient methods to calculate experimentally relevant 2DOS spectra with finite pulse effect considered will be important in the simulation and understanding of the complex systems routinely being studied by using 2DOS.

Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum.

PubMed

Vendrell, Oriol; Brill, Michael; Gatti, Fabien; Lauvergnat, David; Meyer, Hans-Dieter

2009-06-21

Quantum dynamical calculations are reported for the zero point energy, several low-lying vibrational states, and the infrared spectrum of the H(5)O(2)(+) cation. The calculations are performed by the multiconfiguration time-dependent Hartree (MCTDH) method. A new vector parametrization based on a mixed Jacobi-valence description of the system is presented. With this parametrization the potential energy surface coupling is reduced with respect to a full Jacobi description, providing a better convergence of the n-mode representation of the potential. However, new coupling terms appear in the kinetic energy operator. These terms are derived and discussed. A mode-combination scheme based on six combined coordinates is used, and the representation of the 15-dimensional potential in terms of a six-combined mode cluster expansion including up to some 7-dimensional grids is discussed. A statistical analysis of the accuracy of the n-mode representation of the potential at all orders is performed. Benchmark, fully converged results are reported for the zero point energy, which lie within the statistical uncertainty of the reference diffusion Monte Carlo result for this system. Some low-lying vibrationally excited eigenstates are computed by block improved relaxation, illustrating the applicability of the approach to large systems. Benchmark calculations of the linear infrared spectrum are provided, and convergence with increasing size of the time-dependent basis and as a function of the order of the n-mode representation is studied. The calculations presented here make use of recent developments in the parallel version of the MCTDH code, which are briefly discussed. We also show that the infrared spectrum can be computed, to a very good approximation, within D(2d) symmetry, instead of the G(16) symmetry used before, in which the complete rotation of one water molecule with respect to the other is allowed, thus simplifying the dynamical problem.

Simulation Procedure for Lifelong Flight Behavior of Electrons Consistent in Three Domains of Time t, Position x, and Energy ɛ

NASA Astrophysics Data System (ADS)

Ikuta, Nobuaki; Takeda, Akihide

2017-12-01

Research on the flight behavior of electrons and ions in a gas under an electric field has recently moved in a direction of clarifying the mechanism of the spatiotemporal development of a swarm, but the symbolic unknown state function f(r,c,t) of the Boltzmann equation has not been obtained in an explicit form. However, a few papers on the spatiotemporal development of an electron swarm using the Monte Carlo simulation have been published. On the other hand, a new simulation procedure for obtaining the lifelong state function FfT(t,x,ɛ) and local transport quantities J(t,x,ɛ) of electrons in the three domains of time t, one-dimensional position x, and energy ɛ under arbitrary initial and boundary conditions has been developed by extending the flight-time-integral (FTI) methods previously reported and is named the 3D-FTI method. A preliminary calculation has shown that this method can extensively provide the flight behavior of individual electrons in a swarm and local transport quantities consistent in the three domains with reasonable accuracy and career dependences.

Techniques for increasing the efficiency of Earth gravity calculations for precision orbit determination

NASA Technical Reports Server (NTRS)

Smith, R. L.; Lyubomirsky, A. S.

1981-01-01

Two techniques were analyzed. The first is a representation using Chebyshev expansions in three-dimensional cells. The second technique employs a temporary file for storing the components of the nonspherical gravity force. Computer storage requirements and relative CPU time requirements are presented. The Chebyshev gravity representation can provide a significant reduction in CPU time in precision orbit calculations, but at the cost of a large amount of direct-access storage space, which is required for a global model.

Nonlinear temperature dependent failure analysis of finite width composite laminates

NASA Technical Reports Server (NTRS)

Nagarkar, A. P.; Herakovich, C. T.

1979-01-01

A quasi-three dimensional, nonlinear elastic finite element stress analysis of finite width composite laminates including curing stresses is presented. Cross-ply, angle-ply, and two quasi-isotropic graphite/epoxy laminates are studied. Curing stresses are calculated using temperature dependent elastic properties that are input as percent retention curves, and stresses due to mechanical loading in the form of an axial strain are calculated using tangent modulii obtained by Ramberg-Osgood parameters. It is shown that curing stresses and stresses due to tensile loading are significant as edge effects in all types of laminate studies. The tensor polynomial failure criterion is used to predict the initiation of failure. The mode of failure is predicted by examining individual stress contributions to the tensor polynomial.

Parallel processing a three-dimensional free-lagrange code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mandell, D.A.; Trease, H.E.

1989-01-01

A three-dimensional, time-dependent free-Lagrange hydrodynamics code has been multitasked and autotasked on a CRAY X-MP/416. The multitasking was done by using the Los Alamos Multitasking Control Library, which is a superset of the CRAY multitasking library. Autotasking is done by using constructs which are only comment cards if the source code is not run through a preprocessor. The three-dimensional algorithm has presented a number of problems that simpler algorithms, such as those for one-dimensional hydrodynamics, did not exhibit. Problems in converting the serial code, originally written for a CRAY-1, to a multitasking code are discussed. Autotasking of a rewritten versionmore » of the code is discussed. Timing results for subroutines and hot spots in the serial code are presented and suggestions for additional tools and debugging aids are given. Theoretical speedup results obtained from Amdahl's law and actual speedup results obtained on a dedicated machine are presented. Suggestions for designing large parallel codes are given.« less

HEATING 7. 1 user's manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Childs, K.W.

1991-07-01

HEATING is a FORTRAN program designed to solve steady-state and/or transient heat conduction problems in one-, two-, or three- dimensional Cartesian, cylindrical, or spherical coordinates. A model may include multiple materials, and the thermal conductivity, density, and specific heat of each material may be both time- and temperature-dependent. The thermal conductivity may be anisotropic. Materials may undergo change of phase. Thermal properties of materials may be input or may be extracted from a material properties library. Heating generation rates may be dependent on time, temperature, and position, and boundary temperatures may be time- and position-dependent. The boundary conditions, which maymore » be surface-to-boundary or surface-to-surface, may be specified temperatures or any combination of prescribed heat flux, forced convection, natural convection, and radiation. The boundary condition parameters may be time- and/or temperature-dependent. General graybody radiation problems may be modeled with user-defined factors for radiant exchange. The mesh spacing may be variable along each axis. HEATING is variably dimensioned and utilizes free-form input. Three steady-state solution techniques are available: point-successive-overrelaxation iterative method with extrapolation, direct-solution (for one-dimensional or two-dimensional problems), and conjugate gradient. Transient problems may be solved using one of several finite-difference schemes: Crank-Nicolson implicit, Classical Implicit Procedure (CIP), Classical Explicit Procedure (CEP), or Levy explicit method (which for some circumstances allows a time step greater than the CEP stability criterion). The solution of the system of equations arising from the implicit techniques is accomplished by point-successive-overrelaxation iteration and includes procedures to estimate the optimum acceleration parameter.« less

Implementation of one and three dimensional models for heat transfer coeffcient identification over the plate cooled by the circular water jets

NASA Astrophysics Data System (ADS)

Malinowski, Zbigniew; Cebo-Rudnicka, Agnieszka; Hadała, Beata; Szajding, Artur; Telejko, Tadeusz

2017-10-01

A cooling rate affects the mechanical properties of steel which strongly depend on microstructure evolution processes. The heat transfer boundary condition for the numerical simulation of steel cooling by water jets can be determined from the local one dimensional or from the three dimensional inverse solutions in space and time. In the present study the inconel plate has been heated to about 900 °C and then cooled by six circular water jets. The plate temperature has been measured by 30 thermocouples. The heat transfer coefficient and the heat flux distributions at the plate surface have been determined in time and space. The one dimensional solutions have given a local error to the heat transfer coefficient of about 35%. The three dimensional inverse solution has allowed reducing the local error to about 20%. The uncertainty test has confirmed that a better approximation of the heat transfer coefficient distribution over the cooled surface can be obtained even for limited number of thermocouples. In such a case it was necessary to constrain the inverse solution with the interpolated temperature sensors.

A Three-Dimensional Statistical Average Skull: Application of Biometric Morphing in Generating Missing Anatomy.

PubMed

Teshima, Tara Lynn; Patel, Vaibhav; Mainprize, James G; Edwards, Glenn; Antonyshyn, Oleh M

2015-07-01

The utilization of three-dimensional modeling technology in craniomaxillofacial surgery has grown exponentially during the last decade. Future development, however, is hindered by the lack of a normative three-dimensional anatomic dataset and a statistical mean three-dimensional virtual model. The purpose of this study is to develop and validate a protocol to generate a statistical three-dimensional virtual model based on a normative dataset of adult skulls. Two hundred adult skull CT images were reviewed. The average three-dimensional skull was computed by processing each CT image in the series using thin-plate spline geometric morphometric protocol. Our statistical average three-dimensional skull was validated by reconstructing patient-specific topography in cranial defects. The experiment was repeated 4 times. In each case, computer-generated cranioplasties were compared directly to the original intact skull. The errors describing the difference between the prediction and the original were calculated. A normative database of 33 adult human skulls was collected. Using 21 anthropometric landmark points, a protocol for three-dimensional skull landmarking and data reduction was developed and a statistical average three-dimensional skull was generated. Our results show the root mean square error (RMSE) for restoration of a known defect using the native best match skull, our statistical average skull, and worst match skull was 0.58, 0.74, and 4.4  mm, respectively. The ability to statistically average craniofacial surface topography will be a valuable instrument for deriving missing anatomy in complex craniofacial defects and deficiencies as well as in evaluating morphologic results of surgery.

Solving time-dependent two-dimensional eddy current problems

NASA Technical Reports Server (NTRS)

Lee, Min Eig; Hariharan, S. I.; Ida, Nathan

1988-01-01

Results of transient eddy current calculations are reported. For simplicity, a two-dimensional transverse magnetic field which is incident on an infinitely long conductor is considered. The conductor is assumed to be a good but not perfect conductor. The resulting problem is an interface initial boundary value problem with the boundary of the conductor being the interface. A finite difference method is used to march the solution explicitly in time. The method is shown. Treatment of appropriate radiation conditions is given special consideration. Results are validated with approximate analytic solutions. Two stringent test cases of high and low frequency incident waves are considered to validate the results.

Moiré patterns in doubly differential electron-momentum distributions in atomic ionization by mid-infrared lasers

NASA Astrophysics Data System (ADS)

Dran, Martín; Arbó, Diego G.

2018-05-01

We analyze the doubly differential electron momentum distribution in above-threshold ionization of atomic hydrogen by a linearly polarized mid-infrared laser pulse. We reproduce side rings in the momentum distribution with forward-backward symmetry previously observed by Lemell et al. [Phys. Rev. A 87, 013421 (2013), 10.1103/PhysRevA.87.013421], whose origin, as far as we know, has not been explained so far. By developing a Fourier theory of moiré patterns, we demonstrate that such structures stem from the interplay between intra- and intercycle interference patterns which work as two separate grids in the two-dimensional momentum domain. We use a three-dimensional (3D) description based on the saddle-point approximation (SPA) to unravel the nature of these structures. When the periods of the two grids (intra- and intercycle) are similar, principal moiré patterns arise symmetrically as concentric rings in the forward and backward directions at high electron kinetic energy. Higher order moiré patterns are observed and characterized when the period of one grid is multiple of the other. We find a scale law for the position (in momentum space) of the center of the moiré rings in the tunneling regime. We verify the SPA predictions by comparison with time-dependent distorted-wave strong-field approximation calculations and the solutions of the full 3D time-dependent Schrödinger equation.

Simulation of Containment Atmosphere Mixing and Stratification Experiment in the ThAI Facility with a CFD Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Babic, Miroslav; Kljenak, Ivo; Mavko, Borut

2006-07-01

The CFD code CFX4.4 was used to simulate an experiment in the ThAI facility, which was designed for investigation of thermal-hydraulic processes during a severe accident inside a Light Water Reactor containment. In the considered experiment, air was initially present in the vessel, and helium and steam were injected during different phases of the experiment at various mass flow rates and at different locations. The main purpose of the proposed work was to assess the capabilities of the CFD code to reproduce the atmosphere structure with a three-dimensional model, coupled with condensation models proposed by the authors. A three-dimensional modelmore » of the ThAI vessel for the CFX4.4 code was developed. The flow in the simulation domain was modeled as single-phase. Steam condensation on vessel walls was modeled as a sink of mass and energy using a correlation that was originally developed for an integral approach. A simple model of bulk phase change was also included. Calculated time-dependent variables together with temperature and volume fraction distributions at the end of different experiment phases are compared to experimental results. (authors)« less

Time-Dependent Behavior of Diabase and a Nonlinear Creep Model

NASA Astrophysics Data System (ADS)

Yang, Wendong; Zhang, Qiangyong; Li, Shucai; Wang, Shugang

2014-07-01

Triaxial creep tests were performed on diabase specimens from the dam foundation of the Dagangshan hydropower station, and the typical characteristics of creep curves were analyzed. Based on the test results under different stress levels, a new nonlinear visco-elasto-plastic creep model with creep threshold and long-term strength was proposed by connecting an instantaneous elastic Hooke body, a visco-elasto-plastic Schiffman body, and a nonlinear visco-plastic body in series mode. By introducing the nonlinear visco-plastic component, this creep model can describe the typical creep behavior, which includes the primary creep stage, the secondary creep stage, and the tertiary creep stage. Three-dimensional creep equations under constant stress conditions were deduced. The yield approach index (YAI) was used as the criterion for the piecewise creep function to resolve the difficulty in determining the creep threshold value and the long-term strength. The expression of the visco-plastic component was derived in detail and the three-dimensional central difference form was given. An example was used to verify the credibility of the model. The creep parameters were identified, and the calculated curves were in good agreement with the experimental curves, indicating that the model is capable of replicating the physical processes.

Numerical modeling of surface wave development under the action of wind

NASA Astrophysics Data System (ADS)

Chalikov, Dmitry

2018-06-01

The numerical modeling of two-dimensional surface wave development under the action of wind is performed. The model is based on three-dimensional equations of potential motion with a free surface written in a surface-following nonorthogonal curvilinear coordinate system in which depth is counted from a moving surface. A three-dimensional Poisson equation for the velocity potential is solved iteratively. A Fourier transform method, a second-order accuracy approximation of vertical derivatives on a stretched vertical grid and fourth-order Runge-Kutta time stepping are used. Both the input energy to waves and dissipation of wave energy are calculated on the basis of earlier developed and validated algorithms. A one-processor version of the model for PC allows us to simulate an evolution of the wave field with thousands of degrees of freedom over thousands of wave periods. A long-time evolution of a two-dimensional wave structure is illustrated by the spectra of wave surface and the input and output of energy.

A new ghost-node method for linking different models and initial investigations of heterogeneity and nonmatching grids

USGS Publications Warehouse

Dickinson, J.E.; James, S.C.; Mehl, S.; Hill, M.C.; Leake, S.A.; Zyvoloski, G.A.; Faunt, C.C.; Eddebbarh, A.-A.

2007-01-01

A flexible, robust method for linking parent (regional-scale) and child (local-scale) grids of locally refined models that use different numerical methods is developed based on a new, iterative ghost-node method. Tests are presented for two-dimensional and three-dimensional pumped systems that are homogeneous or that have simple heterogeneity. The parent and child grids are simulated using the block-centered finite-difference MODFLOW and control-volume finite-element FEHM models, respectively. The models are solved iteratively through head-dependent (child model) and specified-flow (parent model) boundary conditions. Boundary conditions for models with nonmatching grids or zones of different hydraulic conductivity are derived and tested against heads and flows from analytical or globally-refined models. Results indicate that for homogeneous two- and three-dimensional models with matched grids (integer number of child cells per parent cell), the new method is nearly as accurate as the coupling of two MODFLOW models using the shared-node method and, surprisingly, errors are slightly lower for nonmatching grids (noninteger number of child cells per parent cell). For heterogeneous three-dimensional systems, this paper compares two methods for each of the two sets of boundary conditions: external heads at head-dependent boundary conditions for the child model are calculated using bilinear interpolation or a Darcy-weighted interpolation; specified-flow boundary conditions for the parent model are calculated using model-grid or hydrogeologic-unit hydraulic conductivities. Results suggest that significantly more accurate heads and flows are produced when both Darcy-weighted interpolation and hydrogeologic-unit hydraulic conductivities are used, while the other methods produce larger errors at the boundary between the regional and local models. The tests suggest that, if posed correctly, the ghost-node method performs well. Additional testing is needed for highly heterogeneous systems. ?? 2007 Elsevier Ltd. All rights reserved.

An Implicit Characteristic Based Method for Electromagnetics

NASA Technical Reports Server (NTRS)

Beggs, John H.; Briley, W. Roger

2001-01-01

An implicit characteristic-based approach for numerical solution of Maxwell's time-dependent curl equations in flux conservative form is introduced. This method combines a characteristic based finite difference spatial approximation with an implicit lower-upper approximate factorization (LU/AF) time integration scheme. This approach is advantageous for three-dimensional applications because the characteristic differencing enables a two-factor approximate factorization that retains its unconditional stability in three space dimensions, and it does not require solution of tridiagonal systems. Results are given both for a Fourier analysis of stability, damping and dispersion properties, and for one-dimensional model problems involving propagation and scattering for free space and dielectric materials using both uniform and nonuniform grids. The explicit Finite Difference Time Domain Method (FDTD) algorithm is used as a convenient reference algorithm for comparison. The one-dimensional results indicate that for low frequency problems on a highly resolved uniform or nonuniform grid, this LU/AF algorithm can produce accurate solutions at Courant numbers significantly greater than one, with a corresponding improvement in efficiency for simulating a given period of time. This approach appears promising for development of dispersion optimized LU/AF schemes for three dimensional applications.

Strong-coupling Bose polarons out of equilibrium: Dynamical renormalization-group approach

NASA Astrophysics Data System (ADS)

Grusdt, Fabian; Seetharam, Kushal; Shchadilova, Yulia; Demler, Eugene

2018-03-01

When a mobile impurity interacts with a surrounding bath of bosons, it forms a polaron. Numerous methods have been developed to calculate how the energy and the effective mass of the polaron are renormalized by the medium for equilibrium situations. Here, we address the much less studied nonequilibrium regime and investigate how polarons form dynamically in time. To this end, we develop a time-dependent renormalization-group approach which allows calculations of all dynamical properties of the system and takes into account the effects of quantum fluctuations in the polaron cloud. We apply this method to calculate trajectories of polarons following a sudden quench of the impurity-boson interaction strength, revealing how the polaronic cloud around the impurity forms in time. Such trajectories provide additional information about the polaron's properties which are challenging to extract directly from the spectral function measured experimentally using ultracold atoms. At strong couplings, our calculations predict the appearance of trajectories where the impurity wavers back at intermediate times as a result of quantum fluctuations. Our method is applicable to a broader class of nonequilibrium problems. As a check, we also apply it to calculate the spectral function and find good agreement with experimental results. At very strong couplings, we predict that quantum fluctuations lead to the appearance of a dark continuum with strongly suppressed spectral weight at low energies. While our calculations start from an effective Fröhlich Hamiltonian describing impurities in a three-dimensional Bose-Einstein condensate, we also calculate the effects of additional terms in the Hamiltonian beyond the Fröhlich paradigm. We demonstrate that the main effect of these additional terms on the attractive side of a Feshbach resonance is to renormalize the coupling strength of the effective Fröhlich model.

Linear and Nonlinear Analysis of Magnetic Bearing Bandwidth Due to Eddy Current Limitations

NASA Technical Reports Server (NTRS)

Kenny, Andrew; Palazzolo, Alan

2000-01-01

Finite element analysis was used to study the bandwidth of alloy hyperco50a and silicon iron laminated rotors and stators in magnetic bearings. A three dimensional model was made of a heteropolar bearing in which all the flux circulated in the plane of the rotor and stator laminate. A three dimensional model of a plate similar to the region of a pole near the gap was also studied with a very fine mesh. Nonlinear time transient solutions for the net flux carried by the plate were compared to steady state time harmonic solutions. Both linear and quasi-nonlinear steady state time harmonic solutions were calculated and compared. The finite element solutions for power loss and flux bandwidth were compared to those determined from classical analytical solutions to Maxwell's equations.

Theory of ITG turbulent saturation in stellarators: identifying mechanisms to reduce turbulent transport

DOE PAGES

Hegna, Chris C.; Terry, Paul W.; Faber, Ben J.

2018-02-01

A three-field fluid model that allows for general three-dimensional equilibrium geometry is developed to describe ion temperature gradient turbulent saturation processes in stellarators. The theory relies on the paradigm of nonlinear transfer of energy from unstable to damped modes at comparable wavelength as the dominant saturation mechanism. The unstable-to-damped mode interaction is enabled by a third mode that for dominant energy transfer channels primarily serves as a regulator of the nonlinear energy transfer rate. The identity of the third wave in the interaction defines different scenarios for turbulent saturation with the dominant scenario depending upon the properties of the 3Dmore » geometry. The nonlinear energy transfer physics is quantified by the product of a turbulent correlation lifetime and a geometric coupling coefficient. The turbulent correlation time is determined by a three-wave frequency mismatch, which at long wavelength can be calculated from the sum of the linear eigenfrequencies of the three modes. Larger turbulent correlation times denote larger levels of nonlinear energy transfer and hence smaller turbulent transport. The theory provides an analytic prediction for how 3D shaping can be tuned to lower turbulent transport through saturation processes.« less

Theory of ITG turbulent saturation in stellarators: identifying mechanisms to reduce turbulent transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hegna, Chris C.; Terry, Paul W.; Faber, Ben J.

A three-field fluid model that allows for general three-dimensional equilibrium geometry is developed to describe ion temperature gradient turbulent saturation processes in stellarators. The theory relies on the paradigm of nonlinear transfer of energy from unstable to damped modes at comparable wavelength as the dominant saturation mechanism. The unstable-to-damped mode interaction is enabled by a third mode that for dominant energy transfer channels primarily serves as a regulator of the nonlinear energy transfer rate. The identity of the third wave in the interaction defines different scenarios for turbulent saturation with the dominant scenario depending upon the properties of the 3Dmore » geometry. The nonlinear energy transfer physics is quantified by the product of a turbulent correlation lifetime and a geometric coupling coefficient. The turbulent correlation time is determined by a three-wave frequency mismatch, which at long wavelength can be calculated from the sum of the linear eigenfrequencies of the three modes. Larger turbulent correlation times denote larger levels of nonlinear energy transfer and hence smaller turbulent transport. The theory provides an analytic prediction for how 3D shaping can be tuned to lower turbulent transport through saturation processes.« less

Overview of aerothermodynamic loads definition study

NASA Technical Reports Server (NTRS)

Gaugler, Raymond E.

1991-01-01

The objective of the Aerothermodynamic Loads Definition Study is to develop methods of accurately predicting the operating environment in advanced Earth-to-Orbit (ETO) propulsion systems, such as the Space Shuttle Main Engine (SSME) powerhead. Development of time averaged and time dependent three dimensional viscous computer codes as well as experimental verification and engine diagnostic testing are considered to be essential in achieving that objective. Time-averaged, nonsteady, and transient operating loads must all be well defined in order to accurately predict powerhead life. Described here is work in unsteady heat flow analysis, improved modeling of preburner flow, turbulence modeling for turbomachinery, computation of three dimensional flow with heat transfer, and unsteady viscous multi-blade row turbine analysis.

A FORTRAN program for calculating three dimensional, inviscid and rotational flows with shock waves in axial compressor blade rows: User's manual

NASA Technical Reports Server (NTRS)

Thompkins, W. T., Jr.

1982-01-01

A FORTRAN-IV computer program was developed for the calculation of the inviscid transonic/supersonic flow field in a fully three dimensional blade passage of an axial compressor rotor or stator. Rotors may have dampers (part span shrouds). MacCormack's explicit time marching method is used to solve the unsteady Euler equations on a finite difference mesh. This technique captures shocks and smears them over several grid points. Input quantities are blade row geometry, operating conditions and thermodynamic quanities. Output quantities are three velocity components, density and internal energy at each mesh point. Other flow quanities are calculated from these variables. A short graphics package is included with the code, and may be used to display the finite difference grid, blade geometry and static pressure contour plots on blade to blade calculation surfaces or blade suction and pressure surfaces. The flow in a low aspect ratio transonic compressor was analyzed and compared with high response total pressure probe measurements and gas fluorescence static density measurements made in the MIT blowdown wind tunnel. These comparisons show that the computed flow fields accurately model the measured shock wave locations and overall aerodynamic performance.

A two dimensional finite difference time domain analysis of the quiet zone fields of an anechoic chamber

NASA Technical Reports Server (NTRS)

Ryan, Deirdre A.; Luebbers, Raymond J.; Nguyen, Truong X.; Kunz, Karl S.; Steich, David J.

1992-01-01

Prediction of anechoic chamber performance is a difficult problem. Electromagnetic anechoic chambers exist for a wide range of frequencies but are typically very large when measured in wavelengths. Three dimensional finite difference time domain (FDTD) modeling of anechoic chambers is possible with current computers but at frequencies lower than most chamber design frequencies. However, two dimensional FDTD (2D-FTD) modeling enables much greater detail at higher frequencies and offers significant insight into compact anechoic chamber design and performance. A major subsystem of an anechoic chamber for which computational electromagnetic analyses exist is the reflector. First, an analysis of the quiet zone fields of a low frequency anechoic chamber produced by a uniform source and a reflector in two dimensions using the FDTD method is presented. The 2D-FDTD results are compared with results from a three dimensional corrected physical optics calculation and show good agreement. Next, a directional source is substituted for the uniform radiator. Finally, a two dimensional anechoic chamber geometry, including absorbing materials, is considered, and the 2D-FDTD results for these geometries appear reasonable.

Direct Numerical Simulation of a Temporally Evolving Incompressible Plane Wake: Effect of Initial Conditions on Evolution and Topology

NASA Technical Reports Server (NTRS)

Sondergaard, R.; Cantwell, B.; Mansour, N.

1997-01-01

Direct numerical simulations have been used to examine the effect of the initial disturbance field on the development of three-dimensionality and the transition to turbulence in the incompressible plane wake. The simulations were performed using a new numerical method for solving the time-dependent, three-dimensional, incompressible Navier-Stokes equations in flows with one infinite and two periodic directions. The method uses standard Fast Fourier Transforms and is applicable to cases where the vorticity field is compact in the infinite direction. Initial disturbances fields examined were combinations of two-dimensional waves and symmetric pairs of 60 deg oblique waves at the fundamental, subharmonic, and sub-subharmonic wavelengths. The results of these simulations indicate that the presence of 60 deg disturbances at the subharmonic streamwise wavelength results in the development of strong coherent three-dimensional structures. The resulting strong three-dimensional rate-of-strain triggers the growth of intense fine scale motions. Wakes initiated with 60 deg disturbances at the fundamental streamwise wavelength develop weak coherent streamwise structures, and do not develop significant fine scale motions, even at high Reynolds numbers. The wakes which develop strong three-dimensional structures exhibit growth rates on par with experimentally observed turbulent plane wakes. Wakes which develop only weak three-dimensional structures exhibit significantly lower late time growth rates. Preliminary studies of wakes initiated with an oblique fundamental and a two-dimensional subharmonic, which develop asymmetric coherent oblique structures at the subharmonic wavelength, indicate that significant fine scale motions only develop if the resulting oblique structures are above an angle of approximately 45 deg.

The effectiveness of a new algorithm on a three-dimensional finite element model construction of bone trabeculae in implant biomechanics.

PubMed

Sato, Y; Teixeira, E R; Tsuga, K; Shindoi, N

1999-08-01

More validity of finite element analysis (FEA) in implant biomechanics requires element downsizing. However, excess downsizing needs computer memory and calculation time. To evaluate the effectiveness of a new algorithm established for more valid FEA model construction without downsizing, three-dimensional FEA bone trabeculae models with different element sizes (300, 150 and 75 micron) were constructed. Four algorithms of stepwise (1 to 4 ranks) assignment of Young's modulus accorded with bone volume in the individual cubic element was used and then stress distribution against vertical loading was analysed. The model with 300 micron element size, with 4 ranks of Young's moduli accorded with bone volume in each element presented similar stress distribution to the model with the 75 micron element size. These results show that the new algorithm was effective, and the use of the 300 micron element for bone trabeculae representation was proposed, without critical changes in stress values and for possible savings on computer memory and calculation time in the laboratory.

Noniterative three-dimensional grid generation using parabolic partial differential equations

NASA Technical Reports Server (NTRS)

Edwards, T. A.

1985-01-01

A new algorithm for generating three-dimensional grids has been developed and implemented which numerically solves a parabolic partial differential equation (PDE). The solution procedure marches outward in two coordinate directions, and requires inversion of a scalar tridiagonal system in the third. Source terms have been introduced to control the spacing and angle of grid lines near the grid boundaries, and to control the outer boundary point distribution. The method has been found to generate grids about 100 times faster than comparable grids generated via solution of elliptic PDEs, and produces smooth grids for finite-difference flow calculations.

Topological photonic crystal with equifrequency Weyl points

NASA Astrophysics Data System (ADS)

Wang, Luyang; Jian, Shao-Kai; Yao, Hong

2016-06-01

Weyl points in three-dimensional photonic crystals behave as monopoles of Berry flux in momentum space. Here, based on general symmetry analysis, we show that a minimal number of four symmetry-related (consequently equifrequency) Weyl points can be realized in time-reversal invariant photonic crystals. We further propose an experimentally feasible way to modify double-gyroid photonic crystals to realize four equifrequency Weyl points, which is explicitly confirmed by our first-principle photonic band-structure calculations. Remarkably, photonic crystals with equifrequency Weyl points are qualitatively advantageous in applications including angular selectivity, frequency selectivity, invisibility cloaking, and three-dimensional imaging.

Assessment of three-dimensional inviscid codes and loss calculations for turbine aerodynamic computations

NASA Technical Reports Server (NTRS)

Povinelli, L. A.

1984-01-01

An assessment of several three dimensional inviscid turbine aerodynamic computer codes and loss models used at the NASA Lewis Research Center is presented. Five flow situations are examined, for which both experimental data and computational results are available. The five flows form a basis for the evaluation of the computational procedures. It was concluded that stator flows may be calculated with a high degree of accuracy, whereas, rotor flow fields are less accurately determined. Exploitation of contouring, learning, bowing, and sweeping will require a three dimensional viscous analysis technique.

Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schröder, Markus, E-mail: Markus.Schroeder@pci.uni-heidelberg.de; Meyer, Hans-Dieter, E-mail: Hans-Dieter.Meyer@pci.uni-heidelberg.de

2014-07-21

We report energies and tunneling splittings of vibrational excited states of malonaldehyde which have been obtained using full dimensional quantum mechanical calculations. To this end we employed the multi configuration time-dependent Hartree method. The results have been obtained using a recently published potential energy surface [Y. Wang, B. J. Braams, J. M. Bowman, S. Carter, and D. P. Tew, J. Chem. Phys. 128, 224314 (2008)] which has been brought into a suitable form by a modified version of the n-mode representation which was used with two different arrangements of coordinates. The relevant terms of the expansion have been identified withmore » a Metropolis algorithm and a diffusion Monte-Carlo technique, respectively.« less

Lattice effects of surface cell: Multilayer multiconfiguration time-dependent Hartree study on surface scattering of CO/Cu(100)

NASA Astrophysics Data System (ADS)

Meng, Qingyong; Meyer, Hans-Dieter

2017-05-01

To study the scattering of CO off a movable Cu(100) surface, extensive multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) calculations are performed based on the SAP [R. Marquardt et al., J. Chem. Phys. 132, 074108 (2010)] potential energy surface in conjunction with a recently developed expansion model [Q. Meng and H.-D. Meyer, J. Chem. Phys. 143, 164310 (2015)] for including lattice motion. The surface vibration potential is constructed by a sum of Morse potentials where the parameters are determined by simulating the vibrational energies of a clean Cu(100) surface. Having constructed the total Hamiltonian, extensive dynamical calculations in both time-independent and time-dependent schemes are performed. Two-layer MCTDH (i.e., normal MCTDH) block-improved-relaxations (time-independent scheme) show that increasing the number of included surface vibrational dimensions lets the vibrational energies of CO/Cu(100) decrease for the frustrated translation (T mode), which is of low energy but increase those of the frustrated rotation (R mode) and the CO-Cu stretch (S mode), whose vibrational energies are larger than the energies of the in-plane surface vibrations (˜79 cm-1). This energy-shifting behavior was predicted and discussed by a simple model in our previous publication [Q. Meng and H.-D. Meyer, J. Chem. Phys. 143, 164310 (2015)]. By the flux analysis of the MCTDH/ML-MCTDH propagated wave packets, we calculated the sticking probabilities for the X + 0D, X + 1D, X + 3D, X + 5D, and X + 15D systems, where "X" stands for the used dimensionality of the CO/rigid-surface system and the second entry denotes the number of surface degrees of freedom included. From these sticking probabilities, the X + 5D/15D calculations predict a slower decrease of sticking with increasing energy as compared to the sticking of the X + 0D/1D/3D calculations. This is because the translational energy of CO is more easily transferred to surface vibrations, when the vibrational dimensionality of the surface is enlarged.

SU-E-I-91: Development of a Compact Radiographic Simulator Using Microsoft Kinect.

PubMed

Ono, M; Kozono, K; Aoki, M; Mizoguchi, A; Kamikawa, Y; Umezu, Y; Arimura, H; Toyofuku, F

2012-06-01

Radiographic simulator system is useful for learning radiographic techniques and confirmation of positioning before x-ray irradiation. Conventional x-ray simulators have drawbacks in cost and size, and are only applicable to situations in which position of the object does not change. Therefore, we have developed a new radiographic simulator system using an infrared-ray based three-dimensional shape measurement device (Microsoft Kinect). We made a computer program using OpenCV and OpenNI for processing of depth image data obtained from Kinect, and calculated the exact distance from Kinect to the object by calibration. Theobject was measured from various directions, and positional relationship between the x-ray tube and the object was obtained. X-ray projection images were calculated by projecting x-rays onto the mathematical three-dimensional CT data of a head phantom with almost the same size. The object was rotated from 0 degree (standard position) through 90 degrees in increments of 10 degrees, and the accuracy of the measured rotation angle values was evaluated. In order to improve the computational time, the projection image size was changed (512*512, 256*256, and 128*128). The x-ray simulation images corresponding to the radiographic images produced by using the x-ray tube were obtained. The three-dimensional position of the object was measured with good precision from 0 to 50 degrees, but above 50 degrees, measured position error increased with the increase of the rotation angle. The computational time and image size were 30, 12, and 7 seconds for 512*512, 256*256, and 128*128, respectively. We could measure the three-dimensional position of the object using properly calibrated Kinect sensor, and obtained projection images at relatively high-speed using the three-dimensional CTdata. It was suggested that this system can be used for obtaining simulated projection x-ray images before x-ray exposure by attaching this device onto an x-ray tube. © 2012 American Association of Physicists in Medicine.

Eroding dipoles and vorticity growth for Euler flows in {{{R}}}^{3}: the hairpin geometry as a model for finite-time blowup

NASA Astrophysics Data System (ADS)

Childress, Stephen; Gilbert, Andrew D.

2018-02-01

A theory of an eroding ‘hairpin’ vortex dipole structure in three-dimensions is developed, extending our previous study of an axisymmetric eroding dipole without swirl. The axisymmetric toroidal dipole was found to lead to maximal growth of vorticity, as {t}4/3. The hairpin is here similarly proposed as a model to produce large ‘self-stretching’ of vorticity, with the possibility of finite-time blow-up. We derive a system of partial differential equations of ‘generalized’ form, involving contour averaging of a locally two-dimensional Euler flow. We do not attempt here to solve the system exactly, but point out that non-existence of physically acceptable solutions would most probably be a result of the axial flow. Because of the axial flow the vorticity distribution within the dipole eddies is no longer of the simple Sadovskii type (vorticity constant over a cross-section) obtained in the axisymmetric problem. Thus the solution of the system depends upon the existence of a larger class of propagating two-dimensional dipoles. The hairpin model is obtained by formal asymptotic analysis. As in the axisymmetric problem a local transformation to ‘shrinking’ coordinates is introduced, but now in a self-similar form appropriate to the study of a possible finite-time singularity. We discuss some properties of the model, including a study of the helicity and a first step in iterating toward a solution from the Sadovskii structure. We also present examples of two-dimensional propagating dipoles not previously studied, which have a vorticity profile consistent with our model. Although no rigorous results can be given, and analysis of the system is only partial, the formal calculations are consistent with the possibility of a finite time blowup of vorticity at a point of vanishing circulation of the dipole eddies, but depending upon the existence of the necessary two-dimensional propagating dipole. Our results also suggest that conservation of kinetic energy as realized in the eroding hairpin excludes a finite time blowup for the corresponding Navier-Stokes model.

Meteorological modeling of arrival and deposition of fallout at intermediate distances downwind of the Nevada Test Site.

PubMed

Cederwall, R T; Peterson, K R

1990-11-01

A three-dimensional atmospheric transport and diffusion model is used to calculate the arrival and deposition of fallout from 13 selected nuclear tests at the Nevada Test Site (NTS) in the 1950s. Results are used to extend NTS fallout patterns to intermediate downwind distances (300 to 1200 km). The radioactive cloud is represented in the model by a population of Lagrangian marker particles, with concentrations calculated on an Eulerian grid. Use of marker particles, with fall velocities dependent on particle size, provides a realistic simulation of fallout as the debris cloud travels downwind. The three-dimensional wind field is derived from observed data, adjusted for mass consistency. Terrain is represented in the grid, which extends up to 1200 km downwind of NTS and has 32-km horizontal resolution and 1-km vertical resolution. Ground deposition is calculated by a deposition-velocity approach. Source terms and relationships between deposition and exposure rate are based on work by Hicks. Uncertainty in particle size and vertical distributions within the debris cloud (and stem) allow for some model "tuning" to better match measured ground-deposition values. Particle trajectories representing different sizes and starting heights above ground zero are used to guide source specification. An hourly time history of the modeled fallout pattern as the debris cloud moves downwind provides estimates of fallout arrival times. Results for event HARRY illustrate the methodology. The composite deposition pattern for all 13 tests is characterized by two lobes extending out to the north-northeast and east-northeast, respectively, at intermediate distances from NTS. Arrival estimates, along with modeled deposition values, augment measured deposition data in the development of data bases at the county level; these data bases are used for estimating radiation exposure at intermediate distances downwind of NTS. Results from a study of event TRINITY are also presented.

Distribution of Electromechanical Delay in the Heart: Insights from a Three-Dimensional Electromechanical Model

PubMed Central

Gurev, V.; Constantino, J.; Rice, J.J.; Trayanova, N.A.

2010-01-01

In the intact heart, the distribution of electromechanical delay (EMD), the time interval between local depolarization and myocyte shortening onset, depends on the loading conditions. The distribution of EMD throughout the heart remains, however, unknown because current experimental techniques are unable to evaluate three-dimensional cardiac electromechanical behavior. The goal of this study was to determine the three-dimensional EMD distributions in the intact ventricles for sinus rhythm (SR) and epicardial pacing (EP) by using a new, to our knowledge, electromechanical model of the rabbit ventricles that incorporates a biophysical representation of myofilament dynamics. Furthermore, we aimed to ascertain the mechanisms that underlie the specific three-dimensional EMD distributions. The results revealed that under both conditions, the three-dimensional EMD distribution is nonuniform. During SR, EMD is longer at the epicardium than at the endocardium, and is greater near the base than at the apex. After EP, the three-dimensional EMD distribution is markedly different; it also changes with the pacing rate. For both SR and EP, late-depolarized regions were characterized with significant myofiber prestretch caused by the contraction of the early-depolarized regions. This prestretch delays myofiber-shortening onset, and results in a longer EMD, giving rise to heterogeneous three-dimensional EMD distributions. PMID:20682251

A 3-D turbulent flow analysis using finite elements with k-ɛ model

NASA Astrophysics Data System (ADS)

Okuda, H.; Yagawa, G.; Eguchi, Y.

1989-03-01

This paper describes the finite element turbulent flow analysis, which is suitable for three-dimensional large scale problems. The k-ɛ turbulence model as well as the conservation equations of mass and momentum are discretized in space using rather low order elements. Resulting coefficient matrices are evaluated by one-point quadrature in order to reduce the computational storage and the CPU cost. The time integration scheme based on the velocity correction method is employed to obtain steady state solutions. For the verification of this FEM program, two-dimensional plenum flow is simulated and compared with experiment. As the application to three-dimensional practical problems, the turbulent flows in the upper plenum of the fast breeder reactor are calculated for various boundary conditions.

Intra-operative navigation of a 3-dimensional needle localization system for precision of irreversible electroporation needles in locally advanced pancreatic cancer.

PubMed

Bond, L; Schulz, B; VanMeter, T; Martin, R C G

2017-02-01

Irreversible electroporation (IRE) uses multiple needles and a series of electrical pulses to create pores in cell membranes and cause cell apoptosis. One of the demands of IRE is the precise needle spacing required. Two-dimensional intraoperative ultrasound (2-D iUS) is currently used to measure inter-needle distances but requires significant expertise. This study evaluates the potential of three-dimensional (3-D) image guidance for placing IRE needles and calculating needle spacing. A prospective clinical evaluation of a 3-D needle localization system (Explorer™) was evaluated in consecutive patients from April 2012 through June 2013 for unresectable pancreatic adenocarcinoma. 3-D reconstructions of patients' anatomy were generated from preoperative CT images, which were aligned to the intraoperative space. Thirty consecutive patients with locally advanced pancreatic cancer were treated with IRE. The needle localization system setup added an average of 6.5 min to each procedure. The 3-D needle localization system increased surgeon confidence and ultimately reduced needle placement time. IRE treatment efficacy is highly dependent on accurate needle spacing. The needle localization system evaluated in this study aims to mitigate these issues by providing the surgeon with additional visualization and data in 3-D. The Explorer™ system provides valuable guidance information and inter-needle distance calculations. Copyright © 2016 Elsevier Ltd, BASO ~ The Association for Cancer Surgery, and the European Society of Surgical Oncology. All rights reserved.

A three-dimensional evaluation of a laser scanner and a touch-probe scanner.

PubMed

Persson, Anna; Andersson, Matts; Oden, Agneta; Sandborgh-Englund, Gunilla

2006-03-01

The fit of a dental restoration depends on quality throughout the entire manufacturing process. There is difficulty in assessing the surface topography of an object with a complex form, such as teeth, since there is no exact reference form. The purpose of this study was to determine the repeatability and relative accuracy of 2 dental surface digitization devices. A computer-aided design (CAD) technique was used for evaluation to calculate and present the deviations 3-dimensionally. Ten dies of teeth prepared for complete crowns were fabricated in presintered yttria-stabilized tetragonal zirconia (Y-TZP). The surfaces were digitized 3 times each with an optical or mechanical digitizer. The number of points in the point clouds from each reading were calculated and used as the CAD reference model (CRM). Alignments were performed by registration software that works by minimizing a distance criterion. In color-difference maps, the distribution of the discrepancies between the surfaces in the CRM and the 3-dimensional surface models was identified and located. The repeatability of both scanners was within 10 microm, based on SD and absolute mean values. The qualitative evaluation resulted in an even distribution of the deviations in the optical digitizer, whereas the dominating part of the surfaces in the mechanical digitizer showed no deviations. The relative accuracy of the 2 surface digitization devices was within +/- 6 microm, based on median values. The repeatability of the optical digitizer was comparable with the mechanical digitization device, and the relative accuracy was similar.

Removal of toxic Cr(VI) ions from tannery industrial wastewater using a newly designed three-phase three-dimensional electrode reactor

NASA Astrophysics Data System (ADS)

Grace Pavithra, K.; Senthil Kumar, P.; Carolin Christopher, Femina; Saravanan, A.

2017-11-01

In this research, the wastewater samples were collected from leather tanning industry at different time intervals. The parameters like pH, electrical conductivity, temperature, turbidity, chromium and chemical oxygen demand (COD) of the samples were analyzed. A three-phase three-dimensional fluidized type electrode reactor (FTER) was newly designed for the effective removal of toxic pollutants from wastewater. The influencing parameters were optimized for the maximum removal of toxic pollutants from wastewater. The optimum condition for the present system was calculated as: contact time of 30 min, applied voltage of 3 V and the particle electrodes of 15 g. The particle electrode was characterized by using FT-IR analysis. Langmuir-Hinshelwood and pseudo-second order kinetic models were fits well with the experimental data. The results showed that the FTER can be successfully employed for the treatment of industrial wastewater.

Comparisons of a Three-Dimensional, Full Navier Stokes Computer Model with High Mach Number Combuster Test Data

NASA Technical Reports Server (NTRS)

Watkins, William B.

1990-01-01

Comparisons between scramjet combustor data and a three-dimensional full Navier-Stokes calculation have been made to verify and substantiate computational fluid dynamics (CFD) codes and application procedures. High Mach number scramjet combustor development will rely heavily on CFD applications to provide wind tunnel-equivalent data of quality sufficient to design, build and fly hypersonic aircraft. Therefore. detailed comparisons between CFD results and test data are imperative. An experimental case is presented, for which combustor wall static pressures were measured and flow-fieid interferograms were obtained. A computer model was done of the experiment, and counterpart parameters are compared with experiment. The experiment involved a subscale combustor designed and fabricated for the National Aero-Space Plane Program, and tested in the Calspan Corporation 96" hypersonic shock tunnel. The combustor inlet ramp was inclined at a 20 angle to the shock tunnel nozzle axis, and resulting combustor entrance flow conditions simulated freestream M=10. The combustor body and cowl walls were instrumented with static pressure transducers, and the combustor lateral walls contained windows through which flowfield holographic interferograms were obtained. The CFD calculation involved a three-dimensional time-averaged full Navier-Stokes code applied to the axial flow segment containing fuel injection and combustion. The full Navier-Stokes approach allowed for mixed supersonic and subsonic flow, downstream-upstream communication in subsonic flow regions, and effects of adverse pressure gradients. The code included hydrogen-air chemistry in the combustor segment which begins near fuel injection and continues through combustor exhaust. Combustor ramp and inlet segments on the combustor lateral centerline were modelled as two dimensional. Comparisons to be shown include calculated versus measured wall static pressures as functions of axial flow coordinate, and calculated path-averaged density contours versus an holographic Interferogram.

Incremental Value of Live/Real Time Three-Dimensional over Two-Dimensional Transesophageal Echocardiography in the Assessment of Atrial Septal Pouch.

PubMed

Elsayed, Mahmoud; Hsiung, Ming C; Meggo-Quiroz, L David; Elguindy, Mostafa; Uygur, Begum; Tandon, Rohit; Guvenc, Tolga; Keser, Nurgul; Vural, Mustafa G; Bulur, Serkan; Chahwala, Jugal R; Abtahi, Firoozeh; Nanda, Navin C

2015-12-01

An atrial septal pouch (ASP) results from partial fusion of the septum primum and the septum secundum, and depending on the site of fusion, the pouch can be left-sided (LASP) or right-sided (RASP). LASPs have been described in association with thrombi found in patients admitted with acute strokes, raising awareness of its potential cardioembolic role, especially in those with no other clearly identifiable embolic source. We retrospectively studied 39 patients in whom the presence of an ASP had been identified by three-dimensional transesophageal echocardiography (3DTEE) and who had a two-dimensional transesophageal echocardiogram (2DTEE) performed during the same clinical encounter. The incremental value provided by 3DTEE over 2DTEE included the detection of six ASPs not found by 2DTEE; the detection of two ASPs in the same subject (in four patients) not identified by 2DTEE; larger ASP measurements of length and height in over 80% of the cases; and measurement of the ASP width (elevational axis) for the calculation of the area of the ASP opening, because of its unique capability to view the pouch en face. In addition, the volume of ASP and of the echogenic masses contained in the ASP (four of 39 patients) could be calculated by 3DTEE, which is a superior parameter of size characterization when compared to individual dimensions. One of these patients who presented with ischemic stroke diagnosed by magnetic resonance imaging had a large (>2 cm) mass in a LASP, with echolucencies similar to those seen in thrombi and associated with clot lysis and resolution. This mass completely disappeared on anticoagulant therapy lending credence that it was most likely a thrombus. There was no history of stroke or any other type of embolic event in the other three patients with masses in ASP. In conclusion, this retrospective study highlights the incremental value of 3DTEE over 2DTEE in the comprehensive assessment and characterization of ASPs, which can aid in the clarification of their role in cryptogenic stroke patients. © 2015, Wiley Periodicals, Inc.

Three-dimensional time dependent computation of turbulent flow

NASA Technical Reports Server (NTRS)

Kwak, D.; Reynolds, W. C.; Ferziger, J. H.

1975-01-01

The three-dimensional, primitive equations of motion are solved numerically for the case of isotropic box turbulence and the distortion of homogeneous turbulence by irrotational plane strain at large Reynolds numbers. A Gaussian filter is applied to governing equations to define the large scale field. This gives rise to additional second order computed scale stresses (Leonard stresses). The residual stresses are simulated through an eddy viscosity. Uniform grids are used, with a fourth order differencing scheme in space and a second order Adams-Bashforth predictor for explicit time stepping. The results are compared to the experiments and statistical information extracted from the computer generated data.

Topological magnetoelectric pump in three dimensions

NASA Astrophysics Data System (ADS)

Fukui, Takahiro; Fujiwara, Takanori

2017-11-01

We study the topological pump for a lattice fermion model mainly in three spatial dimensions. We first calculate the U(1) current density for the Dirac model defined in continuous space-time to review the known results as well as to introduce some technical details convenient for the calculations of the lattice model. We next investigate the U(1) current density for a lattice fermion model, a variant of the Wilson-Dirac model. The model we introduce is defined on a lattice in space but in continuous time, which is suited for the study of the topological pump. For such a model, we derive the conserved U(1) current density and calculate it directly for the (1 +1 )-dimensional system as well as (3 +1 )-dimensional system in the limit of the small lattice constant. We find that the current includes a nontrivial lattice effect characterized by the Chern number, and therefore the pumped particle number is quantized by the topological reason. Finally, we study the topological temporal pump in 3 +1 dimensions by numerical calculations. We discuss the relationship between the second Chern number and the first Chern number, the bulk-edge correspondence, and the generalized Streda formula which enables us to compute the second Chern number using the spectral asymmetry.

Post-modelling of images from a laser-induced wavy boiling front

NASA Astrophysics Data System (ADS)

Matti, R. S.; Kaplan, A. F. H.

2015-12-01

Processes like laser keyhole welding, remote fusion laser cutting or laser drilling are governed by a highly dynamic wavy boiling front that was recently recorded by ultra-high speed imaging. A new approach has now been established by post-modelling of the high speed images. Based on the image greyscale and on a cavity model the three-dimensional front topology is reconstructed. As a second step the Fresnel absorptivity modulation across the wavy front is calculated, combined with the local projection of the laser beam. Frequency polygons enable additional analysis of the statistical variations of the properties across the front. Trends like shadow formation and time dependency can be studied, locally and for the whole front. Despite strong topology modulation in space and time, for lasers with 1 μm wavelength and steel the absorptivity is bounded to a narrow range of 35-43%, owing to its Fresnel characteristics.

Theoretical and computer models of detonation in solid explosives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tarver, C.M.; Urtiew, P.A.

1997-10-01

Recent experimental and theoretical advances in understanding energy transfer and chemical kinetics have led to improved models of detonation waves in solid explosives. The Nonequilibrium Zeldovich - von Neumann - Doring (NEZND) model is supported by picosecond laser experiments and molecular dynamics simulations of the multiphonon up-pumping and internal vibrational energy redistribution (IVR) processes by which the unreacted explosive molecules are excited to the transition state(s) preceding reaction behind the leading shock front(s). High temperature, high density transition state theory calculates the induction times measured by laser interferometric techniques. Exothermic chain reactions form product gases in highly excited vibrational states,more » which have been demonstrated to rapidly equilibrate via supercollisions. Embedded gauge and Fabry-Perot techniques measure the rates of reaction product expansion as thermal and chemical equilibrium is approached. Detonation reaction zone lengths in carbon-rich condensed phase explosives depend on the relatively slow formation of solid graphite or diamond. The Ignition and Growth reactive flow model based on pressure dependent reaction rates and Jones-Wilkins-Lee (JWL) equations of state has reproduced this nanosecond time resolved experimental data and thus has yielded accurate average reaction zone descriptions in one-, two- and three- dimensional hydrodynamic code calculations. The next generation reactive flow model requires improved equations of state and temperature dependent chemical kinetics. Such a model is being developed for the ALE3D hydrodynamic code, in which heat transfer and Arrhenius kinetics are intimately linked to the hydrodynamics.« less

Grid-size dependence of Cauchy boundary conditions used to simulate stream-aquifer interactions

USGS Publications Warehouse

Mehl, S.; Hill, M.C.

2010-01-01

This work examines the simulation of stream–aquifer interactions as grids are refined vertically and horizontally and suggests that traditional methods for calculating conductance can produce inappropriate values when the grid size is changed. Instead, different grid resolutions require different estimated values. Grid refinement strategies considered include global refinement of the entire model and local refinement of part of the stream. Three methods of calculating the conductance of the Cauchy boundary conditions are investigated. Single- and multi-layer models with narrow and wide streams produced stream leakages that differ by as much as 122% as the grid is refined. Similar results occur for globally and locally refined grids, but the latter required as little as one-quarter the computer execution time and memory and thus are useful for addressing some scale issues of stream–aquifer interactions. Results suggest that existing grid-size criteria for simulating stream–aquifer interactions are useful for one-layer models, but inadequate for three-dimensional models. The grid dependence of the conductance terms suggests that values for refined models using, for example, finite difference or finite-element methods, cannot be determined from previous coarse-grid models or field measurements. Our examples demonstrate the need for a method of obtaining conductances that can be translated to different grid resolutions and provide definitive test cases for investigating alternative conductance formulations.

Effects of inflow distortion profiles on fan tone noise calculated using a 3-D theory

NASA Technical Reports Server (NTRS)

Kobayashi, H.; Groeneweg, J. F.

1979-01-01

Calculations of the fan tone acoustic power and modal structure generated by complex distortions in axial inflow velocity are presented. The model used treats the motor as a rotating three-dimensional cascade and calculates the acoustic field from the distortion-produced dipole distribution on the blades including noncompact source effects. Radial and circumferential distortion shapes are synthesized from Fourier-Bessel components representing individual distortion modes. The relation between individual distortion modes and the generated acoustic modes is examined for particular distortion cases. Comparisons between theoretical and experimental results for distortions produced by wakes from upstream radial rods show that the analysis is a good predictor of acoustic power dependence on disturbance strength.

Time-dependent photon migration imaging

NASA Astrophysics Data System (ADS)

Sevick, Eva M.; Wang, NaiGuang; Chance, Britton

1992-02-01

Recently, the application of both time- and frequency-resolved fluorescence techniques for the determination of photon migration characteristics in strongly scattering media has been used to characterize the optical properties in strongly scattering media. Specifically, Chance and coworkers have utilized measurement of photon migration characteristics to determine tissue hemoglobin absorbance and ultimately oxygenation status in homogeneous tissues. In this study, we present simulation results and experimental measurements for both techniques to show the capacity of time-dependent photon migration characteristics to image optically obscure absorbers located in strongly scattering media. The applications of time-dependent photon imaging in the biomedical community include imaging of light absorbing hematomas, tumors, hypoxic tissue volumes, and other tissue abnormalities. Herein, we show that the time-resolved parameter of mean photon path length, , and the frequency- resolved parameter of phase-shift, (theta) , can be used similarly to obtain three dimensional information of absorber position from two-dimensional measurements. Finally, we show that unlike imaging techniques that monitor the intensity of light without regard to the migration characteristics, the resolution of time-dependent photon migration measurements is enhanced by tissue scattering, further potentiating their use for biomedical imaging.

Unsteady flow simulations around complex geometries using stationary or rotating unstructured grids

NASA Astrophysics Data System (ADS)

Sezer-Uzol, Nilay

In this research, the computational analysis of three-dimensional, unsteady, separated, vortical flows around complex geometries is studied by using stationary or moving unstructured grids. Two main engineering problems are investigated. The first problem is the unsteady simulation of a ship airwake, where helicopter operations become even more challenging, by using stationary unstructured grids. The second problem is the unsteady simulation of wind turbine rotor flow fields by using moving unstructured grids which are rotating with the whole three-dimensional rigid rotor geometry. The three dimensional, unsteady, parallel, unstructured, finite volume flow solver, PUMA2, is used for the computational fluid dynamics (CFD) simulations considered in this research. The code is modified to have a moving grid capability to perform three-dimensional, time-dependent rotor simulations. An instantaneous log-law wall model for Large Eddy Simulations is also implemented in PUMA2 to investigate the very large Reynolds number flow fields of rotating blades. To verify the code modifications, several sample test cases are also considered. In addition, interdisciplinary studies, which are aiming to provide new tools and insights to the aerospace and wind energy scientific communities, are done during this research by focusing on the coupling of ship airwake CFD simulations with the helicopter flight dynamics and control analysis, the coupling of wind turbine rotor CFD simulations with the aeroacoustic analysis, and the analysis of these time-dependent and large-scale CFD simulations with the help of a computational monitoring, steering and visualization tool, POSSE.

Calculation of Energetic Ion Tail from Ion Cyclotron Resonance Frequency Heating

NASA Astrophysics Data System (ADS)

Wang, Jianguo; Li, Youyi; Li, Jiangang

1994-04-01

The second harmonic frequency of hydrogen ion cyclotron resonance heating experiment on HT-6M tokamak was studied by adding the quasi-linear wave-ion interaction term in the two-dimensional (velocity space), time-dependent, nonlinear and multispecies Fokker-Planck equation. The temporal evolution of ion distribution function and relevant parameters were calculated and compared with experiment data. The calculation shows that the ion temperature increases, high-energy ion tail (above 5 keV) and anisotropy appear when the wave is injected to plasma. The simulations are in reasonable agreement with experiment data.

Three-dimensional organization of vestibular related eye movements to rotational motion in pigeons

NASA Technical Reports Server (NTRS)

Dickman, J. D.; Beyer, M.; Hess, B. J.

2000-01-01

During rotational motions, compensatory eye movement adjustments must continually occur in order to maintain objects of visual interest as stable images on the retina. In the present study, the three-dimensional organization of the vestibulo-ocular reflex in pigeons was quantitatively examined. Rotations about different head axes produced horizontal, vertical, and torsional eye movements, whose component magnitude was dependent upon the cosine of the stimulus axis relative to the animal's visual axis. Thus, the three-dimensional organization of the VOR in pigeons appears to be compensatory for any direction of head rotation. Frequency responses of the horizontal, vertical, and torsional slow phase components exhibited high pass filter properties with dominant time constants of approximately 3 s.

First-principles X-ray absorption dose calculation for time-dependent mass and optical density.

PubMed

Berejnov, Viatcheslav; Rubinstein, Boris; Melo, Lis G A; Hitchcock, Adam P

2018-05-01

A dose integral of time-dependent X-ray absorption under conditions of variable photon energy and changing sample mass is derived from first principles starting with the Beer-Lambert (BL) absorption model. For a given photon energy the BL dose integral D(e, t) reduces to the product of an effective time integral T(t) and a dose rate R(e). Two approximations of the time-dependent optical density, i.e. exponential A(t) = c + aexp(-bt) for first-order kinetics and hyperbolic A(t) = c + a/(b + t) for second-order kinetics, were considered for BL dose evaluation. For both models three methods of evaluating the effective time integral are considered: analytical integration, approximation by a function, and calculation of the asymptotic behaviour at large times. Data for poly(methyl methacrylate) and perfluorosulfonic acid polymers measured by scanning transmission soft X-ray microscopy were used to test the BL dose calculation. It was found that a previous method to calculate time-dependent dose underestimates the dose in mass loss situations, depending on the applied exposure time. All these methods here show that the BL dose is proportional to the exposure time D(e, t) ≃ K(e)t.

Investigation of Fully Three-Dimensional Helical RF Field Effects on TWT Beam/Circuit Interaction

NASA Technical Reports Server (NTRS)

Kory, Carol L.

2000-01-01

A fully three-dimensional (3D), time-dependent, helical traveling wave-tube (TWT) interaction model has been developed using the electromagnetic particle-in-cell (PIC) code MAFIA. The model includes a short section of helical slow-wave circuit with excitation fed by RF input/output couplers, and electron beam contained by periodic permanent magnet (PPM) focusing. All components of the model are simulated in three dimensions allowing the effects of the fully 3D helical fields on RF circuit/beam interaction to be investigated for the first time. The development of the interaction model is presented, and predicted TWT performance using 2.5D and 3D models is compared to investigate the effect of conventional approximations used in TWT analyses.

Temperature dependence of Ti:Sapphire fluorescence spectra for the design of cryogenic cooled Ti:Sapphire CPA laser.

PubMed

Burton, Harry; Debardelaben, Christopher; Amir, Wafa; Planchon, Thomas A

2017-03-20

The fluorescence spectra of titanium doped sapphire (Ti:Sapphire) crystals were measured for temperature ranging from 300K to 77K. The resulting gain cross-section line shapes were calculated and used in a three-dimensional amplification model to illustrate the importance of the precise knowledge of these fluorescence spectra for the design of cryogenic cooled Ti:Sapphire based chirped-pulse laser amplifiers.

Three Dimensional Grid Generation for Complex Configurations - Recent Progress

DTIC Science & Technology

1988-03-01

Navier/Stokes finite difference calculations currently of interest. It has been amply demonstrated that the viability of a numerical solution depends...such as advanced fighters or logistic transports, where a multiblock mesh, for example, is necessary. There exist numerous reports and books on the...MESHES I 3.10 ADAPTIVE GRID SCHEMES 10 3.11 REFERENCES 12 4. CONTRIBUTIONS 13 4.1 SOLICITATION AND OVERVIEW 13 4.2 LESSONS LEARNED IN THE MESH

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.

It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption ofmore » a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc. Here, at 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.« less

Neutrinos from type Ia supernovae: The deflagration-to-detonation transition scenario

DOE PAGES

Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.; ...

2016-07-19

It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption ofmore » a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc. Here, at 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.« less

The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Feng; Ren, Yinghui; Bian, Wensheng, E-mail: bian@iccas.ac.cn

The accurate time-independent quantum dynamics calculations on the ground-state tunneling splitting of malonaldehyde in full dimensionality are reported for the first time. This is achieved with an efficient method developed by us. In our method, the basis functions are customized for the hydrogen transfer process which has the effect of greatly reducing the size of the final Hamiltonian matrix, and the Lanczos method and parallel strategy are used to further overcome the memory and central processing unit time bottlenecks. The obtained ground-state tunneling splitting of 24.5 cm{sup −1} is in excellent agreement with the benchmark value of 23.8 cm{sup −1}more » computed with the full-dimensional, multi-configurational time-dependent Hartree approach on the same potential energy surface, and we estimate that our reported value has an uncertainty of less than 0.5 cm{sup −1}. Moreover, the role of various vibrational modes strongly coupled to the hydrogen transfer process is revealed.« less

Analysis of oxidation of self-baking electrodes (Soederberg electrodes) by means of three-dimensional model

NASA Astrophysics Data System (ADS)

Pashnin, S. V.

2017-10-01

The paper presents the methodology and results of the development of the temperature dependence of the oxidation speed of the self-baking electrode (Soederberg Electrodes) in the ore-thermal furnaces. For the study of oxidation, the working ends of the self-baking electrodes, which were taken out from the ore-thermal furnaces after their scabbings, were used. The temperature of the electrode surface by its height was calculated with the help of the mathematical model of heat work of self-baking electrode. The comparison of electrode surface temperatures with the speed of oxidation of the electrode allowed one to obtain the temperature dependency of the oxidation of the lateral electrode surface. Comparison of the experimental data, obtained in the laboratory by various authors, showed their qualitative coincidence with results of calculations of the oxidation rate presented in this article. With the help of the mathematical model of temperatures fields of electrode, the calculations of the sizes of the cracks, appearing after burnout ribs, were performed. Calculations showed that the sizes of the cracks after the ribs burnout, calculated by means of the obtained temperature dependence, coincide with the experimental data with sufficient accuracy.

Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces.

PubMed

Richings, Gareth W; Habershon, Scott

2017-09-12

We describe a method for performing nuclear quantum dynamics calculations using standard, grid-based algorithms, including the multiconfiguration time-dependent Hartree (MCTDH) method, where the potential energy surface (PES) is calculated "on-the-fly". The method of Gaussian process regression (GPR) is used to construct a global representation of the PES using values of the energy at points distributed in molecular configuration space during the course of the wavepacket propagation. We demonstrate this direct dynamics approach for both an analytical PES function describing 3-dimensional proton transfer dynamics in malonaldehyde and for 2- and 6-dimensional quantum dynamics simulations of proton transfer in salicylaldimine. In the case of salicylaldimine we also perform calculations in which the PES is constructed using Hartree-Fock calculations through an interface to an ab initio electronic structure code. In all cases, the results of the quantum dynamics simulations are in excellent agreement with previous simulations of both systems yet do not require prior fitting of a PES at any stage. Our approach (implemented in a development version of the Quantics package) opens a route to performing accurate quantum dynamics simulations via wave function propagation of many-dimensional molecular systems in a direct and efficient manner.

Three-Dimensional Measurement of the Helicity-Dependent Forces on a Mie Particle.

PubMed

Liu, Lulu; Di Donato, Andrea; Ginis, Vincent; Kheifets, Simon; Amirzhan, Arman; Capasso, Federico

2018-06-01

Recently, it was shown that a Mie particle in an evanescent field ought to experience optical forces that depend on the helicity of the totally internally reflected beam. As yet, a direct measurement of such helicity-dependent forces has been elusive, as the widely differing force magnitudes in the three spatial dimensions place stringent demands on a measurement's sensitivity and range. In this study, we report the simultaneous measurement of all components of this polarization-dependent optical force by using a 3D force spectroscopy technique with femtonewton sensitivity. The vector force fields are compared quantitatively with our theoretical calculations as the polarization state of the incident light is varied and show excellent agreement. By plotting the 3D motion of the Mie particle in response to the switched force field, we offer visual evidence of the effect of spin momentum on the Poynting vector of an evanescent optical field.

Three-Dimensional Measurement of the Helicity-Dependent Forces on a Mie Particle

NASA Astrophysics Data System (ADS)

Liu, Lulu; Di Donato, Andrea; Ginis, Vincent; Kheifets, Simon; Amirzhan, Arman; Capasso, Federico

2018-06-01

Recently, it was shown that a Mie particle in an evanescent field ought to experience optical forces that depend on the helicity of the totally internally reflected beam. As yet, a direct measurement of such helicity-dependent forces has been elusive, as the widely differing force magnitudes in the three spatial dimensions place stringent demands on a measurement's sensitivity and range. In this study, we report the simultaneous measurement of all components of this polarization-dependent optical force by using a 3D force spectroscopy technique with femtonewton sensitivity. The vector force fields are compared quantitatively with our theoretical calculations as the polarization state of the incident light is varied and show excellent agreement. By plotting the 3D motion of the Mie particle in response to the switched force field, we offer visual evidence of the effect of spin momentum on the Poynting vector of an evanescent optical field.

Quantitative CT: technique dependence of volume estimation on pulmonary nodules

NASA Astrophysics Data System (ADS)

Chen, Baiyu; Barnhart, Huiman; Richard, Samuel; Colsher, James; Amurao, Maxwell; Samei, Ehsan

2012-03-01

Current estimation of lung nodule size typically relies on uni- or bi-dimensional techniques. While new three-dimensional volume estimation techniques using MDCT have improved size estimation of nodules with irregular shapes, the effect of acquisition and reconstruction parameters on accuracy (bias) and precision (variance) of the new techniques has not been fully investigated. To characterize the volume estimation performance dependence on these parameters, an anthropomorphic chest phantom containing synthetic nodules was scanned and reconstructed with protocols across various acquisition and reconstruction parameters. Nodule volumes were estimated by a clinical lung analysis software package, LungVCAR. Precision and accuracy of the volume assessment were calculated across the nodules and compared between protocols via a generalized estimating equation analysis. Results showed that the precision and accuracy of nodule volume quantifications were dependent on slice thickness, with different dependences for different nodule characteristics. Other parameters including kVp, pitch, and reconstruction kernel had lower impact. Determining these technique dependences enables better volume quantification via protocol optimization and highlights the importance of consistent imaging parameters in sequential examinations.

Determination of space shuttle flow field by the three-dimensional method of characteristics

NASA Technical Reports Server (NTRS)

Chu, C.; Powers, S. A.

1972-01-01

The newly improved three-dimensional method of characteristics program has been applied successfully to the calculation of flow fields over a variety of bodies including slab delta wings and shuttle orbiters. Flow fields over fuselage shapes for Mach numbers as low as 1.5 have been calculated. Some typical results are presented.

Effect of axial magnetic field on three-dimensional instability of natural convection in a vertical Bridgman growth configuration

NASA Astrophysics Data System (ADS)

Gelfgat, A. Yu.; Bar-Yoseph, P. Z.; Solan, A.

2001-08-01

A study of the effect of an externally imposed magnetic field on the axisymmetry-breaking instability of an axisymmetric convective flow, associated with crystal growth from bulk of melt, is presented. Convection in a vertical cylinder with a parabolic temperature profile on the sidewall is considered as a representative model. A parametric study of the dependence of the critical Grashof number Gr cr on the Hartmann number Ha for fixed values of the Prandtl number (Pr=0.015) and the aspect ratio of the cylinder ( A=height/radius=1, 2 and 3) is carried out. The stability diagram Gr cr(Ha) corresponding to the axisymmetric—three-dimensional transition for increasing values of the axial magnetic field is obtained. The calculations are done using the spectral Galerkin method allowing an effective and accurate three-dimensional stability analysis. It is shown that at relatively small values of Ha the axisymmetric flow tends to be oscillatory unstable. After the magnitude of the magnetic field (Ha) exceeds a certain value the instability switches to a steady bifurcation caused by the Rayleigh-Bénard mechanism.

Topographic stress and catastrophic collapse of volcanic islands

NASA Astrophysics Data System (ADS)

Moon, S.; Perron, J. T.; Martel, S. J.

2017-12-01

Flank collapse of volcanic islands can devastate coastal environments and potentially induce tsunamis. Previous studies have suggested that factors such as volcanic eruption events, gravitational spreading, the reduction of material strength due to hydrothermal alteration, steep coastal cliffs, or sea level change may contribute to slope instability and induce catastrophic collapse of volcanic flanks. In this study, we examine the potential influence of three-dimensional topographic stress perturbations on flank collapses of volcanic islands. Using a three-dimensional boundary element model, we calculate subsurface stress fields for the Canary and Hawaiian islands to compare the effects of stratovolcano and shield volcano shapes on topographic stresses. Our model accounts for gravitational stresses from the actual shapes of volcanic islands, ambient stress in the underlying plate, and the influence of pore water pressure. We quantify the potential for slope failure of volcanic flanks using a combined model of three-dimensional topographic stress and slope stability. The results of our analysis show that subsurface stress fields vary substantially depending on the shapes of volcanoes, and can influence the size and spatial distribution of flank failures.

Improved full analytical polygon-based method using Fourier analysis of the three-dimensional affine transformation.

PubMed

Pan, Yijie; Wang, Yongtian; Liu, Juan; Li, Xin; Jia, Jia

2014-03-01

Previous research [Appl. Opt.52, A290 (2013)] has revealed that Fourier analysis of three-dimensional affine transformation theory can be used to improve the computation speed of the traditional polygon-based method. In this paper, we continue our research and propose an improved full analytical polygon-based method developed upon this theory. Vertex vectors of primitive and arbitrary triangles and the pseudo-inverse matrix were used to obtain an affine transformation matrix representing the spatial relationship between the two triangles. With this relationship and the primitive spectrum, we analytically obtained the spectrum of the arbitrary triangle. This algorithm discards low-level angular dependent computations. In order to add diffusive reflection to each arbitrary surface, we also propose a whole matrix computation approach that takes advantage of the affine transformation matrix and uses matrix multiplication to calculate shifting parameters of similar sub-polygons. The proposed method improves hologram computation speed for the conventional full analytical approach. Optical experimental results are demonstrated which prove that the proposed method can effectively reconstruct three-dimensional scenes.

OMFIT Tokamak Profile Data Fitting and Physics Analysis

DOE PAGES

Logan, N. C.; Grierson, B. A.; Haskey, S. R.; ...

2018-01-22

Here, One Modeling Framework for Integrated Tasks (OMFIT) has been used to develop a consistent tool for interfacing with, mapping, visualizing, and fitting tokamak profile measurements. OMFIT is used to integrate the many diverse diagnostics on multiple tokamak devices into a regular data structure, consistently applying spatial and temporal treatments to each channel of data. Tokamak data are fundamentally time dependent and are treated so from the start, with front-loaded and logic-based manipulations such as filtering based on the identification of edge-localized modes (ELMs) that commonly scatter data. Fitting is general in its approach, and tailorable in its application inmore » order to address physics constraints and handle the multiple spatial and temporal scales involved. Although community standard one-dimensional fitting is supported, including scale length–fitting and fitting polynomial-exponential blends to capture the H-mode pedestal, OMFITprofiles includes two-dimensional (2-D) fitting using bivariate splines or radial basis functions. These 2-D fits produce regular evolutions in time, removing jitter that has historically been smoothed ad hoc in transport applications. Profiles interface directly with a wide variety of models within the OMFIT framework, providing the inputs for TRANSP, kinetic-EFIT 2-D equilibrium, and GPEC three-dimensional equilibrium calculations. he OMFITprofiles tool’s rapid and comprehensive analysis of dynamic plasma profiles thus provides the critical link between raw tokamak data and simulations necessary for physics understanding.« less

OMFIT Tokamak Profile Data Fitting and Physics Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Logan, N. C.; Grierson, B. A.; Haskey, S. R.

Here, One Modeling Framework for Integrated Tasks (OMFIT) has been used to develop a consistent tool for interfacing with, mapping, visualizing, and fitting tokamak profile measurements. OMFIT is used to integrate the many diverse diagnostics on multiple tokamak devices into a regular data structure, consistently applying spatial and temporal treatments to each channel of data. Tokamak data are fundamentally time dependent and are treated so from the start, with front-loaded and logic-based manipulations such as filtering based on the identification of edge-localized modes (ELMs) that commonly scatter data. Fitting is general in its approach, and tailorable in its application inmore » order to address physics constraints and handle the multiple spatial and temporal scales involved. Although community standard one-dimensional fitting is supported, including scale length–fitting and fitting polynomial-exponential blends to capture the H-mode pedestal, OMFITprofiles includes two-dimensional (2-D) fitting using bivariate splines or radial basis functions. These 2-D fits produce regular evolutions in time, removing jitter that has historically been smoothed ad hoc in transport applications. Profiles interface directly with a wide variety of models within the OMFIT framework, providing the inputs for TRANSP, kinetic-EFIT 2-D equilibrium, and GPEC three-dimensional equilibrium calculations. he OMFITprofiles tool’s rapid and comprehensive analysis of dynamic plasma profiles thus provides the critical link between raw tokamak data and simulations necessary for physics understanding.« less

One-dimensional time-dependent fluid model of a very high density low-pressure inductively coupled plasma

NASA Astrophysics Data System (ADS)

Chaplin, Vernon H.; Bellan, Paul M.

2015-12-01

A time-dependent two-fluid model has been developed to understand axial variations in the plasma parameters in a very high density (peak ne≳ 5 ×1019 m-3 ) argon inductively coupled discharge in a long 1.1 cm radius tube. The model equations are written in 1D with radial losses to the tube walls accounted for by the inclusion of effective particle and energy sink terms. The ambipolar diffusion equation and electron energy equation are solved to find the electron density ne(z ,t ) and temperature Te(z ,t ) , and the populations of the neutral argon 4s metastable, 4s resonant, and 4p excited state manifolds are calculated to determine the stepwise ionization rate and calculate radiative energy losses. The model has been validated through comparisons with Langmuir probe ion saturation current measurements; close agreement between the simulated and measured axial plasma density profiles and the initial density rise rate at each location was obtained at pA r=30 -60 mTorr . We present detailed results from calculations at 60 mTorr, including the time-dependent electron temperature, excited state populations, and energy budget within and downstream of the radiofrequency antenna.

Rich stochastic dynamics of co-doped Er:Yb fluorescence upconversion nanoparticles in the presence of thermal, non-conservative, harmonic and optical forces

NASA Astrophysics Data System (ADS)

Nome, Rene A.; Sorbello, Cecilia; Jobbágy, Matías; Barja, Beatriz C.; Sanches, Vitor; Cruz, Joyce S.; Aguiar, Vinicius F.

2017-03-01

The stochastic dynamics of individual co-doped Er:Yb upconversion nanoparticles (UCNP) were investigated from experiments and simulations. The UCNP were characterized by high-resolution scanning electron microscopy, dynamic light scattering, and zeta potential measurements. Single UCNP measurements were performed by fluorescence upconversion micro-spectroscopy and optical trapping. The mean-square displacement (MSD) from single UCNP exhibited a time-dependent diffusion coefficient which was compared with Brownian dynamics simulations of a viscoelastic model of harmonically bound spheres. Experimental time-dependent two-dimensional trajectories of individual UCNP revealed correlated two-dimensional nanoparticle motion. The measurements were compared with stochastic trajectories calculated in the presence of a non-conservative rotational force field. Overall, the complex interplay of UCNP adhesion, thermal fluctuations and optical forces led to a rich stochastic behavior of these nanoparticles.

On numerical model of one-dimensional time-dependent gas flows through bed of encapsulated phase change material

NASA Astrophysics Data System (ADS)

Lutsenko, N. A.; Fetsov, S. S.

2017-10-01

Mathematical model and numerical method are proposed for investigating the one-dimensional time-dependent gas flows through a packed bed of encapsulated Phase Change Material (PCM). The model is based on the assumption of interacting interpenetrating continua and includes equations of state, continuity, momentum conservation and energy for PCM and gas. The advantage of the method is that it does not require predicting the location of phase transition zone and can define it automatically as in a usual shock-capturing method. One of the applications of the developed numerical model is the simulation of novel Adiabatic Compressed Air Energy Storage system (A-CAES) with Thermal Energy Storage subsystem (TES) based on using the encapsulated PCM in packed bed. Preliminary test calculations give hope that the method can be effectively applied in the future for modelling the charge and discharge processes in such TES with PCM.

MCNP capabilities for nuclear well logging calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forster, R.A.; Little, R.C.; Briesmeister, J.F.

The Los Alamos Radiation Transport Code System (LARTCS) consists of state-of-the-art Monte Carlo and discrete ordinates transport codes and data libraries. This paper discusses how the general-purpose continuous-energy Monte Carlo code MCNP ({und M}onte {und C}arlo {und n}eutron {und p}hoton), part of the LARTCS, provides a computational predictive capability for many applications of interest to the nuclear well logging community. The generalized three-dimensional geometry of MCNP is well suited for borehole-tool models. SABRINA, another component of the LARTCS, is a graphics code that can be used to interactively create a complex MCNP geometry. Users can define many source and tallymore » characteristics with standard MCNP features. The time-dependent capability of the code is essential when modeling pulsed sources. Problems with neutrons, photons, and electrons as either single particle or coupled particles can be calculated with MCNP. The physics of neutron and photon transport and interactions is modeled in detail using the latest available cross-section data.« less

Lagrangian Statistics of Slightly Buoyant Droplets in Isotropic Turbulence

NASA Astrophysics Data System (ADS)

Gopalan, Balaji; Malkiel, Edwin; Katz, Joseph

2006-11-01

This project examines the dynamics of slightly buoyant diesel droplets in isotropic turbulence using high speed in-line digital Holographic PIV. A cloud of droplets with specific gravity of 0.85 is injected into the central portion of an isotropic turbulence facility. The droplet trajectories are measured in a 50x50x50 mm̂3 sample volume using high speed in-line digital holography. An automated program has been developed to obtain accurate time history of droplet velocities. Data analysis determines the PDF of velocity and acceleration in three dimensions. The time histories enable us to calculate the three dimensional Lagrangian velocity autocorrelation function, and from them the diffusion coefficients. Due to buoyancy the vertical diffusion time scale exceeds the horizontal one by about 65% .The diffusion coefficients vary between 2.8 cm̂2/sec in the horizontal direction to 5.5 cm̂2/sec in the vertical direction. For droplets with size varying from 2 to 11 Kolmogorov scales there are no clear trends with size. The variations of diffusion rates for different turbulent intensities and the effect of finite window size are presently examined. For shorter time scales, when the diffusion need not be Fickian the three dimensional trajectories can be used to calculate the generalized dispersion tensor and measure the time elapsed for diffusion to become Fickian.

Calculation of unsteady transonic flows with mild separation by viscous-inviscid interaction

NASA Technical Reports Server (NTRS)

Howlett, James T.

1992-01-01

This paper presents a method for calculating viscous effects in two- and three-dimensional unsteady transonic flow fields. An integral boundary-layer method for turbulent viscous flow is coupled with the transonic small-disturbance potential equation in a quasi-steady manner. The viscous effects are modeled with Green's lag-entrainment equations for attached flow and an inverse boundary-layer method for flows that involve mild separation. The boundary-layer method is used stripwise to approximate three-dimensional effects. Applications are given for two-dimensional airfoils, aileron buzz, and a wing planform. Comparisons with inviscid calculations, other viscous calculation methods, and experimental data are presented. The results demonstrate that the present technique can economically and accurately calculate unsteady transonic flow fields that have viscous-inviscid interactions with mild flow separation.

A theory of the Io phase asymmetry of the Jovian decametric radiation

NASA Technical Reports Server (NTRS)

Hashimoto, K.; Goldstein, M. L.

1982-01-01

An explanation of an asymmetry in the occurrence probability of the Io-dependent Jovian decametric radiation is proposed. Io generates stronger Alfven waves toward the south when it is in the northern part of the torus. This wave then generates decametric radiation in the northern ionosphere after it reflects in the southern ionosphere. The asymmetry then results from computing the propagation time of the alfven wave along this trajectory. The ray paths of the decameter radiation are calculated using a three dimensional ray tracing program in the Jovian ionosphere. Variations in the expected probability plots are computer for two models of the Jovian ionosphere and global magnetic field, as well as for several choices of the ratio of the radiated frequency to the X-mode cutoff frequency.

Quantum tunneling with friction

NASA Astrophysics Data System (ADS)

Tokieda, M.; Hagino, K.

2017-05-01

Using the phenomenological quantum friction models introduced by P. Caldirola [Nuovo Cimento 18, 393 (1941), 10.1007/BF02960144] and E. Kanai [Prog. Theor. Phys. 3, 440 (1948), 10.1143/ptp/3.4.440], M. D. Kostin [J. Chem. Phys. 57, 3589 (1972), 10.1063/1.1678812], and K. Albrecht [Phys. Lett. B 56, 127 (1975), 10.1016/0370-2693(75)90283-X], we study quantum tunneling of a one-dimensional potential in the presence of energy dissipation. To this end, we calculate the tunneling probability using a time-dependent wave-packet method. The friction reduces the tunneling probability. We show that the three models provide similar penetrabilities to each other, among which the Caldirola-Kanai model requires the least numerical effort. We also discuss the effect of energy dissipation on quantum tunneling in terms of barrier distributions.

Model modifications for simulation of flow through stratified rocks in eastern Ohio

USGS Publications Warehouse

Helgesen, J.O.; Razem, A.C.; Larson, S.P.

1982-01-01

A quasi three-dimensional groundwater flow model is being used as part of a study to determine impacts of coal-strip mining on local hydrologic systems. Modifications to the model were necessary to simulate local hydrologic conditions properly. Perched water tables required that the method of calculating vertical flow rate be changed. A head-dependent spring-discharge function and a head-dependent stream aquifer-interchange function were added to the program. Modifications were also made to allow recharge from precipitation to any layer. The modified program, data deck instructions, and sample input and output are presented. (USGS)

On the construction of a direct numerical simulation of a breaking inertia-gravity wave in the upper mesosphere

NASA Astrophysics Data System (ADS)

Fruman, Mark D.; Remmler, Sebastian; Achatz, Ulrich; Hickel, Stefan

2014-10-01

A systematic approach to the direct numerical simulation (DNS) of breaking upper mesospheric inertia-gravity waves of amplitude close to or above the threshold for static instability is presented. Normal mode or singular vector analysis applied in a frame of reference moving with the phase velocity of the wave (in which the wave is a steady solution) is used to determine the most likely scale and structure of the primary instability and to initialize nonlinear "2.5-D" simulations (with three-dimensional velocity and vorticity fields but depending only on two spatial coordinates). Singular vector analysis is then applied to the time-dependent 2.5-D solution to predict the transition of the breaking event to three-dimensional turbulence and to initialize three-dimensional DNS. The careful choice of the computational domain and the relatively low Reynolds numbers, on the order of 25,000, relevant to breaking waves in the upper mesosphere, makes the three-dimensional DNS tractable with present-day computing clusters. Three test cases are presented: a statically unstable low-frequency inertia-gravity wave, a statically and dynamically stable inertia-gravity wave, and a statically unstable high-frequency gravity wave. The three-dimensional DNS are compared to ensembles of 2.5-D simulations. In general, the decay of the wave and generation of turbulence is faster in three dimensions, but the results are otherwise qualitatively and quantitatively similar, suggesting that results of 2.5-D simulations are meaningful if the domain and initial condition are chosen properly.

Three-dimensional viscous rotor flow calculations using a viscous-inviscid interaction approach

NASA Technical Reports Server (NTRS)

Chen, Ching S.; Bridgeman, John O.

1990-01-01

A three-dimensional viscous-inviscid interaction analysis was developed to predict the performance of rotors in hover and in forward flight at subsonic and transonic tip speeds. The analysis solves the full-potential and boundary-layer equations by finite-difference numerical procedures. Calculations were made for several different model rotor configurations. The results were compared with predictions from a two-dimensional integral method and with experimental data. The comparisons show good agreement between predictions and test data.

Tracer transport for realistic aircraft emission scenarios calculated using a three-dimensional model

NASA Technical Reports Server (NTRS)

Weaver, Clark J.; Douglass, Anne R.; Rood, Richard B.

1995-01-01

A three-dimensional transport model, which uses winds from a stratospheric data assimilation system, is used to study the transport of supersonic aircraft exhaust in the lower stratosphere. A passive tracer is continuously injected into the transport model. The tracer source distribution is based on realistic scenarios for the daily emission rate of reactive nitrogen species for all forecasted flight routes. Winds are from northern hemisphere winter/spring months for 1979 and 1989; there are minimal differences between the tracer integrations for the 2 years. During the integration, peak tracer mixing ratios in the flight corridors are compared with the zonal mean and found to be greater by a factor of 2 or less. This implies that the zonal mean assumption used in two dimensional models is reasonable during winter and spring. There is a preference for pollutant buildup in the heavily traveled North Pacific and North Atlantic flight corridors. Pollutant concentration in the corridors depends on the position of the Aleutian anticyclone and the northern hemisphere polar vortex edge.

Fluctuations and symmetries in two-dimensional active gels.

PubMed

Sarkar, N; Basu, A

2011-04-01

Motivated by the unique physical properties of biological active matter, e.g., cytoskeletal dynamics in eukaryotic cells, we set up effective two-dimensional (2d) coarse-grained hydrodynamic equations for the dynamics of thin active gels with polar or nematic symmetries. We use the well-known three-dimensional (3d) descriptions (K. Kruse et al., Eur. Phys. J. E 16, 5 (2005); A. Basu et al., Eur. Phys. J. E 27, 149 (2008)) for thin active-gel samples confined between parallel plates with appropriate boundary conditions to derive the effective 2d constitutive relations between appropriate thermodynamic fluxes and generalised forces for small deviations from equilibrium. We consider three distinct cases, characterised by spatial symmetries and boundary conditions, and show how such considerations dictate the structure of the constitutive relations. We use these to study the linear instabilities, calculate the correlation functions and the diffusion constant of a small tagged particle, and elucidate their dependences on the activity or nonequilibrium drive.

Reliability of tunnel angle in ACL reconstruction: two-dimensional versus three-dimensional guide technique.

PubMed

Leiter, Jeff R S; de Korompay, Nevin; Macdonald, Lindsey; McRae, Sheila; Froese, Warren; Macdonald, Peter B

2011-08-01

To compare the reliability of tibial tunnel position and angle produced with a standard ACL guide (two-dimensional guide) or Howell 65° Guide (three-dimensional guide) in the coronal and sagittal planes. In the sagittal plane, the dependent variables were the angle of the tibial tunnel relative to the tibial plateau and the position of the tibial tunnel with respect to the most posterior aspect of the tibia. In the coronal plane, the dependent variables were the angle of the tunnel with respect to the medial joint line of the tibia and the medial and lateral placement of the tibial tunnel relative to the most medial aspect of the tibia. The position and angle of the tibial tunnel in the coronal and sagittal planes were determined from anteroposterior and lateral radiographs, respectively, taken 2-6 months postoperatively. The two-dimensional and three-dimensional guide groups included 28 and 24 sets of radiographs, respectively. Tibial tunnel position was identified, and tunnel angle measurements were completed. Multiple investigators measured the position and angle of the tunnel 3 times, at least 7 days apart. The angle of the tibial tunnel in the coronal plane using a two-dimensional guide (61.3 ± 4.8°) was more horizontal (P < 0.05) than tunnels drilled with a three-dimensional guide (64.7 ± 6.2°). The position of the tibial tunnel in the sagittal plane was more anterior (P < 0.05) in the two-dimensional (41.6 ± 2.5%) guide group compared to the three-dimensional guide group (43.3 ± 2.9%). The Howell Tibial Guide allows for reliable placement of the tibial tunnel in the coronal plane at an angle of 65°. Tibial tunnels were within the anatomical footprint of the ACL with either technique. Future studies should investigate the effects of tibial tunnel angle on knee function and patient quality of life. Case-control retrospective comparative study, Level III.

Real-time estimation of prostate tumor rotation and translation with a kV imaging system based on an iterative closest point algorithm.

PubMed

Tehrani, Joubin Nasehi; O'Brien, Ricky T; Poulsen, Per Rugaard; Keall, Paul

2013-12-07

Previous studies have shown that during cancer radiotherapy a small translation or rotation of the tumor can lead to errors in dose delivery. Current best practice in radiotherapy accounts for tumor translations, but is unable to address rotation due to a lack of a reliable real-time estimate. We have developed a method based on the iterative closest point (ICP) algorithm that can compute rotation from kilovoltage x-ray images acquired during radiation treatment delivery. A total of 11 748 kilovoltage (kV) images acquired from ten patients (one fraction for each patient) were used to evaluate our tumor rotation algorithm. For each kV image, the three dimensional coordinates of three fiducial markers inside the prostate were calculated. The three dimensional coordinates were used as input to the ICP algorithm to calculate the real-time tumor rotation and translation around three axes. The results show that the root mean square error was improved for real-time calculation of tumor displacement from a mean of 0.97 mm with the stand alone translation to a mean of 0.16 mm by adding real-time rotation and translation displacement with the ICP algorithm. The standard deviation (SD) of rotation for the ten patients was 2.3°, 0.89° and 0.72° for rotation around the right-left (RL), anterior-posterior (AP) and superior-inferior (SI) directions respectively. The correlation between all six degrees of freedom showed that the highest correlation belonged to the AP and SI translation with a correlation of 0.67. The second highest correlation in our study was between the rotation around RL and rotation around AP, with a correlation of -0.33. Our real-time algorithm for calculation of rotation also confirms previous studies that have shown the maximum SD belongs to AP translation and rotation around RL. ICP is a reliable and fast algorithm for estimating real-time tumor rotation which could create a pathway to investigational clinical treatment studies requiring real-time measurement and adaptation to tumor rotation.

Real-time estimation of prostate tumor rotation and translation with a kV imaging system based on an iterative closest point algorithm

NASA Astrophysics Data System (ADS)

Nasehi Tehrani, Joubin; O'Brien, Ricky T.; Rugaard Poulsen, Per; Keall, Paul

2013-12-01

Previous studies have shown that during cancer radiotherapy a small translation or rotation of the tumor can lead to errors in dose delivery. Current best practice in radiotherapy accounts for tumor translations, but is unable to address rotation due to a lack of a reliable real-time estimate. We have developed a method based on the iterative closest point (ICP) algorithm that can compute rotation from kilovoltage x-ray images acquired during radiation treatment delivery. A total of 11 748 kilovoltage (kV) images acquired from ten patients (one fraction for each patient) were used to evaluate our tumor rotation algorithm. For each kV image, the three dimensional coordinates of three fiducial markers inside the prostate were calculated. The three dimensional coordinates were used as input to the ICP algorithm to calculate the real-time tumor rotation and translation around three axes. The results show that the root mean square error was improved for real-time calculation of tumor displacement from a mean of 0.97 mm with the stand alone translation to a mean of 0.16 mm by adding real-time rotation and translation displacement with the ICP algorithm. The standard deviation (SD) of rotation for the ten patients was 2.3°, 0.89° and 0.72° for rotation around the right-left (RL), anterior-posterior (AP) and superior-inferior (SI) directions respectively. The correlation between all six degrees of freedom showed that the highest correlation belonged to the AP and SI translation with a correlation of 0.67. The second highest correlation in our study was between the rotation around RL and rotation around AP, with a correlation of -0.33. Our real-time algorithm for calculation of rotation also confirms previous studies that have shown the maximum SD belongs to AP translation and rotation around RL. ICP is a reliable and fast algorithm for estimating real-time tumor rotation which could create a pathway to investigational clinical treatment studies requiring real-time measurement and adaptation to tumor rotation.

Effects of B1 inhomogeneity correction for three-dimensional variable flip angle T1 measurements in hip dGEMRIC at 3 T and 1.5 T.

PubMed

Siversson, Carl; Chan, Jenny; Tiderius, Carl-Johan; Mamisch, Tallal Charles; Jellus, Vladimir; Svensson, Jonas; Kim, Young-Jo

2012-06-01

Delayed gadolinium-enhanced MRI of cartilage is a technique for studying the development of osteoarthritis using quantitative T(1) measurements. Three-dimensional variable flip angle is a promising method for performing such measurements rapidly, by using two successive spoiled gradient echo sequences with different excitation pulse flip angles. However, the three-dimensional variable flip angle method is very sensitive to inhomogeneities in the transmitted B(1) field in vivo. In this study, a method for correcting for such inhomogeneities, using an additional B(1) mapping spin-echo sequence, was evaluated. Phantom studies concluded that three-dimensional variable flip angle with B(1) correction calculates accurate T(1) values also in areas with high B(1) deviation. Retrospective analysis of in vivo hip delayed gadolinium-enhanced MRI of cartilage data from 40 subjects showed the difference between three-dimensional variable flip angle with and without B(1) correction to be generally two to three times higher at 3 T than at 1.5 T. In conclusion, the B(1) variations should always be taken into account, both at 1.5 T and at 3 T. Copyright © 2011 Wiley-Liss, Inc.

Three dimensional thermal pollution models. Volume 1: Review of mathematical formulations. [waste heat discharge from power plants and effects on ecosystems

NASA Technical Reports Server (NTRS)

Lee, S. S.; Sengupta, S.

1978-01-01

A mathematical model package for thermal pollution analyses and prediction is presented. These models, intended as user's manuals, are three dimensional and time dependent using the primitive equation approach. Although they have sufficient generality for application at sites with diverse topographical features; they also present specific instructions regarding data preparation for program execution and sample problems. The mathematical formulation of these models is presented including assumptions, approximations, governing equations, boundary and initial conditions, numerical method of solution, and same results.

Three-dimensional phase-field simulations of directional solidification

NASA Astrophysics Data System (ADS)

Plapp, Mathis

2007-05-01

The phase-field method has become the method of choice for simulating microstructural pattern formation during solidification. One of its main advantages is that time-dependent three-dimensional simulations become feasible, which makes it possible to address long-standing questions of pattern stability and pattern selection. Here, a brief introduction to the phase-field model and its implementation is given, and its capabilities are illustrated by examples taken from the directional solidification of binary alloys. In particular, the morphological stability of hexagonal cellular arrays and of eutectic lamellar patterns is investigated.

Projectile and Lab Frame Differential Cross Sections for Electromagnetic Dissociation

NASA Technical Reports Server (NTRS)

Norbury, John W.; Adamczyk, Anne; Dick, Frank

2008-01-01

Differential cross sections for electromagnetic dissociation in nuclear collisions are calculated for the first time. In order to be useful for three - dimensional transport codes, these cross sections have been calculated in both the projectile and lab frames. The formulas for these cross sections are such that they can be immediately used in space radiation transport codes. Only a limited amount of data exists, but the comparison between theory and experiment is good.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aldridge, David F.; Bartel, Lewis C.

Program LETS calculates the electric current distribution (in space and time) along an electrically energized steel-cased geologic borehole situated within the subsurface earth. The borehole is modeled as an electrical transmission line that “leaks” current into the surrounding geology. Parameters pertinent to the transmission line current calculation (i.e., series resistance and inductance, shunt capacitance and conductance) are obtained by sampling the electromagnetic (EM) properties of a three-dimensional (3D) geologic earth model along a (possibly deviated) well track.

Quasi-one-dimensional quantum anomalous Hall systems as new platforms for scalable topological quantum computation

NASA Astrophysics Data System (ADS)

Chen, Chui-Zhen; Xie, Ying-Ming; Liu, Jie; Lee, Patrick A.; Law, K. T.

2018-03-01

Quantum anomalous Hall insulator/superconductor heterostructures emerged as a competitive platform to realize topological superconductors with chiral Majorana edge states as shown in recent experiments [He et al. Science 357, 294 (2017), 10.1126/science.aag2792]. However, chiral Majorana modes, being extended, cannot be used for topological quantum computation. In this work, we show that quasi-one-dimensional quantum anomalous Hall structures exhibit a large topological regime (much larger than the two-dimensional case) which supports localized Majorana zero energy modes. The non-Abelian properties of a cross-shaped quantum anomalous Hall junction is shown explicitly by time-dependent calculations. We believe that the proposed quasi-one-dimensional quantum anomalous Hall structures can be easily fabricated for scalable topological quantum computation.

Couplings between hierarchical conformational dynamics from multi-time correlation functions and two-dimensional lifetime spectra: Application to adenylate kinase

NASA Astrophysics Data System (ADS)

Ono, Junichi; Takada, Shoji; Saito, Shinji

2015-06-01

An analytical method based on a three-time correlation function and the corresponding two-dimensional (2D) lifetime spectrum is developed to elucidate the time-dependent couplings between the multi-timescale (i.e., hierarchical) conformational dynamics in heterogeneous systems such as proteins. In analogy with 2D NMR, IR, electronic, and fluorescence spectroscopies, the waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra can provide a quantitative description of the dynamical correlations between the conformational motions with different lifetimes. The present method is applied to intrinsic conformational changes of substrate-free adenylate kinase (AKE) using long-time coarse-grained molecular dynamics simulations. It is found that the hierarchical conformational dynamics arise from the intra-domain structural transitions among conformational substates of AKE by analyzing the one-time correlation functions and one-dimensional lifetime spectra for the donor-acceptor distances corresponding to single-molecule Förster resonance energy transfer experiments with the use of the principal component analysis. In addition, the complicated waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra for the donor-acceptor distances is attributed to the fact that the time evolution of the couplings between the conformational dynamics depends upon both the spatial and temporal characters of the system. The present method is expected to shed light on the biological relationship among the structure, dynamics, and function.

Couplings between hierarchical conformational dynamics from multi-time correlation functions and two-dimensional lifetime spectra: Application to adenylate kinase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ono, Junichi; Takada, Shoji; Department of Biophysics, Graduate School of Science, Kyoto University, Kyoto 606-8502

2015-06-07

An analytical method based on a three-time correlation function and the corresponding two-dimensional (2D) lifetime spectrum is developed to elucidate the time-dependent couplings between the multi-timescale (i.e., hierarchical) conformational dynamics in heterogeneous systems such as proteins. In analogy with 2D NMR, IR, electronic, and fluorescence spectroscopies, the waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra can provide a quantitative description of the dynamical correlations between the conformational motions with different lifetimes. The present method is applied to intrinsic conformational changes of substrate-free adenylate kinase (AKE) using long-time coarse-grained molecular dynamics simulations. It is found that the hierarchicalmore » conformational dynamics arise from the intra-domain structural transitions among conformational substates of AKE by analyzing the one-time correlation functions and one-dimensional lifetime spectra for the donor-acceptor distances corresponding to single-molecule Förster resonance energy transfer experiments with the use of the principal component analysis. In addition, the complicated waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra for the donor-acceptor distances is attributed to the fact that the time evolution of the couplings between the conformational dynamics depends upon both the spatial and temporal characters of the system. The present method is expected to shed light on the biological relationship among the structure, dynamics, and function.« less

An efficient closed-form solution for acoustic emission source location in three-dimensional structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Xibing; Dong, Longjun, E-mail: csudlj@163.com; Australian Centre for Geomechanics, The University of Western Australia, Crawley, 6009

This paper presents an efficient closed-form solution (ECS) for acoustic emission(AE) source location in three-dimensional structures using time difference of arrival (TDOA) measurements from N receivers, N ≥ 6. The nonlinear location equations of TDOA are simplified to linear equations. The unique analytical solution of AE sources for unknown velocity system is obtained by solving the linear equations. The proposed ECS method successfully solved the problems of location errors resulting from measured deviations of velocity as well as the existence and multiplicity of solutions induced by calculations of square roots in existed close-form methods.

A conservative finite difference algorithm for the unsteady transonic potential equation in generalized coordinates

NASA Technical Reports Server (NTRS)

Bridgeman, J. O.; Steger, J. L.; Caradonna, F. X.

1982-01-01

An implicit, approximate-factorization, finite-difference algorithm has been developed for the computation of unsteady, inviscid transonic flows in two and three dimensions. The computer program solves the full-potential equation in generalized coordinates in conservation-law form in order to properly capture shock-wave position and speed. A body-fitted coordinate system is employed for the simple and accurate treatment of boundary conditions on the body surface. The time-accurate algorithm is modified to a conventional ADI relaxation scheme for steady-state computations. Results from two- and three-dimensional steady and two-dimensional unsteady calculations are compared with existing methods.

Effect of the degree of disorder on electronic and optical properties in random superlattices

NASA Technical Reports Server (NTRS)

Wang, E. G.; Su, W. P.; Ting, C. S.

1994-01-01

A three-dimensional tight-binding calculation is developed and used to study disorder effects in a realistic random superlattice. With increasing disorder, a tendency of possible indirect-direct band-gap transition is suggested. Direct evidence of mobility edges between localized and extended states in three-dimensional random systems is given. As system disorder increases, the optical absorption intensities increase dramatically from five to forty-five times stronger than the ordered (GaAs)(sub 1)/(AlAs)(sub 1) superlattice. It is believed that the degree of disorder significantly affects electronic and optical properties of GaAs/AlAs random superlattices.

Three-dimensional characterization of tethered microspheres by total internal reflection fluorescence microscopy

NASA Technical Reports Server (NTRS)

Blumberg, Seth; Gajraj, Arivalagan; Pennington, Matthew W.; Meiners, Jens-Christian

2005-01-01

Tethered particle microscopy is a powerful tool to study the dynamics of DNA molecules and DNA-protein complexes in single-molecule experiments. We demonstrate that stroboscopic total internal reflection microscopy can be used to characterize the three-dimensional spatiotemporal motion of DNA-tethered particles. By calculating characteristic measures such as symmetry and time constants of the motion, well-formed tethers can be distinguished from defective ones for which the motion is dominated by aberrant surface effects. This improves the reliability of measurements on tether dynamics. For instance, in observations of protein-mediated DNA looping, loop formation is distinguished from adsorption and other nonspecific events.

Three-dimensional desirability spaces for quality-by-design-based HPLC development.

PubMed

Mokhtar, Hatem I; Abdel-Salam, Randa A; Hadad, Ghada M

2015-04-01

In this study, three-dimensional desirability spaces were introduced as a graphical representation method of design space. This was illustrated in the context of application of quality-by-design concepts on development of a stability indicating gradient reversed-phase high-performance liquid chromatography method for the determination of vinpocetine and α-tocopheryl acetate in a capsule dosage form. A mechanistic retention model to optimize gradient time, initial organic solvent concentration and ternary solvent ratio was constructed for each compound from six experimental runs. Then, desirability function of each optimized criterion and subsequently the global desirability function were calculated throughout the knowledge space. The three-dimensional desirability spaces were plotted as zones exceeding a threshold value of desirability index in space defined by the three optimized method parameters. Probabilistic mapping of desirability index aided selection of design space within the potential desirability subspaces. Three-dimensional desirability spaces offered better visualization and potential design spaces for the method as a function of three method parameters with ability to assign priorities to this critical quality as compared with the corresponding resolution spaces. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Aeroacoustic theory for noncompact wing-gust interaction

NASA Technical Reports Server (NTRS)

Martinez, R.; Widnall, S. E.

1981-01-01

Three aeroacoustic models for noncompact wing-gust interaction were developed for subsonic flow. The first is that for a two dimensional (infinite span) wing passing through an oblique gust. The unsteady pressure field was obtained by the Wiener-Hopf technique; the airfoil loading and the associated acoustic field were calculated, respectively, by allowing the field point down on the airfoil surface, or by letting it go to infinity. The second model is a simple spanwise superposition of two dimensional solutions to account for three dimensional acoustic effects of wing rotation (for a helicopter blade, or some other rotating planform) and of finiteness of wing span. A three dimensional theory for a single gust was applied to calculate the acoustic signature in closed form due to blade vortex interaction in helicopters. The third model is that of a quarter infinite plate with side edge through a gust at high subsonic speed. An approximate solution for the three dimensional loading and the associated three dimensional acoustic field in closed form was obtained. The results reflected the acoustic effect of satisfying the correct loading condition at the side edge.

Calculation of three-dimensional compressible laminar and turbulent boundary layers. An implicit finite-difference procedure for solving the three-dimensional compressible laminar, transitional, and turbulent boundary-layer equations

NASA Technical Reports Server (NTRS)

Harris, J. E.

1975-01-01

An implicit finite-difference procedure is presented for solving the compressible three-dimensional boundary-layer equations. The method is second-order accurate, unconditionally stable (conditional stability for reverse cross flow), and efficient from the viewpoint of computer storage and processing time. The Reynolds stress terms are modeled by (1) a single-layer mixing length model and (2) a two-layer eddy viscosity model. These models, although simple in concept, accurately predicted the equilibrium turbulent flow for the conditions considered. Numerical results are compared with experimental wall and profile data for a cone at an angle of attack larger than the cone semiapex angle. These comparisons clearly indicate that the numerical procedure and turbulence models accurately predict the experimental data with as few as 21 nodal points in the plane normal to the wall boundary.

Concentration data and dimensionality in groundwater models: evaluation using inverse modelling

USGS Publications Warehouse

Barlebo, H.C.; Hill, M.C.; Rosbjerg, D.; Jensen, K.H.

1998-01-01

A three-dimensional inverse groundwater flow and transport model that fits hydraulic-head and concentration data simultaneously using nonlinear regression is presented and applied to a layered sand and silt groundwater system beneath the Grindsted Landfill in Denmark. The aquifer is composed of rather homogeneous hydrogeologic layers. Two issues common to groundwater flow and transport modelling are investigated: 1) The accuracy of simulated concentrations in the case of calibration with head data alone; and 2) The advantages and disadvantages of using a two-dimensional cross-sectional model instead of a three-dimensional model to simulate contaminant transport when the source is at the land surface. Results show that using only hydraulic heads in the nonlinear regression produces a simulated plume that is profoundly different from what is obtained in a calibration using both hydraulic-head and concentration data. The present study provides a well-documented example of the differences that can occur. Representing the system as a two-dimensional cross-section obviously omits some of the system dynamics. It was, however, possible to obtain a simulated plume cross-section that matched the actual plume cross-section well. The two-dimensional model execution times were about a seventh of those for the three-dimensional model, but some difficulties were encountered in representing the spatially variable source concentrations and less precise simulated concentrations were calculated by the two-dimensional model compared to the three-dimensional model. Summed up, the present study indicates that three dimensional modelling using both hydraulic heads and concentrations in the calibration should be preferred in the considered type of transport studies.

Efficient Fourier-based algorithms for time-periodic unsteady problems

NASA Astrophysics Data System (ADS)

Gopinath, Arathi Kamath

2007-12-01

This dissertation work proposes two algorithms for the simulation of time-periodic unsteady problems via the solution of Unsteady Reynolds-Averaged Navier-Stokes (URANS) equations. These algorithms use a Fourier representation in time and hence solve for the periodic state directly without resolving transients (which consume most of the resources in a time-accurate scheme). In contrast to conventional Fourier-based techniques which solve the governing equations in frequency space, the new algorithms perform all the calculations in the time domain, and hence require minimal modifications to an existing solver. The complete space-time solution is obtained by iterating in a fifth pseudo-time dimension. Various time-periodic problems such as helicopter rotors, wind turbines, turbomachinery and flapping-wings can be simulated using the Time Spectral method. The algorithm is first validated using pitching airfoil/wing test cases. The method is further extended to turbomachinery problems, and computational results verified by comparison with a time-accurate calculation. The technique can be very memory intensive for large problems, since the solution is computed (and hence stored) simultaneously at all time levels. Often, the blade counts of a turbomachine are rescaled such that a periodic fraction of the annulus can be solved. This approximation enables the solution to be obtained at a fraction of the cost of a full-scale time-accurate solution. For a viscous computation over a three-dimensional single-stage rescaled compressor, an order of magnitude savings is achieved. The second algorithm, the reduced-order Harmonic Balance method is applicable only to turbomachinery flows, and offers even larger computational savings than the Time Spectral method. It simulates the true geometry of the turbomachine using only one blade passage per blade row as the computational domain. In each blade row of the turbomachine, only the dominant frequencies are resolved, namely, combinations of neighbor's blade passing. An appropriate set of frequencies can be chosen by the analyst/designer based on a trade-off between accuracy and computational resources available. A cost comparison with a time-accurate computation for an Euler calculation on a two-dimensional multi-stage compressor obtained an order of magnitude savings, and a RANS calculation on a three-dimensional single-stage compressor achieved two orders of magnitude savings, with comparable accuracy.

Dependence of Interfacial Excess on the Threshold Value of the Isoconcentration Surface

NASA Technical Reports Server (NTRS)

Yoon, Kevin E.; Noebe, Ronald D.; Hellman, Olof C.; Seidman, David N.

2004-01-01

The proximity histogram (or proxigram for short) is used for analyzing data collected by a three-dimensional atom probe microscope. The interfacial excess of Re (2.41 +/- 0.68 atoms/sq nm) is calculated by employing a proxigram in a completely geometrically independent way for gamma/gamma' interfaces in Rene N6, a third-generation single-crystal Ni-based superalloy. A possible dependence of interfacial excess on the variation of the threshold value of an isoconcentration surface is investigated using the data collected for Rene N6 alloy. It is demonstrated that the dependence of the interfacial excess value on the threshold value of the isoconcentration surface is weak.

CAD system of design and engineering provision of die forming of compressor blades for aircraft engines

NASA Astrophysics Data System (ADS)

Khaimovich, I. N.

2017-10-01

The articles provides the calculation algorithms for blank design and die forming fitting to produce the compressor blades for aircraft engines. The design system proposed in the article allows generating drafts of trimming and reducing dies automatically, leading to significant reduction of work preparation time. The detailed analysis of the blade structural elements features was carried out, the taken limitations and technological solutions allowed forming generalized algorithms of forming parting stamp face over the entire circuit of the engraving for different configurations of die forgings. The author worked out the algorithms and programs to calculate three dimensional point locations describing the configuration of die cavity. As a result the author obtained the generic mathematical model of final die block in the form of three-dimensional array of base points. This model is the base for creation of engineering documentation of technological equipment and means of its control.

Three-dimensional visual guidance improves the accuracy of calculating right ventricular volume with two-dimensional echocardiography

NASA Technical Reports Server (NTRS)

Dorosz, Jennifer L.; Bolson, Edward L.; Waiss, Mary S.; Sheehan, Florence H.

2003-01-01

Three-dimensional guidance programs have been shown to increase the reproducibility of 2-dimensional (2D) left ventricular volume calculations, but these systems have not been tested in 2D measurements of the right ventricle. Using magnetic fields to identify the probe location, we developed a new 3-dimensional guidance system that displays the line of intersection, the plane of intersection, and the numeric angle of intersection between the current image plane and previously saved scout views. When used by both an experienced and an inexperienced sonographer, this guidance system increases the accuracy of the 2D right ventricular volume measurements using a monoplane pyramidal model. Furthermore, a reconstruction of the right ventricle, with a computed volume similar to the calculated 2D volume, can be displayed quickly by tracing a few anatomic structures on 2D scans.

A new technique for calculating individual dermal fibroblast contractile forces generated within collagen-GAG scaffolds.

PubMed

Harley, Brendan A; Freyman, Toby M; Wong, Matthew Q; Gibson, Lorna J

2007-10-15

Cell-mediated contraction plays a critical role in many physiological and pathological processes, notably organized contraction during wound healing. Implantation of an appropriately formulated (i.e., mean pore size, chemical composition, degradation rate) three-dimensional scaffold into an in vivo wound site effectively blocks the majority of organized wound contraction and results in induced regeneration rather than scar formation. Improved understanding of cell contraction within three-dimensional constructs therefore represents an important area of study in tissue engineering. Studies of cell contraction within three-dimensional constructs typically calculate an average contractile force from the gross deformation of a macroscopic substrate by a large cell population. In this study, cellular solids theory has been applied to conventional column buckling relationships to quantify the magnitude of individual cell contraction events within a three-dimensional, collagen-glycosaminoglycan scaffold. This new technique can be used for studying cell mechanics with a wide variety of porous scaffolds that resemble low-density, open-cell foams. It extends previous methods for analyzing cell buckling of two-dimensional substrates to three-dimensional constructs. From data available in the literature, the mean contractile force (Fc) generated by individual dermal fibroblasts within the collagen-glycosaminoglycan scaffold was calculated to range between 11 and 41 nN (Fc=26+/-13 nN, mean+/-SD), with an upper bound of cell contractility estimated at 450 nN.

Three-dimensional effects for radio frequency antenna modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carter, M.D.; Batchelor, D.B.; Stallings, D.C.

1994-10-15

Electromagnetic field calculations for radio frequency (rf) antennas in two dimensions (2-D) neglect finite antenna length effects as well as the feeders leading to the main current strap. The 2-D calculations predict that the return currents in the sidewalls of the antenna structure depend strongly on the plasma parameters, but this prediction is suspect because of experimental evidence. To study the validity of the 2-D approximation, the Multiple Antenna Implementation System (MAntIS) has been used to perform three-dimensional (3-D) modeling of the power spectrum, plasma loading, and inductance for a relevant loop antenna design. Effects on antenna performance caused bymore » feeders to the main current strap and conducting sidewalls are considered. The modeling shows that the feeders affect the launched power spectrum in an indirect way by forcing the driven rf current to return in the antenna structure rather than the plasma, as in the 2-D model. It has also been found that poloidal dependencies in the plasma impedance matrix can reduce the loading predicted from that predicted in the 2-D model. For some plasma parameters, the combined 3-D effects can lead to a reduction in the predicted loading by as much as a factor of 2 from that given by the 2-D model, even with end-effect corrections for the 2-D model.« less

Three-dimensional effects for radio frequency antenna modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carter, M.D.; Batchelor, D.B.; Stallings, D.C.

1993-12-31

Electromagnetic field calculations for radio frequency (rf) antennas in two dimensions (2-D) neglect finite antenna length effects as well as the feeders leading to the main current strap. The 2-D calculations predict that the return currents in the sidewalls of the antenna structure depend strongly on the plasma parameters, but this prediction is suspect because of experimental evidence. To study the validity of the 2-D approximation, the Multiple Antenna Implementation System (MAntIS) has been used to perform three-dimensional (3-D) modeling of the power spectrum, plasma loading, and inductance for a relevant loop antenna design. Effects on antenna performance caused bymore » feeders to the main current strap and conducting sidewalls are considered. The modeling shows that the feeders affect the launched power spectrum in an indirect way by forcing the driven rf current to return in the antenna structure rather than the plasma, as in the 2-D model. It has also been found that poloidal dependencies in the plasma impedance matrix can reduce the loading predicted from that predicted in the 2-D model. For some plasma parameters, the combined 3-D effects can lead to a reduction in the predicted loading by as much as a factor of 2 from that given by the 2-D model, even with end-effect corrections for the 2-D model.« less

Time dependent deformation and stress in the lithosphere. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Yang, M.

1980-01-01

Efficient computer programs incorporating frontal solution and time stepping procedure were developed for the modelling of geodynamic problems. This scheme allows for investigating the quasi static phenomena including the effects of the rheological structure of a tectonically active region. From three dimensional models of strike slip earthquakes, it was found that lateral variation of viscosity affects the characteristics of surface deformations. The vertical deformation is especially informative about the viscosity structure in a strike slip fault zone. A three dimensional viscoelastic model of a thrust earthquake indicated that the transient disturbance on plate velocity due to a great plate boundary earthquake is significant at intermediate distances, but becomes barely measurable 1000 km away from the source.

The 4-dimensional Langevin approach to low energy nuclear fission

NASA Astrophysics Data System (ADS)

Ivanyuk, F. A.; Ishizuka, C.; Usang, M. D.; Chiba, S.

2018-03-01

We applied the four-dimensional Langevin approach to the description of fission of 235U by neutrons and calculated the dependence of the excitation energy of fission fragments on their mass number. For this we have fitted the compact just-before-scission configuration obtained by the Langevin calculations by the two separated fragments and calculated the intrinsic excitation and the deformation energy of each fragment accurately taking into account the shell and pairing effects and their dependence on the temperature and mass of the fragments. For the sharing of energy between the fission fragments we have used the simplest and most reliable assumption - the temperature of each fragment immediately after the neck rupture is the same as the temperature of mother nucleus just before scission. The calculated excitation energy of fission fragments clearly demonstrates the saw-tooth structure in the dependence on fragment mass number.

Superluminal transformations in complex Minkowski spaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramon, C.; Rauscher, E.A.

1980-08-01

We calculate the mixing of real and imaginary components of space and time under the influence of superluminal boots in the x direction. A unique mixing is determined for this superluminal Lorentz transformation when we consider the symmetry properties afforded by the inclusion of three temporal directions. Superluminal transformations in complex six-dimensional space exhibit unique tachyonic connections which have both remote and local space--time event connections.

Calculation of laminar heating rates on three-dimensional configurations using the axisymmetric analogue

NASA Technical Reports Server (NTRS)

Hamilton, H. H., II

1980-01-01

A theoretical method was developed for computing approximate laminar heating rates on three dimensional configurations at angle of attack. The method is based on the axisymmetric analogue which is used to reduce the three dimensional boundary layer equations along surface streamlines to an equivalent axisymmetric form by using the metric coefficient which describes streamline divergence (or convergence). The method was coupled with a three dimensional inviscid flow field program for computing surface streamline paths, metric coefficients, and boundary layer edge conditions.

Pseudorapidity correlations in heavy ion collisions from viscous fluid dynamics

DOE PAGES

Monnai, A.; Schenke, B.

2015-11-26

We demonstrate by explicit calculations in 3+1 dimensional viscous relativistic fluid dynamics how two-particle pseudorapidity correlation functions in heavy ion collisions at the LHC and RHIC depend on the number of particle producing sources and the transport properties of the produced medium. In particular, we present results for the Legendre coefficients of the two-particle pseudorapidity correlation function, a n,m, in Pb+Pb collisions at 2760 GeV and Au+Au collisions at 200 GeV from viscous hydrodynamics with three dimensionally fluctuating initial conditions. Our results suggest that the a n,m provide important constraints on initial state fluctuations and the transport properties of themore » quark gluon plasma.« less

Numerical Simulation of Induction Channel Furnace to Investigate Efficiency for low Frequencies

NASA Astrophysics Data System (ADS)

Hang, N. Tran Thi; Lüdtke, U.

2018-05-01

The foundry industry worldwide commonly uses induction channel furnaces to heat and melt alloys. The operating frequency is one of the main issues when constructing an efficient channel furnace. It is possible to choose operating frequencies lower than 50 Hz using a modern IGBT power converter. This work shows the simulation results using ANSYS with the goal of finding the best electrical frequency necessary to operate the induction furnace. First, a two-dimensional model is used to calculate the efficiency depending on frequency. Then, the channel model is extended to a more realistic three-dimensional model. Finally, the influence of frequency, inductor profile, and several components of the induction channel furnace are discussed.

First principles calculation of two dimensional antimony and antimony arsenide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pillai, Sharad Babu, E-mail: sbpillai001@gmail.com; Narayan, Som; Jha, Prafulla K.

2016-05-23

This work focuses on the strain dependence of the electronic properties of two dimensional antimony (Sb) material and its alloy with As (SbAs) using density functional theory based first principles calculations. Both systems show indirect bandgap semiconducting character which can be transformed into a direct bandgap material with the application of relatively small strain.

Airbreathing Propulsion System Analysis Using Multithreaded Parallel Processing

NASA Technical Reports Server (NTRS)

Schunk, Richard Gregory; Chung, T. J.; Rodriguez, Pete (Technical Monitor)

2000-01-01

In this paper, parallel processing is used to analyze the mixing, and combustion behavior of hypersonic flow. Preliminary work for a sonic transverse hydrogen jet injected from a slot into a Mach 4 airstream in a two-dimensional duct combustor has been completed [Moon and Chung, 1996]. Our aim is to extend this work to three-dimensional domain using multithreaded domain decomposition parallel processing based on the flowfield-dependent variation theory. Numerical simulations of chemically reacting flows are difficult because of the strong interactions between the turbulent hydrodynamic and chemical processes. The algorithm must provide an accurate representation of the flowfield, since unphysical flowfield calculations will lead to the faulty loss or creation of species mass fraction, or even premature ignition, which in turn alters the flowfield information. Another difficulty arises from the disparity in time scales between the flowfield and chemical reactions, which may require the use of finite rate chemistry. The situations are more complex when there is a disparity in length scales involved in turbulence. In order to cope with these complicated physical phenomena, it is our plan to utilize the flowfield-dependent variation theory mentioned above, facilitated by large eddy simulation. Undoubtedly, the proposed computation requires the most sophisticated computational strategies. The multithreaded domain decomposition parallel processing will be necessary in order to reduce both computational time and storage. Without special treatments involved in computer engineering, our attempt to analyze the airbreathing combustion appears to be difficult, if not impossible.

Low-field one-dimensional and direction-dependent relaxation imaging of bovine articular cartilage

NASA Astrophysics Data System (ADS)

Rössler, Erik; Mattea, Carlos; Mollova, Ayret; Stapf, Siegfried

2011-12-01

The structure of articular cartilage is separated into three layers of differently oriented collagen fibers, which is accompanied by a gradient of increasing glycosaminoglycan (GAG) and decreasing water concentration from the top layer towards the bone interface. The combined effect of these structural variations results in a change of the longitudinal and transverse relaxation times as a function of the distance from the cartilage surface. In this paper, this dependence is investigated at a magnetic field strength of 0.27 T with a one-dimensional depth resolution of 50 μm on bovine hip and stifle joint articular cartilage. By employing this method, advantage is taken of the increasing contrast of the longitudinal relaxation rate found at lower magnetic field strengths. Furthermore, evidence for an orientational dependence of relaxation times with respect to an axis normal to the surface plane is given, an observation that has recently been reported using high-field MRI and that was explained by preferential orientations of collagen bundles in each of the three cartilage zones. In order to quantify the extent of a further contrast mechanism and to estimate spatially dependent glycosaminoglycan concentrations, the data are supplemented by proton relaxation times that were acquired in bovine articular cartilage that was soaked in a 0.8 mM aqueous Gd ++ solution.

Bar coded retroreflective target

DOEpatents

Vann, Charles S.

2000-01-01

This small, inexpensive, non-contact laser sensor can detect the location of a retroreflective target in a relatively large volume and up to six degrees of position. The tracker's laser beam is formed into a plane of light which is swept across the space of interest. When the beam illuminates the retroreflector, some of the light returns to the tracker. The intensity, angle, and time of the return beam is measured to calculate the three dimensional location of the target. With three retroreflectors on the target, the locations of three points on the target are measured, enabling the calculation of all six degrees of target position. Until now, devices for three-dimensional tracking of objects in a large volume have been heavy, large, and very expensive. Because of the simplicity and unique characteristics of this tracker, it is capable of three-dimensional tracking of one to several objects in a large volume, yet it is compact, light-weight, and relatively inexpensive. Alternatively, a tracker produces a diverging laser beam which is directed towards a fixed position, and senses when a retroreflective target enters the fixed field of view. An optically bar coded target can be read by the tracker to provide information about the target. The target can be formed of a ball lens with a bar code on one end. As the target moves through the field, the ball lens causes the laser beam to scan across the bar code.

Miniature Laser Tracker

DOEpatents

Vann, Charles S.

2003-09-09

This small, inexpensive, non-contact laser sensor can detect the location of a retroreflective target in a relatively large volume and up to six degrees of position. The tracker's laser beam is formed into a plane of light which is swept across the space of interest. When the beam illuminates the retroreflector, some of the light returns to the tracker. The intensity, angle, and time of the return beam is measured to calculate the three dimensional location of the target. With three retroreflectors on the target, the locations of three points on the target are measured, enabling the calculation of all six degrees of target position. Until now, devices for three-dimensional tracking of objects in a large volume have been heavy, large, and very expensive. Because of the simplicity and unique characteristics of this tracker, it is capable of three-dimensional tracking of one to several objects in a large volume, yet it is compact, light-weight, and relatively inexpensive. Alternatively, a tracker produces a diverging laser beam which is directed towards a fixed position, and senses when a retroreflective target enters the fixed field of view. An optically bar coded target can be read by the tracker to provide information about the target. The target can be formed of a ball lens with a bar code on one end. As the target moves through the field, the ball lens causes the laser beam to scan across the bar code.

Dynamical initial-state model for relativistic heavy-ion collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, Chun; Schenke, Bjorn

We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a uctuating time depending on sampled final rapidities. Energy is deposited in space-time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directlymore » from the initial state model, including net-baryon rapidity distributions, 2-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. Here, we also present the implementation of the model with 3+1 dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial state model at proper times greater than the initial time for the hydrodynamic simulation.« less

Dynamical initial-state model for relativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Shen, Chun; Schenke, Björn

2018-02-01

We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy-ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a fluctuating time depending on sampled final rapidities. Energy is deposited in space time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directly from the initial-state model, including net-baryon rapidity distributions, two-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. We also present the implementation of the model with 3+1-dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial-state model at proper times greater than the initial time for the hydrodynamic simulation.

Dynamical initial-state model for relativistic heavy-ion collisions

DOE PAGES

Shen, Chun; Schenke, Bjorn

2018-02-15

We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a uctuating time depending on sampled final rapidities. Energy is deposited in space-time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directlymore » from the initial state model, including net-baryon rapidity distributions, 2-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. Here, we also present the implementation of the model with 3+1 dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial state model at proper times greater than the initial time for the hydrodynamic simulation.« less

Real-time decay of a highly excited charge carrier in the one-dimensional Holstein model

NASA Astrophysics Data System (ADS)

Dorfner, F.; Vidmar, L.; Brockt, C.; Jeckelmann, E.; Heidrich-Meisner, F.

2015-03-01

We study the real-time dynamics of a highly excited charge carrier coupled to quantum phonons via a Holstein-type electron-phonon coupling. This is a prototypical example for the nonequilibrium dynamics in an interacting many-body system where excess energy is transferred from electronic to phononic degrees of freedom. We use diagonalization in a limited functional space (LFS) to study the nonequilibrium dynamics on a finite one-dimensional chain. This method agrees with exact diagonalization and the time-evolving block-decimation method, in both the relaxation regime and the long-time stationary state, and among these three methods it is the most efficient and versatile one for this problem. We perform a comprehensive analysis of the time evolution by calculating the electron, phonon and electron-phonon coupling energies, and the electronic momentum distribution function. The numerical results are compared to analytical solutions for short times, for a small hopping amplitude and for a weak electron-phonon coupling. In the latter case, the relaxation dynamics obtained from the Boltzmann equation agrees very well with the LFS data. We also study the time dependence of the eigenstates of the single-site reduced density matrix, which defines the so-called optimal phonon modes. We discuss their structure in nonequilibrium and the distribution of their weights. Our analysis shows that the structure of optimal phonon modes contains very useful information for the interpretation of the numerical data.

Secondary scattering on the intensity dependence of the capture velocity in a magneto-optical trap

NASA Astrophysics Data System (ADS)

Loos, M. R.; Massardo, S. B.; de S. Zanon, R. A.; de Oliveira, A. L.

2005-08-01

In this work, we consider a three-dimensional model to simulate the capture velocity behavior in a sample of cold-trapped sodium atoms as a function of the trapping laser intensity. We expand on previous work [V. S. Bagnato, L. G. Marcassa, S. G. Miranda, S. R. Muniz, and A. L. de Oliveira, Phys. Rev. A 62, 013404 (2000)] by calculating the capture velocity over a broad range of light intensities considering the secondary scattering in a magneto-optical trap. Our calculations are in a good agreement with recent measured values [S. R. Muniz , Phys. Rev. A 65, 015402 (2001)].

Complementarity and Young's interference fringes from two atoms

NASA Astrophysics Data System (ADS)

Itano, W. M.; Bergquist, J. C.; Bollinger, J. J.; Wineland, D. J.; Eichmann, U.; Raizen, M. G.

1998-06-01

The interference pattern of the resonance fluorescence from a J=1/2 to J=1/2 transition of two identical atoms confined in a three-dimensional harmonic potential is calculated. The thermal motion of the atoms is included. Agreement is obtained with experiments [U. Eichmann et al., Phys. Rev. Lett. 70, 2359 (1993)]. Contrary to some theoretical predictions, but in agreement with the present calculations, a fringe visibility greater than 50% can be observed with polarization-selective detection. The dependence of the fringe visibility on polarization has a simple interpretation, based on whether or not it is possible in principle to determine which atom emitted the photon.

Apparent critical thickness versus temperature for InAs quantum dot growth on GaAs(001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patella, F.; Arciprete, F.; Fanfoni, M.

2006-04-17

We studied the temperature dependence of the two-dimensional to three-dimensional growth transition in InAs/GaAs(001) heteroepitaxy by means of reflection high energy electron diffraction and atomic force microscopy. The observed shift of the transition to higher InAs deposition times, at temperatures above 500 deg. C, is not a change of critical thickness for islanding, which instead, is constant in the 450-560 deg. C range. Consequently, In-Ga intermixing and surface and interface strain have a negligible dependence on temperature in this range.

Charged BTZ black holes in the context of massive gravity's rainbow

NASA Astrophysics Data System (ADS)

Hendi, S. H.; Panahiyan, S.; Upadhyay, S.; Eslam Panah, B.

2017-04-01

Banados, Teitelboim, and Zanelli (BTZ) black holes are excellent laboratories for studying black hole thermodynamics, which is a bridge between classical general relativity and the quantum nature of gravitation. In addition, three-dimensional gravity could have equipped us for exploring some of the ideas behind the two-dimensional conformal field theory based on the AdS3/CFT2 . Considering the significant interest in these regards, we examine charged BTZ black holes. We consider the system contains massive gravity with energy dependent spacetime to enrich the results. In order to make high curvature (energy) BTZ black holes more realistic, we modify the theory by energy dependent constants. We investigate thermodynamic properties of the solutions by calculating heat capacity and free energy. We also analyze thermal stability and study the possibility of the Hawking-Page phase transition. At last, we study the geometrical thermodynamics of these black holes and compare the results of various approaches.

Acoustic band gaps of the woodpile sonic crystal with the simple cubic lattice

NASA Astrophysics Data System (ADS)

Wu, Liang-Yu; Chen, Lien-Wen

2011-02-01

This study theoretically and experimentally investigates the acoustic band gap of a three-dimensional woodpile sonic crystal. Such crystals are built by blocks or rods that are orthogonally stacked together. The adjacent layers are perpendicular to each other. The woodpile structure is embedded in air background. Their band structures and transmission spectra are calculated using the finite element method with a periodic boundary condition. The dependence of the band gap on the width of the stacked rods is discussed. The deaf bands in the band structure are observed by comparing with the calculated transmission spectra. The experimental transmission spectra for the Γ-X and Γ-X' directions are also presented. The calculated results are compared with the experimental results.

Multiscale statistics of trajectories with applications to fluid particles in turbulence and football players

NASA Astrophysics Data System (ADS)

Schneider, Kai; Kadoch, Benjamin; Bos, Wouter

2017-11-01

The angle between two subsequent particle displacement increments is evaluated as a function of the time lag. The directional change of particles can thus be quantified at different scales and multiscale statistics can be performed. Flow dependent and geometry dependent features can be distinguished. The mean angle satisfies scaling behaviors for short time lags based on the smoothness of the trajectories. For intermediate time lags a power law behavior can be observed for some turbulent flows, which can be related to Kolmogorov scaling. The long time behavior depends on the confinement geometry of the flow. We show that the shape of the probability distribution function of the directional change can be well described by a Fischer distribution. Results for two-dimensional (direct and inverse cascade) and three-dimensional turbulence with and without confinement, illustrate the properties of the proposed multiscale statistics. The presented Monte-Carlo simulations allow disentangling geometry dependent and flow independent features. Finally, we also analyze trajectories of football players, which are, in general, not randomly spaced on a field.

CT liver volumetry using three-dimensional image data in living donor liver transplantation: Effects of slice thickness on volume calculation

PubMed Central

Hori, Masatoshi; Suzuki, Kenji; Epstein, Mark L.; Baron, Richard L.

2011-01-01

The purpose was to evaluate a relationship between slice thickness and calculated volume on CT liver volumetry by comparing the results for images with various slice thicknesses including three-dimensional images. Twenty adult potential liver donors (12 men, 8 women; mean age, 39 years; range, 24–64) underwent CT with a 64-section multi-detector row CT scanner after intra-venous injection of contrast material. Four image sets with slice thicknesses of 0.625 mm, 2.5 mm, 5 mm, and 10 mm were used. First, a program developed in our laboratory for automated liver extraction was applied to CT images, and the liver boundary was obtained automatically. Then, an abdominal radiologist reviewed all images on which automatically extracted boundaries were superimposed, and edited the boundary on each slice to enhance the accuracy. Liver volumes were determined by counting of the voxels within the liver boundary. Mean whole liver volumes estimated with CT were 1322.5 cm3 on 0.625-mm, 1313.3 cm3 on 2.5-mm, 1310.3 cm3 on 5-mm, and 1268.2 cm3 on 10-mm images. Volumes calculated for three-dimensional (0.625-mm-thick) images were significantly larger than those for thicker images (P<.0001). Partial liver volumes of right lobe, left lobe, and lateral segment were also evaluated in a similar manner. Estimated maximum differences in calculated volumes of lateral segment was −10.9 cm3 (−4.6%) between 0.625-mm and 5-mm images. In conclusion, liver volumes calculated on 2.5-mm or thicker images were significantly smaller than volumes calculated on three-dimensional images. If a maximum error of 5% in the calculated graft volume is within the range of having an insignificant clinical impact, 5-mm thick images are acceptable for CT volumetry. If not, three-dimensional images could be essential. PMID:21850689

AN IMMERSED BOUNDARY METHOD FOR COMPLEX INCOMPRESSIBLE FLOWS

EPA Science Inventory

An immersed boundary method for time-dependant, three- dimensional, incompressible flows is presented in this paper. The incompressible Navier-Stokes equations are discretized using a low-diffusion flux splitting method for the inviscid fluxes and a second order central differenc...

Large Deformation Dynamic Three-Dimensional Coupled Finite Element Analysis of Soft Biological Tissues Treated as Biphasic Porous Media

DTIC Science & Technology

2014-11-01

response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and...over time , when a bipha- sic soft tissue is subjected to dynamic loading. Also, after the initial transient, the variation of solid skeleton stresses...will be naturally calculated as the fluid phase pressure dissipates over time . This is important for developing physiologically- relevant degradation

Pair production in low-energy collisions of uranium nuclei beyond the monopole approximation

NASA Astrophysics Data System (ADS)

Maltsev, I. A.; Shabaev, V. M.; Tupitsyn, I. I.; Kozhedub, Y. S.; Plunien, G.; Stöhlker, Th.

2017-10-01

A method for calculation of electron-positron pair production in low-energy heavy-ion collisions beyond the monopole approximation is presented. The method is based on the numerical solving of the time-dependent Dirac equation with the full two-center potential. The one-electron wave functions are expanded in the finite basis set constructed on the two-dimensional spatial grid. Employing the developed approach the probabilities of bound-free pair production are calculated for collisions of bare uranium nuclei at the energy near the Coulomb barrier. The obtained results are compared with the corresponding values calculated in the monopole approximation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

McHugh, P.R.; Ramshaw, J.D.

MAGMA is a FORTRAN computer code designed to viscous flow in in situ vitrification melt pools. It models three-dimensional, incompressible, viscous flow and heat transfer. The momentum equation is coupled to the temperature field through the buoyancy force terms arising from the Boussinesq approximation. All fluid properties, except density, are assumed variable. Density is assumed constant except in the buoyancy force terms in the momentum equation. A simple melting model based on the enthalpy method allows the study of the melt front progression and latent heat effects. An indirect addressing scheme used in the numerical solution of the momentum equationmore » voids unnecessary calculations in cells devoid of liquid. Two-dimensional calculations can be performed using either rectangular or cylindrical coordinates, while three-dimensional calculations use rectangular coordinates. All derivatives are approximated by finite differences. The incompressible Navier-Stokes equations are solved using a new fully implicit iterative technique, while the energy equation is differenced explicitly in time. Spatial derivatives are written in conservative form using a uniform, rectangular, staggered mesh based on the marker and cell placement of variables. Convective terms are differenced using a weighted average of centered and donor cell differencing to ensure numerical stability. Complete descriptions of MAGMA governing equations, numerics, code structure, and code verification are provided. 14 refs.« less

Two-dimensional simulation of clastic and carbonate sedimentation, consolidation, subsidence, fluid flow, heat flow and solute transport during the formation of sedimentary basins

NASA Astrophysics Data System (ADS)

Bitzer, Klaus

1999-05-01

Geological processes that create sedimentary basins or act during their formation can be simulated using the public domain computer code `BASIN'. For a given set of geological initial and boundary conditions the sedimentary basin evolution is calculated in a forward modeling approach. The basin is represented in a two-dimensional vertical cross section with individual layers. The stratigraphic, tectonic, hydrodynamic and thermal evolution is calculated beginning at an initial state, and subsequent changes of basin geometry are calculated from sedimentation rates, compaction and pore fluid mobilization, isostatic compensation, fault movement and subsidence. The sedimentologic, hydraulic and thermal parameters are stored at discrete time steps allowing the temporal evolution of the basin to be analyzed. A maximum flexibility in terms of geological conditions is achieved by using individual program modules representing geological processes which can be switched on and off depending on the data available for a specific simulation experiment. The code incorporates a module for clastic and carbonate sedimentation, taking into account the impact of clastic sediment supply on carbonate production. A maximum of four different sediment types, which may be mixed during sedimentation, can be defined. Compaction and fluid flow are coupled through the consolidation equation and the nonlinear form of the equation of state for porosity, allowing nonequilibrium compaction and overpressuring to be calculated. Instead of empirical porosity-effective stress equations, a physically consistent consolidation model is applied which incorporates a porosity dependent sediment compressibility. Transient solute transport and heat flow are calculated as well, applying calculated fluid flow rates from the hydraulic model. As a measure for hydrocarbon generation, the Time-Temperature Index (TTI) is calculated. Three postprocessing programs are available to provide graphic output in PostScript format: BASINVIEW is used to display the distribution of parameters in the simulated cross-section of the basin for defined time steps. It is used in conjunction with the Ghostview software, which is freeware and available on most computer systems. AIBASIN provides PostScript output for Adobe Illustrator®, taking advantage of the layer-concept which facilitates further graphic manipulation. BASELINE is used to display parameter distribution at a defined well or to visualize the temporal evolution of individual elements located in the simulated sedimentary basin. The modular structure of the BASIN code allows additional processes to be included. A module to simulate reactive transport and diagenetic reactions is planned for future versions. The program has been applied to existing sedimentary basins, and it has also shown a high potential for classroom instruction, giving the possibility to create hypothetical basins and to interpret basin evolution in terms of sequence stratigraphy or petroleum potential.

3D glasma initial state for relativistic heavy ion collisions

DOE PAGES

Schenke, Björn; Schlichting, Sören

2016-10-13

We extend the impact-parameter-dependent Glasma model to three dimensions using explicit small-x evolution of the two incoming nuclear gluon distributions. We compute rapidity distributions of produced gluons and the early-time energy momentum tensor as a function of space-time rapidity and transverse coordinates. Finally, we study rapidity correlations and fluctuations of the initial geometry and multiplicity distributions and make comparisons to existing models for the three-dimensional initial state.

Directly Reconstructing Principal Components of Heterogeneous Particles from Cryo-EM Images

PubMed Central

Tagare, Hemant D.; Kucukelbir, Alp; Sigworth, Fred J.; Wang, Hongwei; Rao, Murali

2015-01-01

Structural heterogeneity of particles can be investigated by their three-dimensional principal components. This paper addresses the question of whether, and with what algorithm, the three-dimensional principal components can be directly recovered from cryo-EM images. The first part of the paper extends the Fourier slice theorem to covariance functions showing that the three-dimensional covariance, and hence the principal components, of a heterogeneous particle can indeed be recovered from two-dimensional cryo-EM images. The second part of the paper proposes a practical algorithm for reconstructing the principal components directly from cryo-EM images without the intermediate step of calculating covariances. This algorithm is based on maximizing the (posterior) likelihood using the Expectation-Maximization algorithm. The last part of the paper applies this algorithm to simulated data and to two real cryo-EM data sets: a data set of the 70S ribosome with and without Elongation Factor-G (EF-G), and a data set of the inluenza virus RNA dependent RNA Polymerase (RdRP). The first principal component of the 70S ribosome data set reveals the expected conformational changes of the ribosome as the EF-G binds and unbinds. The first principal component of the RdRP data set reveals a conformational change in the two dimers of the RdRP. PMID:26049077

A high-order strong stability preserving Runge-Kutta method for three-dimensional full waveform modeling and inversion of anelastic models

NASA Astrophysics Data System (ADS)

Wang, N.; Shen, Y.; Yang, D.; Bao, X.; Li, J.; Zhang, W.

2017-12-01

Accurate and efficient forward modeling methods are important for high resolution full waveform inversion. Compared with the elastic case, solving anelastic wave equation requires more computational time, because of the need to compute additional material-independent anelastic functions. A numerical scheme with a large Courant-Friedrichs-Lewy (CFL) condition number enables us to use a large time step to simulate wave propagation, which improves computational efficiency. In this work, we apply the fourth-order strong stability preserving Runge-Kutta method with an optimal CFL coeffiecient to solve the anelastic wave equation. We use a fourth order DRP/opt MacCormack scheme for the spatial discretization, and we approximate the rheological behaviors of the Earth by using the generalized Maxwell body model. With a larger CFL condition number, we find that the computational efficient is significantly improved compared with the traditional fourth-order Runge-Kutta method. Then, we apply the scattering-integral method for calculating travel time and amplitude sensitivity kernels with respect to velocity and attenuation structures. For each source, we carry out one forward simulation and save the time-dependent strain tensor. For each station, we carry out three `backward' simulations for the three components and save the corresponding strain tensors. The sensitivity kernels at each point in the medium are the convolution of the two sets of the strain tensors. Finally, we show several synthetic tests to verify the effectiveness of the strong stability preserving Runge-Kutta method in generating accurate synthetics in full waveform modeling, and in generating accurate strain tensors for calculating sensitivity kernels at regional and global scales.

An efficient user-oriented method for calculating compressible flow in an about three-dimensional inlets. [panel method

NASA Technical Reports Server (NTRS)

Hess, J. L.; Mack, D. P.; Stockman, N. O.

1979-01-01

A panel method is used to calculate incompressible flow about arbitrary three-dimensional inlets with or without centerbodies for four fundamental flow conditions: unit onset flows parallel to each of the coordinate axes plus static operation. The computing time is scarcely longer than for a single solution. A linear superposition of these solutions quite rigorously gives incompressible flow about the inlet for any angle of attack, angle of yaw, and mass flow rate. Compressibility is accounted for by applying a well-proven correction to the incompressible flow. Since the computing times for the combination and the compressibility correction are small, flows at a large number of inlet operating conditions are obtained rather cheaply. Geometric input is aided by an automatic generating program. A number of graphical output features are provided to aid the user, including surface streamline tracing and automatic generation of curves of curves of constant pressure, Mach number, and flow inclination at selected inlet cross sections. The inlet method and use of the program are described. Illustrative results are presented.

Eliminating Bias In Acousto-Optical Spectrum Analysis

NASA Technical Reports Server (NTRS)

Ansari, Homayoon; Lesh, James R.

1992-01-01

Scheme for digital processing of video signals in acousto-optical spectrum analyzer provides real-time correction for signal-dependent spectral bias. Spectrum analyzer described in "Two-Dimensional Acousto-Optical Spectrum Analyzer" (NPO-18092), related apparatus described in "Three-Dimensional Acousto-Optical Spectrum Analyzer" (NPO-18122). Essence of correction is to average over digitized outputs of pixels in each CCD row and to subtract this from the digitized output of each pixel in row. Signal processed electro-optically with reference-function signals to form two-dimensional spectral image in CCD camera.

A silicon microwire under a three-dimensional anisotropic tensile stress

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ji, Xiaoyu; Poilvert, Nicolas; Liu, Wenjun

Three-dimensional tensile stress, or triaxial tensile stress, is difficult to achieve in a material. We present the investigation of an unusual three-dimensional anisotropic tensile stress field and its influence on the electronic properties of a single crystal silicon microwire. The microwire was created by laser heating an amorphous silicon wire deposited in a 1.7 μm silica glass capillary by high pressure chemical vapor deposition. Tensile strain arises due to the thermal expansion mismatch between silicon and silica. Synchrotron X-ray micro-beam Laue diffraction (μ-Laue) microscopy reveals that the three principal strain components are +0.47% (corresponding to a tensile stress of +0.7more » GPa) along the fiber axis and nearly isotropic +0.02% (corresponding to a tensile stress of +0.3 GPa) in the cross-sectional plane. This effect was accompanied with a reduction of 30 meV in the band gap energy of silicon, as predicted by the density-functional theory calculations and in close agreement with energy-dependent photoconductivity measurements. While silicon has been explored under many stress states, this study explores a stress state where all three principal stress components are tensile. Given the technological importance of silicon, the influence of such an unusual stress state on its electronic properties is of fundamental interest.« less

Kinematics of swimming of the manta ray: three-dimensional analysis of open-water maneuverability.

PubMed

Fish, Frank E; Kolpas, Allison; Crossett, Andrew; Dudas, Michael A; Moored, Keith W; Bart-Smith, Hilary

2018-03-22

For aquatic animals, turning maneuvers represent a locomotor activity that may not be confined to a single coordinate plane, making analysis difficult, particularly in the field. To measure turning performance in a three-dimensional space for the manta ray ( Mobula birostris ), a large open-water swimmer, scaled stereo video recordings were collected. Movements of the cephalic lobes, eye and tail base were tracked to obtain three-dimensional coordinates. A mathematical analysis was performed on the coordinate data to calculate the turning rate and curvature (1/turning radius) as a function of time by numerically estimating the derivative of manta trajectories through three-dimensional space. Principal component analysis was used to project the three-dimensional trajectory onto the two-dimensional turn. Smoothing splines were applied to these turns. These are flexible models that minimize a cost function with a parameter controlling the balance between data fidelity and regularity of the derivative. Data for 30 sequences of rays performing slow, steady turns showed the highest 20% of values for the turning rate and smallest 20% of turn radii were 42.65±16.66 deg s -1 and 2.05±1.26 m, respectively. Such turning maneuvers fall within the range of performance exhibited by swimmers with rigid bodies. © 2018. Published by The Company of Biologists Ltd.

Estimating habitat volume of living resources using three-dimensional circulation and biogeochemical models

NASA Astrophysics Data System (ADS)

Smith, Katharine A.; Schlag, Zachary; North, Elizabeth W.

2018-07-01

Coupled three-dimensional circulation and biogeochemical models predict changes in water properties that can be used to define fish habitat, including physiologically important parameters such as temperature, salinity, and dissolved oxygen. However, methods for calculating the volume of habitat defined by the intersection of multiple water properties are not well established for coupled three-dimensional models. The objectives of this research were to examine multiple methods for calculating habitat volume from three-dimensional model predictions, select the most robust approach, and provide an example application of the technique. Three methods were assessed: the "Step," "Ruled Surface", and "Pentahedron" methods, the latter of which was developed as part of this research. Results indicate that the analytical Pentahedron method is exact, computationally efficient, and preserves continuity in water properties between adjacent grid cells. As an example application, the Pentahedron method was implemented within the Habitat Volume Model (HabVol) using output from a circulation model with an Arakawa C-grid and physiological tolerances of juvenile striped bass (Morone saxatilis). This application demonstrates that the analytical Pentahedron method can be successfully applied to calculate habitat volume using output from coupled three-dimensional circulation and biogeochemical models, and it indicates that the Pentahedron method has wide application to aquatic and marine systems for which these models exist and physiological tolerances of organisms are known.

A three-dimensional transient mixed hybrid finite element model for superabsorbent polymers with strain-dependent permeability.

PubMed

Yu, Cong; Malakpoor, Kamyar; Huyghe, Jacques M

2018-05-16

A hydrogel is a cross-linked polymer network with water as solvent. Industrially widely used superabsorbent polymers (SAP) are partially neutralized sodium polyacrylate hydrogels. The extremely large degree of swelling is one of the most distinctive characteristics of such hydrogels, as the volume increase can be about 30 times its original volume when exposed to physiological solution. The large deformation resulting from the swelling demands careful numerical treatment. In this work, we present a biphasic continuum-level swelling model using the mixed hybrid finite element method (MHFEM) in three dimensions. The hydraulic permeability is highly dependent on the swelling ratio, resulting in values that are orders of magnitude apart from each other. The property of the local mass conservation of MHFEM contributes to a more accurate calculation of the deformation as the permeability across the swelling gel in a transient state is highly non-uniform. We show that the proposed model is able to simulate the free swelling of a random-shaped gel and the squeezing of fluid out of a swollen gel. Finally, we make use of the proposed numerical model to study the onset of surface instability in transient swelling.

Deformation dependence of proton decay rates and angular distributions in a time-dependent approach

NASA Astrophysics Data System (ADS)

Carjan, N.; Talou, P.; Strottman, D.

1998-12-01

A new, time-dependent, approach to proton decay from axially symmetric deformed nuclei is presented. The two-dimensional time-dependent Schrödinger equation for the interaction between the emitted proton and the rest of the nucleus is solved numerically for well defined initial quasi-stationary proton states. Applied to the hypothetical proton emission from excited states in deformed nuclei of 208Pb, this approach shows that the problem cannot be reduced to one dimension. There are in general more than one directions of emission with wide distributions around them, determined mainly by the quantum numbers of the initial wave function rather than by the potential landscape. The distribution of the "residual" angular momentum and its variation in time play a major role in the determination of the decay rate. In a couple of cases, no exponential decay was found during the calculated time evolution (2×10-21 sec) although more than half of the wave function escaped during that time.

Flow of 3D Eyring-Powell fluid by utilizing Cattaneo-Christov heat flux model and chemical processes over an exponentially stretching surface

NASA Astrophysics Data System (ADS)

Hayat, Tanzila; Nadeem, S.

2018-03-01

This paper examines the three dimensional Eyring-Powell fluid flow over an exponentially stretching surface with heterogeneous-homogeneous chemical reactions. A new model of heat flux suggested by Cattaneo and Christov is employed to study the properties of relaxation time. From the present analysis we observe that there is an inverse relationship between temperature and thermal relaxation time. The temperature in Cattaneo-Christov heat flux model is lesser than the classical Fourier's model. In this paper the three dimensional Cattaneo-Christov heat flux model over an exponentially stretching surface is calculated first time in the literature. For negative values of temperature exponent, temperature profile firstly intensifies to its most extreme esteem and after that gradually declines to zero, which shows the occurrence of phenomenon (SGH) "Sparrow-Gregg hill". Also, for higher values of strength of reaction parameters, the concentration profile decreases.

Real time markerless motion tracking using linked kinematic chains

DOEpatents

Luck, Jason P [Arvada, CO; Small, Daniel E [Albuquerque, NM

2007-08-14

A markerless method is described for tracking the motion of subjects in a three dimensional environment using a model based on linked kinematic chains. The invention is suitable for tracking robotic, animal or human subjects in real-time using a single computer with inexpensive video equipment, and does not require the use of markers or specialized clothing. A simple model of rigid linked segments is constructed of the subject and tracked using three dimensional volumetric data collected by a multiple camera video imaging system. A physics based method is then used to compute forces to align the model with subsequent volumetric data sets in real-time. The method is able to handle occlusion of segments and accommodates joint limits, velocity constraints, and collision constraints and provides for error recovery. The method further provides for elimination of singularities in Jacobian based calculations, which has been problematic in alternative methods.

Navier-Stokes solution on the CYBER-203 by a pseudospectral technique

NASA Technical Reports Server (NTRS)

Lambiotte, J. J.; Hussaini, M. Y.; Bokhari, S.; Orszag, S. A.

1983-01-01

A three-level, time-split, mixed spectral/finite difference method for the numerical solution of the three-dimensional, compressible Navier-Stokes equations has been developed and implemented on the Control Data Corporation (CDC) CYBER-203. This method uses a spectral representation for the flow variables in the streamwise and spanwise coordinates, and central differences in the normal direction. The five dependent variables are interleaved one horizontal plane at a time and the array of their values at the grid points of each horizontal plane is a typical vector in the computation. The code is organized so as to require, per time step, a single forward-backward pass through the entire data base. The one-and two-dimensional Fast Fourier Transforms are performed using software especially developed for the CYBER-203.

Three dimensional model calculations of the global dispersion of high speed aircraft exhaust and implications for stratospheric ozone loss

NASA Technical Reports Server (NTRS)

Douglass, Anne R.; Rood, Richard B.; Jackman, Charles H.; Weaver, Clark J.

1994-01-01

Two-dimensional (zonally averaged) photochemical models are commonly used for calculations of ozone changes due to various perturbations. These include calculating the ozone change expected as a result of change in the lower stratospheric composition due to the exhaust of a fleet of supersonic aircraft flying in the lower stratosphere. However, zonal asymmetries are anticipated to be important to this sort of calculation. The aircraft are expected to be restricted from flying over land at supersonic speed due to sonic booms, thus the pollutant source will not be zonally symmetric. There is loss of pollutant through stratosphere/troposphere exchange, but these processes are spatially and temporally inhomogeneous. Asymmetry in the pollutant distribution contributes to the uncertainty in the ozone changes calculated with two dimensional models. Pollutant distributions for integrations of at least 1 year of continuous pollutant emissions along flight corridors are calculated using a three dimensional chemistry and transport model. These distributions indicate the importance of asymmetry in the pollutant distributions to evaluation of the impact of stratospheric aircraft on ozone. The implications of such pollutant asymmetries to assessment calculations are discussed, considering both homogeneous and heterogeneous reactions.

One-dimensional transport equation models for sound energy propagation in long spaces: theory.

PubMed

Jing, Yun; Larsen, Edward W; Xiang, Ning

2010-04-01

In this paper, a three-dimensional transport equation model is developed to describe the sound energy propagation in a long space. Then this model is reduced to a one-dimensional model by approximating the solution using the method of weighted residuals. The one-dimensional transport equation model directly describes the sound energy propagation in the "long" dimension and deals with the sound energy in the "short" dimensions by prescribed functions. Also, the one-dimensional model consists of a coupled set of N transport equations. Only N=1 and N=2 are discussed in this paper. For larger N, although the accuracy could be improved, the calculation time is expected to significantly increase, which diminishes the advantage of the model in terms of its computational efficiency.

Gravitational microlensing - The effect of random motion of individual stars in the lensing galaxy

NASA Technical Reports Server (NTRS)

Kundic, Tomislav; Wambsganss, Joachim

1993-01-01

We investigate the influence of random motion of individual stars in the lensing galaxy on the light curve of a gravitationally lensed background quasar. We compare this with the effects of the transverse motion of the galaxy. We find that three-dimensional random motion of stars with a velocity dispersion sigma in each dimension is more effective in producing 'peaks' in a microlensed light curve by a factor a about 1.3 than motion of the galaxy with a transverse velocity v(t) = sigma. This effectiveness parameter a seems to depend only weakly on the surface mass density. With an assumed transverse velocity of v(t) = 600 km/s of the galaxy lensing the QSO 2237+0305 and a measured velocity dispersion of sigma = 215 km/s, the expected rate of maxima in the light curves calculated for bulk motion alone has to be increased by about 10 percent due to the random motion of stars. As a consequence, the average time interval Delta t between two high-magnification events is smaller than the time interval Delta(t) bulk, calculated for bulk motion alone, Delta t about 0.9 Delta(t) bulk.

Benchmark measurements and calculations of a 3-dimensional neutron streaming experiment

NASA Astrophysics Data System (ADS)

Barnett, D. A., Jr.

1991-02-01

An experimental assembly known as the Dog-Legged Void assembly was constructed to measure the effect of neutron streaming in iron and void regions. The primary purpose of the measurements was to provide benchmark data against which various neutron transport calculation tools could be compared. The measurements included neutron flux spectra at four places and integral measurements at two places in the iron streaming path as well as integral measurements along several axial traverses. These data have been used in the verification of Oak Ridge National Laboratory's three-dimensional discrete ordinates code, TORT. For a base case calculation using one-half inch mesh spacing, finite difference spatial differencing, an S(sub 16) quadrature and P(sub 1) cross sections in the MUFT multigroup structure, the calculated solution agreed to within 18 percent with the spectral measurements and to within 24 percent of the integral measurements. Variations on the base case using a fewgroup energy structure and P(sub 1) and P(sub 3) cross sections showed similar agreement. Calculations using a linear nodal spatial differencing scheme and fewgroup cross sections also showed similar agreement. For the same mesh size, the nodal method was seen to require 2.2 times as much CPU time as the finite difference method. A nodal calculation using a typical mesh spacing of 2 inches, which had approximately 32 times fewer mesh cells than the base case, agreed with the measurements to within 34 percent and yet required on 8 percent of the CPU time.

Value of three-dimensional volume rendering images in the assessment of the centrality index for preoperative planning in patients with renal masses.

PubMed

Sofia, C; Magno, C; Silipigni, S; Cantisani, V; Mucciardi, G; Sottile, F; Inferrera, A; Mazziotti, S; Ascenti, G

2017-01-01

To evaluate the precision of the centrality index (CI) measurement on three-dimensional (3D) volume rendering technique (VRT) images in patients with renal masses, compared to its standard measurement on axial images. Sixty-five patients with renal lesions underwent contrast-enhanced multidetector (MD) computed tomography (CT) for preoperative imaging. Two readers calculated the CI on two-dimensional axial images and on VRT images, measuring it in the plane that the tumour and centre of the kidney were lying in. Correlation and agreement of interobserver measurements and inter-method results were calculated using intraclass correlation (ICC) coefficients and the Bland-Altman method. Time saving was also calculated. The correlation coefficients were r=0.99 (p<0.05) and r=0.99 (p<0.05) for both the CI on axial and VRT images, with an ICC of 0.99, and 0.99, respectively. Correlation between the two methods of measuring the CI on VRT and axial CT images was r=0.99 (p<0.05). The two methods showed a mean difference of -0.03 (SD 0.13). Mean time saving per each examination with VRT was 45.5%. The present study showed that VRT and axial images produce almost identical values of CI, with the advantages of greater ease of execution and a time saving of almost 50% for 3D VRT images. In addition, VRT provides an integrated perspective that can better assist surgeons in clinical decision making and in operative planning, suggesting this technique as a possible standard method for CI measurement. Copyright © 2016 The Royal College of Radiologists. Published by Elsevier Ltd. All rights reserved.

A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Qingyong, E-mail: mengqingyong@dicp.ac.cn; Meyer, Hans-Dieter, E-mail: hans-dieter.meyer@pci.uni-heidelberg.de

2014-09-28

Employing the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method in conjunction with the multistate multimode vibronic coupling Hamiltonian (MMVCH) model, we perform a full dimensional (9D) quantum dynamical study on the simplest Criegee intermediate, formaldehyde oxide, in five lower-lying singlet electronic states. The ultraviolet (UV) spectrum is then simulated by a Fourier transform of the auto-correlation function. The MMVCH model is built based on extensive MRCI(8e,8o)/aug-cc-pVTZ calculations. To ensure a fast convergence of the final calculations, a large number of ML-MCTDH test calculations is performed to find an appropriate multilayer separations (ML-trees) of the ML-MCTDH nuclear wave functions, and the dynamicalmore » calculations are carefully checked to ensure that the calculations are well converged. To compare the computational efficiency, standard MCTDH simulations using the same Hamiltonian are also performed. A comparison of the MCTDH and ML-MCTDH calculations shows that even for the present not-too-large system (9D here) the ML-MCTDH calculations can save a considerable amount of computational resources while producing identical spectra as the MCTDH calculations. Furthermore, the present theoretical B{sup ~} {sup 1}A{sup ′}←X{sup ~} {sup 1}A{sup ′} UV spectral band and the corresponding experimental measurements [J. M. Beames, F. Liu, L. Lu, and M. I. Lester, J. Am. Chem. Soc. 134, 20045–20048 (2012); L. Sheps, J. Phys. Chem. Lett. 4, 4201–4205 (2013); W.-L. Ting, Y.-H. Chen, W. Chao, M. C. Smith, and J. J.-M. Lin, Phys. Chem. Chem. Phys. 16, 10438–10443 (2014)] are discussed. To the best of our knowledge, this is the first theoretical UV spectrum simulated for this molecule including nuclear motion beyond an adiabatic harmonic approximation.« less

Iterative methods for plasma sheath calculations: Application to spherical probe

NASA Technical Reports Server (NTRS)

Parker, L. W.; Sullivan, E. C.

1973-01-01

The computer cost of a Poisson-Vlasov iteration procedure for the numerical solution of a steady-state collisionless plasma-sheath problem depends on: (1) the nature of the chosen iterative algorithm, (2) the position of the outer boundary of the grid, and (3) the nature of the boundary condition applied to simulate a condition at infinity (as in three-dimensional probe or satellite-wake problems). Two iterative algorithms, in conjunction with three types of boundary conditions, are analyzed theoretically and applied to the computation of current-voltage characteristics of a spherical electrostatic probe. The first algorithm was commonly used by physicists, and its computer costs depend primarily on the boundary conditions and are only slightly affected by the mesh interval. The second algorithm is not commonly used, and its costs depend primarily on the mesh interval and slightly on the boundary conditions.

Laser Metalworking Technology Transfer.

DTIC Science & Technology

1986-01-01

TI 59 programmable calculator /printer...the .4 one-dimensional heat flow model and should not be used for low processing speed. The program is written for use on a Texas Instrument TI 59 programmable calculator with...speed range, and a three-dimensional model for the low speed ranges. The program is written for use on a Texas Instrument TI 59 . * programmable calculator

Effect of Pulse Shape on Spall Strength

NASA Astrophysics Data System (ADS)

Smirnov, V. I.; Petrov, Yu. V.

2018-03-01

This paper analyzes the effect of the time-dependent shape of a load pulse on the spall strength of materials. Within the framework of a classical one-dimensional scheme, triangular pulses with signal rise and decay portions and with no signal rise portions considered. Calculation results for the threshold characteristics of fracture for rail steel are given. The possibility of optimization of fracture by selecting a loading time with the use of an introduced characteristic of dynamic strength (pulse fracture capacity) is demonstrated. The study is carried out using a structure-time fracture criterion.

Tests with three-dimensional adjustments in the rectangular working section of the French T2 wind tunnel with an AS 07-type swept-back wing model

NASA Technical Reports Server (NTRS)

Blanchard, A.; Payry, M. J.; Breil, J. F.

1986-01-01

The results obtained on the AS 07 wing and the working section walls for three types of configurations are reported. The first, called non-adapted, corresponds to the divergent upper and lower rectilinear walls which compensate for limit layer thickening. It can serve as a basis for complete flow calculations. The second configuration corresponds to wall shapes determined from calculations which tend to minimize interference at the level of the fuselage. Finally, the third configuration, called two-dimensional adaptation, uses the standard method for T2 profile tests. This case was tested to determine the influence of wall shape and error magnitude. These results are not sufficient to validate the three-dimensional adaptation; they must be coordinated with calculations or with unlimited atmosphere tests.

A Numerical Method of Calculating Propeller Noise Including Acoustic Nonlinear Effects

NASA Technical Reports Server (NTRS)

Korkan, K. D.

1985-01-01

Using the transonic flow fields(s) generated by the NASPROP-E computer code for an eight blade SR3-series propeller, a theoretical method is investigated to calculate the total noise values and frequency content in the acoustic near and far field without using the Ffowcs Williams - Hawkings equation. The flow field is numerically generated using an implicit three dimensional Euler equation solver in weak conservation law form. Numerical damping is required by the differencing method for stability in three dimensions, and the influence of the damping on the calculated acoustic values is investigated. The acoustic near field is solved by integrating with respect to time the pressure oscillations induced at a stationary observer location. The acoustic far field is calculated from the near field primitive variables as generated by NASPROP-E computer code using a method involving a perturbation velocity potential as suggested by Hawkings in the calculation of the acoustic pressure time-history at a specified far field observed location. the methodologies described are valid for calculating total noise levels and are applicable to any propeller geometry for which a flow field solution is available.

Strain-Tuning Atomic Substitution in Two-Dimensional Atomic Crystals.

PubMed

Li, Honglai; Liu, Hongjun; Zhou, Linwei; Wu, Xueping; Pan, Yuhao; Ji, Wei; Zheng, Biyuan; Zhang, Qinglin; Zhuang, Xiujuan; Zhu, Xiaoli; Wang, Xiao; Duan, Xiangfeng; Pan, Anlian

2018-05-22

Atomic substitution offers an important route to achieve compositionally engineered two-dimensional nanostructures and their heterostructures. Despite the recent research progress, the fundamental understanding of the reaction mechanism has still remained unclear. Here, we reveal the atomic substitution mechanism of two-dimensional atomic layered materials. We found that the atomic substitution process depends on the varying lattice constant (strain) in monolayer crystals, dominated by two strain-tuning (self-promoted and self-limited) mechanisms using density functional theory calculations. These mechanisms were experimentally confirmed by the controllable realization of a graded substitution ratio in the monolayers by controlling the substitution temperature and time and further theoretically verified by kinetic Monte Carlo simulations. The strain-tuning atomic substitution processes are of general importance to other two-dimensional layered materials, which offers an interesting route for tailoring electronic and optical properties of these materials.

A new Gaussian MCTDH program: Implementation and validation on the levels of the water and glycine molecules

NASA Astrophysics Data System (ADS)

Skouteris, D.; Barone, V.

2014-06-01

We report the main features of a new general implementation of the Gaussian Multi-Configuration Time-Dependent Hartree model. The code allows effective computations of time-dependent phenomena, including calculation of vibronic spectra (in one or more electronic states), relative state populations, etc. Moreover, by expressing the Dirac-Frenkel variational principle in terms of an effective Hamiltonian, we are able to provide a new reliable estimate of the representation error. After validating the code on simple one-dimensional systems, we analyze the harmonic and anharmonic vibrational spectra of water and glycine showing that reliable and converged energy levels can be obtained with reasonable computing resources. The data obtained on water and glycine are compared with results of previous calculations using the vibrational second-order perturbation theory method. Additional features and perspectives are also shortly discussed.

Calculation of three-dimensional (3-D) internal flow by means of the velocity-vorticity formulation on a staggered grid

NASA Technical Reports Server (NTRS)

Stremel, Paul M.

1995-01-01

A method has been developed to accurately compute the viscous flow in three-dimensional (3-D) enclosures. This method is the 3-D extension of a two-dimensional (2-D) method developed for the calculation of flow over airfoils. The 2-D method has been tested extensively and has been shown to accurately reproduce experimental results. As in the 2-D method, the 3-D method provides for the non-iterative solution of the incompressible Navier-Stokes equations by means of a fully coupled implicit technique. The solution is calculated on a body fitted computational mesh incorporating a staggered grid methodology. In the staggered grid method, the three components of vorticity are defined at the centers of the computational cell sides, while the velocity components are defined as normal vectors at the centers of the computational cell faces. The staggered grid orientation provides for the accurate definition of the vorticity components at the vorticity locations, the divergence of vorticity at the mesh cell nodes and the conservation of mass at the mesh cell centers. The solution is obtained by utilizing a fractional step solution technique in the three coordinate directions. The boundary conditions for the vorticity and velocity are calculated implicitly as part of the solution. The method provides for the non-iterative solution of the flow field and satisfies the conservation of mass and divergence of vorticity to machine zero at each time step. To test the method, the calculation of simple driven cavity flows have been computed. The driven cavity flow is defined as the flow in an enclosure driven by a moving upper plate at the top of the enclosure. To demonstrate the ability of the method to predict the flow in arbitrary cavities, results will he shown for both cubic and curved cavities.

THREE-DIMENSIONAL MODEL FOR HYPERTHERMIA CALCULATIONS

EPA Science Inventory

Realistic three-dimensional models that predict temperature distributions with a high degree of spatial resolution in bodies exposed to electromagnetic (EM) fields are required in the application of hyperthermia for cancer treatment. To ascertain the thermophysiologic response of...

Building the 3D Geological Model of Wall Rock of Salt Caverns Based on Integration Method of Multi-source data

NASA Astrophysics Data System (ADS)

Yongzhi, WANG; hui, WANG; Lixia, LIAO; Dongsen, LI

2017-02-01

In order to analyse the geological characteristics of salt rock and stability of salt caverns, rough three-dimensional (3D) models of salt rock stratum and the 3D models of salt caverns on study areas are built by 3D GIS spatial modeling technique. During implementing, multi-source data, such as basic geographic data, DEM, geological plane map, geological section map, engineering geological data, and sonar data are used. In this study, the 3D spatial analyzing and calculation methods, such as 3D GIS intersection detection method in three-dimensional space, Boolean operations between three-dimensional space entities, three-dimensional space grid discretization, are used to build 3D models on wall rock of salt caverns. Our methods can provide effective calculation models for numerical simulation and analysis of the creep characteristics of wall rock in salt caverns.

The spatial variability of coastal surface water temperature during upwelling. [in Lake Superior

NASA Technical Reports Server (NTRS)

Scarpace, F. L.; Green, T., III

1979-01-01

Thermal scanner imagery acquired during a field experiment designed to study an upwelling event in Lake Superior is investigated. Temperature data were measured by the thermal scanner, with a spatial resolution of 7 m. These data were correlated with temperatures measured from boats. One- and two-dimensional Fourier transforms of the data were calculated and temperature variances as a function of wavenumber were plotted. A k-to-the-minus-three dependence of the temperature variance on wavenumber was found in the wavenumber range of 1-25/km. At wavenumbers greater than 25/km, a k-to-the-minus-five-thirds dependence was found.

Three-dimensional multigrid Navier-Stokes computations for turbomachinery applications

NASA Astrophysics Data System (ADS)

Subramanian, S. V.

1989-07-01

The fully three-dimensional, time-dependent compressible Navier-Stokes equations in cylindrical coordinates are presently used, in conjunction with the multistage Runge-Kutta numerical integration scheme for solution of the governing flow equations, to simulate complex flowfields within turbomechanical components whose pertinent effects encompass those of viscosity, compressibility, blade rotation, and tip clearance. Computed results are presented for selected cascades, emphasizing the code's capabilities in the accurate prediction of such features as airfoil loadings, exit flow angles, shocks, and secondary flows. Computations for several test cases have been performed on a Cray-YMP, using nearly 90,000 grid points.

Users manual for the NASA Lewis three-dimensional ice accretion code (LEWICE 3D)

NASA Technical Reports Server (NTRS)

Bidwell, Colin S.; Potapczuk, Mark G.

1993-01-01

A description of the methodology, the algorithms, and the input and output data along with an example case for the NASA Lewis 3D ice accretion code (LEWICE3D) has been produced. The manual has been designed to help the user understand the capabilities, the methodologies, and the use of the code. The LEWICE3D code is a conglomeration of several codes for the purpose of calculating ice shapes on three-dimensional external surfaces. A three-dimensional external flow panel code is incorporated which has the capability of calculating flow about arbitrary 3D lifting and nonlifting bodies with external flow. A fourth order Runge-Kutta integration scheme is used to calculate arbitrary streamlines. An Adams type predictor-corrector trajectory integration scheme has been included to calculate arbitrary trajectories. Schemes for calculating tangent trajectories, collection efficiencies, and concentration factors for arbitrary regions of interest for single droplets or droplet distributions have been incorporated. A LEWICE 2D based heat transfer algorithm can be used to calculate ice accretions along surface streamlines. A geometry modification scheme is incorporated which calculates the new geometry based on the ice accretions generated at each section of interest. The three-dimensional ice accretion calculation is based on the LEWICE 2D calculation. Both codes calculate the flow, pressure distribution, and collection efficiency distribution along surface streamlines. For both codes the heat transfer calculation is divided into two regions, one above the stagnation point and one below the stagnation point, and solved for each region assuming a flat plate with pressure distribution. Water is assumed to follow the surface streamlines, hence starting at the stagnation zone any water that is not frozen out at a control volume is assumed to run back into the next control volume. After the amount of frozen water at each control volume has been calculated the geometry is modified by adding the ice at each control volume in the surface normal direction.

Numerical calculation of the internal flow field in a centrifugal compressor impeller

NASA Technical Reports Server (NTRS)

Walitt, L.; Harp, J. L., Jr.; Liu, C. Y.

1975-01-01

An iterative numerical method has been developed for the calculation of steady, three-dimensional, viscous, compressible flow fields in centrifugal compressor impellers. The computer code, which embodies the method, solves the steady three dimensional, compressible Navier-Stokes equations in rotating, curvilinear coordinates. The solution takes place on blade-to-blade surfaces of revolution which move from the hub to the shroud during each iteration.

Stress and Reliability Analysis of a Metal-Ceramic Dental Crown

NASA Technical Reports Server (NTRS)

Anusavice, Kenneth J; Sokolowski, Todd M.; Hojjatie, Barry; Nemeth, Noel N.

1996-01-01

Interaction of mechanical and thermal stresses with the flaws and microcracks within the ceramic region of metal-ceramic dental crowns can result in catastrophic or delayed failure of these restorations. The objective of this study was to determine the combined influence of induced functional stresses and pre-existing flaws and microcracks on the time-dependent probability of failure of a metal-ceramic molar crown. A three-dimensional finite element model of a porcelain fused-to-metal (PFM) molar crown was developed using the ANSYS finite element program. The crown consisted of a body porcelain, opaque porcelain, and a metal substrate. The model had a 300 Newton load applied perpendicular to one cusp, a load of 30ON applied at 30 degrees from the perpendicular load case, directed toward the center, and a 600 Newton vertical load. Ceramic specimens were subjected to a biaxial flexure test and the load-to-failure of each specimen was measured. The results of the finite element stress analysis and the flexure tests were incorporated in the NASA developed CARES/LIFE program to determine the Weibull and fatigue parameters and time-dependent fracture reliability of the PFM crown. CARES/LIFE calculates the time-dependent reliability of monolithic ceramic components subjected to thermomechanical and/Or proof test loading. This program is an extension of the CARES (Ceramics Analysis and Reliability Evaluation of Structures) computer program.

Deterministic Stress Modeling of Hot Gas Segregation in a Turbine

NASA Technical Reports Server (NTRS)

Busby, Judy; Sondak, Doug; Staubach, Brent; Davis, Roger

1998-01-01

Simulation of unsteady viscous turbomachinery flowfields is presently impractical as a design tool due to the long run times required. Designers rely predominantly on steady-state simulations, but these simulations do not account for some of the important unsteady flow physics. Unsteady flow effects can be modeled as source terms in the steady flow equations. These source terms, referred to as Lumped Deterministic Stresses (LDS), can be used to drive steady flow solution procedures to reproduce the time-average of an unsteady flow solution. The goal of this work is to investigate the feasibility of using inviscid lumped deterministic stresses to model unsteady combustion hot streak migration effects on the turbine blade tip and outer air seal heat loads using a steady computational approach. The LDS model is obtained from an unsteady inviscid calculation. The LDS model is then used with a steady viscous computation to simulate the time-averaged viscous solution. Both two-dimensional and three-dimensional applications are examined. The inviscid LDS model produces good results for the two-dimensional case and requires less than 10% of the CPU time of the unsteady viscous run. For the three-dimensional case, the LDS model does a good job of reproducing the time-averaged viscous temperature migration and separation as well as heat load on the outer air seal at a CPU cost that is 25% of that of an unsteady viscous computation.

One-dimensional time-dependent fluid model of a very high density low-pressure inductively coupled plasma

DOE PAGES

Chaplin, Vernon H.; Bellan, Paul M.

2015-12-28

A time-dependent two-fluid model has been developed to understand axial variations in the plasma parameters in a very high density (peak n e~ > 5x10 19 m –3) argon inductively coupled discharge in a long 1.1 cm radius tube. The model equations are written in 1D, with radial losses to the tube walls accounted for by the inclusion of effective particle and energy sink terms. The ambipolar diffusion equation and electron energy equation are solved to find the electron density n e(z,t) and temperature T e(z,t), and the populations of the neutral argon 4s metastable, 4s resonant, and 4p excitedmore » state manifolds are calculated in order to determine the stepwise ionization rate and calculate radiative energy losses. The model has been validated through comparisons with Langmuir probe ion saturation current measurements; close agreement between the simulated and measured axial plasma density profiles and the initial density rise rate at each location was obtained at p Ar = 30-60 mTorr. Lastly, we present detailed results from calculations at 60 mTorr, including the time-dependent electron temperature, excited state populations, and energy budget within and downstream of the radiofrequency (RF) antenna.« less

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

NASA Technical Reports Server (NTRS)

Hall, Edward J.; Delaney, Robert A.; Bettner, James L.

1991-01-01

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.

Numerical Modeling of Three-Dimensional Confined Flows

NASA Technical Reports Server (NTRS)

Greywall, M. S.

1981-01-01

A three dimensional confined flow model is presented. The flow field is computed by calculating velocity and enthalpy along a set of streamlines. The finite difference equations are obtained by applying conservation principles to streamtubes constructed around the chosen streamlines. With appropriate substitutions for the body force terms, the approach computes three dimensional magnetohydrodynamic channel flows. A listing of a computer code, based on this approach is presented in FORTRAN IV language. The code computes three dimensional compressible viscous flow through a rectangular duct, with the duct cross section specified along the axis.

1D-3D hybrid modeling-from multi-compartment models to full resolution models in space and time.

PubMed

Grein, Stephan; Stepniewski, Martin; Reiter, Sebastian; Knodel, Markus M; Queisser, Gillian

2014-01-01

Investigation of cellular and network dynamics in the brain by means of modeling and simulation has evolved into a highly interdisciplinary field, that uses sophisticated modeling and simulation approaches to understand distinct areas of brain function. Depending on the underlying complexity, these models vary in their level of detail, in order to cope with the attached computational cost. Hence for large network simulations, single neurons are typically reduced to time-dependent signal processors, dismissing the spatial aspect of each cell. For single cell or networks with relatively small numbers of neurons, general purpose simulators allow for space and time-dependent simulations of electrical signal processing, based on the cable equation theory. An emerging field in Computational Neuroscience encompasses a new level of detail by incorporating the full three-dimensional morphology of cells and organelles into three-dimensional, space and time-dependent, simulations. While every approach has its advantages and limitations, such as computational cost, integrated and methods-spanning simulation approaches, depending on the network size could establish new ways to investigate the brain. In this paper we present a hybrid simulation approach, that makes use of reduced 1D-models using e.g., the NEURON simulator-which couples to fully resolved models for simulating cellular and sub-cellular dynamics, including the detailed three-dimensional morphology of neurons and organelles. In order to couple 1D- and 3D-simulations, we present a geometry-, membrane potential- and intracellular concentration mapping framework, with which graph- based morphologies, e.g., in the swc- or hoc-format, are mapped to full surface and volume representations of the neuron and computational data from 1D-simulations can be used as boundary conditions for full 3D simulations and vice versa. Thus, established models and data, based on general purpose 1D-simulators, can be directly coupled to the emerging field of fully resolved, highly detailed 3D-modeling approaches. We present the developed general framework for 1D/3D hybrid modeling and apply it to investigate electrically active neurons and their intracellular spatio-temporal calcium dynamics.

1D-3D hybrid modeling—from multi-compartment models to full resolution models in space and time

PubMed Central

Grein, Stephan; Stepniewski, Martin; Reiter, Sebastian; Knodel, Markus M.; Queisser, Gillian

2014-01-01

Investigation of cellular and network dynamics in the brain by means of modeling and simulation has evolved into a highly interdisciplinary field, that uses sophisticated modeling and simulation approaches to understand distinct areas of brain function. Depending on the underlying complexity, these models vary in their level of detail, in order to cope with the attached computational cost. Hence for large network simulations, single neurons are typically reduced to time-dependent signal processors, dismissing the spatial aspect of each cell. For single cell or networks with relatively small numbers of neurons, general purpose simulators allow for space and time-dependent simulations of electrical signal processing, based on the cable equation theory. An emerging field in Computational Neuroscience encompasses a new level of detail by incorporating the full three-dimensional morphology of cells and organelles into three-dimensional, space and time-dependent, simulations. While every approach has its advantages and limitations, such as computational cost, integrated and methods-spanning simulation approaches, depending on the network size could establish new ways to investigate the brain. In this paper we present a hybrid simulation approach, that makes use of reduced 1D-models using e.g., the NEURON simulator—which couples to fully resolved models for simulating cellular and sub-cellular dynamics, including the detailed three-dimensional morphology of neurons and organelles. In order to couple 1D- and 3D-simulations, we present a geometry-, membrane potential- and intracellular concentration mapping framework, with which graph- based morphologies, e.g., in the swc- or hoc-format, are mapped to full surface and volume representations of the neuron and computational data from 1D-simulations can be used as boundary conditions for full 3D simulations and vice versa. Thus, established models and data, based on general purpose 1D-simulators, can be directly coupled to the emerging field of fully resolved, highly detailed 3D-modeling approaches. We present the developed general framework for 1D/3D hybrid modeling and apply it to investigate electrically active neurons and their intracellular spatio-temporal calcium dynamics. PMID:25120463

On local strong solutions to the three-dimensional nonhomogeneous incompressible magnetohydrodynamic equations with density-dependent viscosity and vacuum

NASA Astrophysics Data System (ADS)

Song, Sisi

2018-04-01

This paper concerns the three-dimensional nonhomogeneous incompressible magnetohydrodynamic equations with density-dependent viscosity and vacuum on Ω \\subset R^3. The domain Ω \\subset R^3 is a general connected smooth one, either bounded or unbounded. In particular, the initial density can have compact support when Ω is unbounded. First, we obtain the local existence and uniqueness of strong solution to the three-dimensional nonhomogeneous incompressible magnetohydrodynamic equations without any compatibility condition assumed on the initial data. Then, we also prove the continuous dependence of strong solution on the initial data under an additional compatibility condition.

NLSEmagic: Nonlinear Schrödinger equation multi-dimensional Matlab-based GPU-accelerated integrators using compact high-order schemes

NASA Astrophysics Data System (ADS)

Caplan, R. M.

2013-04-01

We present a simple to use, yet powerful code package called NLSEmagic to numerically integrate the nonlinear Schrödinger equation in one, two, and three dimensions. NLSEmagic is a high-order finite-difference code package which utilizes graphic processing unit (GPU) parallel architectures. The codes running on the GPU are many times faster than their serial counterparts, and are much cheaper to run than on standard parallel clusters. The codes are developed with usability and portability in mind, and therefore are written to interface with MATLAB utilizing custom GPU-enabled C codes with the MEX-compiler interface. The packages are freely distributed, including user manuals and set-up files. Catalogue identifier: AEOJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEOJ_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 124453 No. of bytes in distributed program, including test data, etc.: 4728604 Distribution format: tar.gz Programming language: C, CUDA, MATLAB. Computer: PC, MAC. Operating system: Windows, MacOS, Linux. Has the code been vectorized or parallelized?: Yes. Number of processors used: Single CPU, number of GPU processors dependent on chosen GPU card (max is currently 3072 cores on GeForce GTX 690). Supplementary material: Setup guide, Installation guide. RAM: Highly dependent on dimensionality and grid size. For typical medium-large problem size in three dimensions, 4GB is sufficient. Keywords: Nonlinear Schröodinger Equation, GPU, high-order finite difference, Bose-Einstien condensates. Classification: 4.3, 7.7. Nature of problem: Integrate solutions of the time-dependent one-, two-, and three-dimensional cubic nonlinear Schrödinger equation. Solution method: The integrators utilize a fully-explicit fourth-order Runge-Kutta scheme in time and both second- and fourth-order differencing in space. The integrators are written to run on NVIDIA GPUs and are interfaced with MATLAB including built-in visualization and analysis tools. Restrictions: The main restriction for the GPU integrators is the amount of RAM on the GPU as the code is currently only designed for running on a single GPU. Unusual features: Ability to visualize real-time simulations through the interaction of MATLAB and the compiled GPU integrators. Additional comments: Setup guide and Installation guide provided. Program has a dedicated web site at www.nlsemagic.com. Running time: A three-dimensional run with a grid dimension of 87×87×203 for 3360 time steps (100 non-dimensional time units) takes about one and a half minutes on a GeForce GTX 580 GPU card.

Manipulating matter rogue waves and breathers in Bose-Einstein condensates.

PubMed

Manikandan, K; Muruganandam, P; Senthilvelan, M; Lakshmanan, M

2014-12-01

We construct higher-order rogue wave solutions and breather profiles for the quasi-one-dimensional Gross-Pitaevskii equation with a time-dependent interatomic interaction and external trap through the similarity transformation technique. We consider three different forms of traps: (i) the time-independent expulsive trap, (ii) time-dependent monotonous trap, and (iii) time-dependent periodic trap. Our results show that when we change a parameter appearing in the time-independent or time-dependent trap the second- and third-order rogue waves transform into the first-order-like rogue waves. We also analyze the density profiles of breather solutions. Here we also show that the shapes of the breathers change when we tune the strength of the trap parameter. Our results may help to manage rogue waves experimentally in a BEC system.

Finite state modeling of aeroelastic systems

NASA Technical Reports Server (NTRS)

Vepa, R.

1977-01-01

A general theory of finite state modeling of aerodynamic loads on thin airfoils and lifting surfaces performing completely arbitrary, small, time-dependent motions in an airstream is developed and presented. The nature of the behavior of the unsteady airloads in the frequency domain is explained, using as raw materials any of the unsteady linearized theories that have been mechanized for simple harmonic oscillations. Each desired aerodynamic transfer function is approximated by means of an appropriate Pade approximant, that is, a rational function of finite degree polynomials in the Laplace transform variable. The modeling technique is applied to several two dimensional and three dimensional airfoils. Circular, elliptic, rectangular and tapered planforms are considered as examples. Identical functions are also obtained for control surfaces for two and three dimensional airfoils.

Crystal structure, spectroscopic study, photoluminescent properties and DFT calculations of the 2-guanidinobenzimidazolium dichloride and dibromide monohydrate salts

NASA Astrophysics Data System (ADS)

Hassen, S.; Chebbi, H.; Zid, M. F.; Arfaoui, Y.

2018-09-01

Two organic salts compounds C8H13Cl2N5O(1) and C8H13Br2N5O(2) were prepared by slow evaporation at room temperature and characterized through single-crystal X-ray diffraction, photoluminescence, IR and UV-Vis diffuse reflectance spectroscopy (UV/DRS) from which the optical properties were determined. The asymmetric unit of (1) and (2) consists of a discrete guanidinobenzimidazolium, two halide anions X- (X = Cl, Br) and one crystallization water molecule. The crystal structures of the two title salts are stabilized by Nsbnd H … X, Osbnd H … X, Nsbnd H⋯O and Csbnd H … X hydrogen bonds. Moreover, the protonated 2-guanidobenzimidazole shows a π-π interaction adding extra stability to the three-dimensional architecture. The ground state geometries of the two compounds were optimized using density functional theory (DFT) at the 6-311+G(2d, 2p) level of theory. In order to study the excited states, time-depending density functional theory calculations were performed on the optimized structures at the same level of theory. The calculated electronic absorption and infrared spectra were in good agreement with the experimental ones.

3-Dimensional Marine CSEM Modeling by Employing TDFEM with Parallel Solvers

NASA Astrophysics Data System (ADS)

Wu, X.; Yang, T.

2013-12-01

In this paper, parallel fulfillment is developed for forward modeling of the 3-Dimensional controlled source electromagnetic (CSEM) by using time-domain finite element method (TDFEM). Recently, a greater attention rises on research of hydrocarbon (HC) reservoir detection mechanism in the seabed. Since China has vast ocean resources, seeking hydrocarbon reservoirs become significant in the national economy. However, traditional methods of seismic exploration shown a crucial obstacle to detect hydrocarbon reservoirs in the seabed with a complex structure, due to relatively high acquisition costs and high-risking exploration. In addition, the development of EM simulations typically requires both a deep knowledge of the computational electromagnetics (CEM) and a proper use of sophisticated techniques and tools from computer science. However, the complexity of large-scale EM simulations often requires large memory because of a large amount of data, or solution time to address problems concerning matrix solvers, function transforms, optimization, etc. The objective of this paper is to present parallelized implementation of the time-domain finite element method for analysis of three-dimensional (3D) marine controlled source electromagnetic problems. Firstly, we established a three-dimensional basic background model according to the seismic data, then electromagnetic simulation of marine CSEM was carried out by using time-domain finite element method, which works on a MPI (Message Passing Interface) platform with exact orientation to allow fast detecting of hydrocarbons targets in ocean environment. To speed up the calculation process, SuperLU of an MPI (Message Passing Interface) version called SuperLU_DIST is employed in this approach. Regarding the representation of three-dimension seabed terrain with sense of reality, the region is discretized into an unstructured mesh rather than a uniform one in order to reduce the number of unknowns. Moreover, high-order Whitney vector basis functions are used for spatial discretization within the finite element approach to approximate the electric field. A horizontal electric dipole was used as a source, and an array of the receiver located at the seabed. To capture the presence of the hydrocarbon layer, the forward responses at water depths from 100m to 3000m are calculated. The normalized Magnitude Versus Offset (N-MVO) and Phase Versus Offset (PVO) curve can reflect resistive characteristics of hydrocarbon layers. For future work, Graphics Process Unit (GPU) acceleration algorithm would be carried out to multiply the calculation efficiency greatly.

Accurate solutions for transonic viscous flow over finite wings

NASA Technical Reports Server (NTRS)

Vatsa, V. N.

1986-01-01

An explicit multistage Runge-Kutta type time-stepping scheme is used for solving the three-dimensional, compressible, thin-layer Navier-Stokes equations. A finite-volume formulation is employed to facilitate treatment of complex grid topologies encountered in three-dimensional calculations. Convergence to steady state is expedited through usage of acceleration techniques. Further numerical efficiency is achieved through vectorization of the computer code. The accuracy of the overall scheme is evaluated by comparing the computed solutions with the experimental data for a finite wing under different test conditions in the transonic regime. A grid refinement study ir conducted to estimate the grid requirements for adequate resolution of salient features of such flows.

Primordial Particles; Collisions of Inelastic Particles

NASA Astrophysics Data System (ADS)

Sagi, George

2011-03-01

Three-dimensional matter is not defined by Euclidian or Cartesian geometries. Newton's and Einstein's laws are related to the motions of elastic masses. The study of collisions of inelastic particles opens up new vistas in physics. The present article reveals how such particles create clusters composed of various numbers of particles. The Probability of each formation, duplets, triplets, etc. can be calculated. The particles are held together by a binding force, and depending upon the angles of collisions they may also rotate around their center of geometry. Because of these unique properties such inelastic particles are referred to as primordial particles, Pp. When a given density of Pp per cubic space is given, then random collisions create a field. The calculation of the properties of such primordial field is very complex and beyond the present study. However, the angles of collisions are infinite in principle, but the probabilities of various cluster sizes are quantum dependent. Consequently, field calculations will require new complex mathematical methods to be discovered yet.

A versatile approach to the study of the transient response of a submerged thin shell

NASA Astrophysics Data System (ADS)

Leblond, C.; Sigrist, J.-F.

2010-01-01

The transient response of submerged two-dimensional thin shell subjected to weak acoustical or mechanical excitations is addressed in this paper. The proposed approach is first exposed in a detailed manner: it is based on Laplace transform in time, in vacuo eigenvector expansion with time-dependent coefficients for the structural dynamics and boundary-integral formulation for the fluid. The projection of the fluid pressure on the in vacuo eigenvectors leads to a fully coupled system involving the modal time-dependent displacement coefficients, which are the problem unknowns. They are simply determined by matrix inversion in the Laplace domain. Application of the method to the response of a two-dimensional immersed shell to a weak acoustical excitation is then exposed: the proposed test-case corresponds to the design of immersed structures subjected to underwater explosions, which is of paramount importance in naval shipbuilding. Comparison of a numerical calculation based on the proposed approach with an analytical solution is exposed; versatility of the method is also highlighted by referring to "classical" FEM/FEM or FEM/BEM simulations. As a conspicuous feature of the method, calculation of the fluid response functions corresponding to a given geometry has to be performed once, allowing various simulations for different material properties of the structure, as well as for various excitations on the structure. This versatile approach can therefore be efficiently and extensively used for design purposes.

Skyshine radiation from a pressurized water reactor containment dome

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng, W.H.

1986-06-01

The radiation dose rates resulting from airborne activities inside a postaccident pressurized water reactor containment are calculated by a discrete ordinates/Monte Carlo combined method. The calculated total dose rates and the skyshine component are presented as a function of distance from the containment at three different elevations for various gamma-ray source energies. The one-dimensional (ANISN code) is used to approximate the skyshine dose rates from the hemisphere dome, and the results are compared favorably to more rigorous results calculated by a three-dimensional Monte Carlo code.

A method of measuring three-dimensional scapular attitudes using the optotrak probing system.

PubMed

Hébert, L J; Moffet, H; McFadyen, B J; St-Vincent, G

2000-01-01

To develop a method to obtain accurate three-dimensional scapular attitudes and to assess their concurrent validity and reliability. In this methodological study, the three-dimensional scapular attitudes were calculated in degrees, using a rotation matrix (cyclic Cardanic sequence), from spatial coordinates obtained with the probing of three non colinear landmarks first on an anatomical model and second on a healthy subject. Although abnormal movement of the scapula is related to shoulder impingement syndrome, it is not clearly understood whether or not scapular motion impairment is a predisposing factor. Characterization of three-dimensional scapular attitudes in planes and at joint angles for which sub-acromial impingement is more likely to occur is not known. The Optotrak probing system was used. An anatomical model of the scapula was built and allowed us to impose scapular attitudes of known direction and magnitude. A local coordinate reference system was defined with three non colinear anatomical landmarks to assess accuracy and concurrent validity of the probing method with fixed markers. Axial rotation angles were calculated from a rotation matrix using a cyclic Cardanic sequence of rotations. The same three non colinear body landmarks were digitized on one healthy subject and the three dimensional scapular attitudes obtained were compared between sessions in order to assess the reliability. The measure of three dimensional scapular attitudes calculated from data using the Optotrak probing system was accurate with means of the differences between imposed and calculated rotation angles ranging from 1.5 degrees to 4.2 degrees. Greatest variations were observed around the third axis of the Cardanic sequence associated with posterior-anterior transverse rotations. The mean difference between the Optotrak probing system method and fixed markers was 1.73 degrees showing a good concurrent validity. Differences between the two methods were generally very low for one and two direction displacements and the largest discrepancies were observed for imposed displacements combining movement about the three axes. The between sessions variation of three dimensional scapular attitudes was less than 10% for most of the arm positions adopted by a healthy subject suggesting a good reliability. The Optotrak probing system used with a standardized protocol lead to accurate, valid and reliable measures of scapular attitudes. Although abnormal range of motion of the scapula is often related to shoulder pathologies, reliable outcome measures to quantify three-dimensional scapular motion on subjects are not available. It is important to establish a standardized protocol to characterize three-dimensional scapular motion on subjects using a method for which the accuracy and validity are known. The method used in the present study has provided such a protocol and will now allow to verify to what extent, scapular motion impairment is linked to the development of specific shoulder pathologies.

Diffusion of active chiral particles

NASA Astrophysics Data System (ADS)

Sevilla, Francisco J.

2016-12-01

The diffusion of chiral active Brownian particles in three-dimensional space is studied analytically, by consideration of the corresponding Fokker-Planck equation for the probability density of finding a particle at position x and moving along the direction v ̂ at time t , and numerically, by the use of Langevin dynamics simulations. The analysis is focused on the marginal probability density of finding a particle at a given location and at a given time (independently of its direction of motion), which is found from an infinite hierarchy of differential-recurrence relations for the coefficients that appear in the multipole expansion of the probability distribution, which contains the whole kinematic information. This approach allows the explicit calculation of the time dependence of the mean-squared displacement and the time dependence of the kurtosis of the marginal probability distribution, quantities from which the effective diffusion coefficient and the "shape" of the positions distribution are examined. Oscillations between two characteristic values were found in the time evolution of the kurtosis, namely, between the value that corresponds to a Gaussian and the one that corresponds to a distribution of spherical shell shape. In the case of an ensemble of particles, each one rotating around a uniformly distributed random axis, evidence is found of the so-called effect "anomalous, yet Brownian, diffusion," for which particles follow a non-Gaussian distribution for the positions yet the mean-squared displacement is a linear function of time.

Further Studies on Oceanic Biogeochemistry and Carbon Cycling

NASA Technical Reports Server (NTRS)

Signorini, S. R.; McClain, C. R.

2003-01-01

This TM consists of two chapters. Chapter I describes the development of a coupled, one-dimensional biogeochemical model using turbulence closure mixed layer (TCMLM) dynamics. The model is applied to the Sargasso Sea at the BATS (Bermuda Atlantic Time Series) site and the results are compared with a previous model study in the same region described in NASNTP-2001-209991. The use of the TCMLM contributed to some improvements in the model simulation of chlorophyll, PAR, nitrate, phosphate, and oxygen, but most importantly, the current model achieved good agreement with the data with much more realistic background eddy diffusivity. However, off-line calculations of horizontal transport of biogeochemical properties revealed that one-dimensional dynamics can only provide a limited assessment of the nutrient and carbon balances at BATS. Future studies in the BATS region will require comprehensive three-dimensional field studies, combined with three-dimensional eddy resolving numerical experiments, to adequately quantify the impact of the local and remote forcing on ecosystem dynamics and carbon cycling. Chapter II addresses the sensitivity of global sea-air CO, flux estimates to wind speed, temperature, and salinity. Sensitivity analyses of sea-air CO, flux to wind speed climatologies, gas transfer algorithms, SSS and SST were conducted for the global oceans and regional domains. Large uncertainties in the global sea-air flux are identified, primarily due to the different gas transfer algorithms used. The sensitivity of the sea-air flux to SST and SSS is similar in magnitude to the effect of using different wind climatologies. Globally, the mean ocean uptake of CO, changes by 5 to 16%, depending upon the combination of SST and SSS used.

Validation of a Three-Dimensional Method for Counting and Sizing Podocytes in Whole Glomeruli

PubMed Central

van der Wolde, James W.; Schulze, Keith E.; Short, Kieran M.; Wong, Milagros N.; Bensley, Jonathan G.; Cullen-McEwen, Luise A.; Caruana, Georgina; Hokke, Stacey N.; Li, Jinhua; Firth, Stephen D.; Harper, Ian S.; Nikolic-Paterson, David J.; Bertram, John F.

2016-01-01

Podocyte depletion is sufficient for the development of numerous glomerular diseases and can be absolute (loss of podocytes) or relative (reduced number of podocytes per volume of glomerulus). Commonly used methods to quantify podocyte depletion introduce bias, whereas gold standard stereologic methodologies are time consuming and impractical. We developed a novel approach for assessing podocyte depletion in whole glomeruli that combines immunofluorescence, optical clearing, confocal microscopy, and three-dimensional analysis. We validated this method in a transgenic mouse model of selective podocyte depletion, in which we determined dose-dependent alterations in several quantitative indices of podocyte depletion. This new approach provides a quantitative tool for the comprehensive and time-efficient analysis of podocyte depletion in whole glomeruli. PMID:26975438

Linear response approach to active Brownian particles in time-varying activity fields

NASA Astrophysics Data System (ADS)

Merlitz, Holger; Vuijk, Hidde D.; Brader, Joseph; Sharma, Abhinav; Sommer, Jens-Uwe

2018-05-01

In a theoretical and simulation study, active Brownian particles (ABPs) in three-dimensional bulk systems are exposed to time-varying sinusoidal activity waves that are running through the system. A linear response (Green-Kubo) formalism is applied to derive fully analytical expressions for the torque-free polarization profiles of non-interacting particles. The activity waves induce fluxes that strongly depend on the particle size and may be employed to de-mix mixtures of ABPs or to drive the particles into selected areas of the system. Three-dimensional Langevin dynamics simulations are carried out to verify the accuracy of the linear response formalism, which is shown to work best when the particles are small (i.e., highly Brownian) or operating at low activity levels.

A multiple-block multigrid method for the solution of the three-dimensional Euler and Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Atkins, Harold

1991-01-01

A multiple block multigrid method for the solution of the three dimensional Euler and Navier-Stokes equations is presented. The basic flow solver is a cell vertex method which employs central difference spatial approximations and Runge-Kutta time stepping. The use of local time stepping, implicit residual smoothing, multigrid techniques and variable coefficient numerical dissipation results in an efficient and robust scheme is discussed. The multiblock strategy places the block loop within the Runge-Kutta Loop such that accuracy and convergence are not affected by block boundaries. This has been verified by comparing the results of one and two block calculations in which the two block grid is generated by splitting the one block grid. Results are presented for both Euler and Navier-Stokes computations of wing/fuselage combinations.

Novel Three-Dimensional Interphase Characterisation of Polymer Nanocomposites Using Nanoscaled Topography.

PubMed

Mousa, Mohanad; Dong, Yu

2018-06-19

Mechanical properties of polymer nanocomposites depend primarily on nanointerphases as transitional zones between nanoparticles and surrounding matrices. Due to the difficulty in the quantitative characterisation of nanointerphases, previous literatures generally deemed such interphases as one-dimensional uniform zones around nanoparticles by assumption for analytical or theoretical modelling. We hereby have demonstrated for the first time direct three-dimensional topography and physical measurement of nanophase mechanical properties between nanodimeter bamboo charcoals (NBCs) and poly (vinyl alcohol) (PVA) in polymer nanocomposites. Topographical features, nanomechanical properties and dimensions of nanointerphases were systematically determined via peak force quantitative nanomechanical tapping mode (PFQNM). Significantly different mechanical properties of nanointerphases were revealed as opposed to those of individual NBCs and PVA matrices. Non-uniform irregular three-dimensional structures and shapes of nanointerphases are manifested around individual NBCs, which can be greatly influenced by nanoparticle size and roughness, and nanoparticle dispersion and distribution. Elastic moduli of nanointerphases were experimentally determined in range from 25.32 ±3.4 to 66.3±3.2 GPa. Additionally, it is clearly shown that the interphase modulus strongly depends on interphase surface area SAInterphase and interphase volume VInterphase. Different NBC distribution patterns from fully to partially embedded nanoparticles are proven to yield a remarkable reduction in elastic moduli of nanointerphases. © 2018 IOP Publishing Ltd.

Quantum Dynamics Scattering Study of AB+CDE Reactions: A Seven Dimensional Treatment for the H2+C2H Reaction

NASA Technical Reports Server (NTRS)

Wang, Dunyou

2003-01-01

A time-dependent wave-packet approach is presented for the quantum dynamics study of the AB+CDE reaction system for zero total angular momentum. A seven-degree-of-freedom calculation is employed to study the chemical reaction of H2+C2H yields H + C2H2 by treating C2H as a linear molecule. Initial state selected reaction probabilities are presented for various initial ro-vibrational states. This study shows that vibrational excitation of H2 enhances the reaction probability, whereas the excitation of C2H has only a small effect on the reactivity. An integral cross section is also reported for the initial ground states of H2 and C2H. The theoretical and experimental results agree with each other very well when the calculated seven dimensional results are adjusted to account for the lower transition state barrier heights found in recent ab initio calculations.

A new software for dimensional measurements in 3D endodontic root canal instrumentation.

PubMed

Sinibaldi, Raffaele; Pecci, Raffaella; Somma, Francesco; Della Penna, Stefania; Bedini, Rossella

2012-01-01

The main issue to be faced to get size estimates of 3D modification of the dental canal after endodontic treatment is the co-registration of the image stacks obtained through micro computed tomography (micro-CT) scans before and after treatment. Here quantitative analysis of micro-CT images have been performed by means of new dedicated software targeted to the analysis of root canal after endodontic instrumentation. This software analytically calculates the best superposition between the pre and post structures using the inertia tensor of the tooth. This strategy avoid minimization procedures, which can be user dependent, and time consuming. Once the co-registration have been achieved dimensional measurements have then been performed by contemporary evaluation of quantitative parameters over the two superimposed stacks of micro-CT images. The software automatically calculated the changes of volume, surface and symmetry axes in 3D occurring after the instrumentation. The calculation is based on direct comparison of the canal and canal branches selected by the user on the pre treatment image stack.

SUTRA: A model for 2D or 3D saturated-unsaturated, variable-density ground-water flow with solute or energy transport

USGS Publications Warehouse

Voss, Clifford I.; Provost, A.M.

2002-01-01

SUTRA (Saturated-Unsaturated Transport) is a computer program that simulates fluid movement and the transport of either energy or dissolved substances in a subsurface environment. This upgraded version of SUTRA adds the capability for three-dimensional simulation to the former code (Voss, 1984), which allowed only two-dimensional simulation. The code employs a two- or three-dimensional finite-element and finite-difference method to approximate the governing equations that describe the two interdependent processes that are simulated: 1) fluid density-dependent saturated or unsaturated ground-water flow; and 2) either (a) transport of a solute in the ground water, in which the solute may be subject to: equilibrium adsorption on the porous matrix, and both first-order and zero-order production or decay; or (b) transport of thermal energy in the ground water and solid matrix of the aquifer. SUTRA may also be used to simulate simpler subsets of the above processes. A flow-direction-dependent dispersion process for anisotropic media is also provided by the code and is introduced in this report. As the primary calculated result, SUTRA provides fluid pressures and either solute concentrations or temperatures, as they vary with time, everywhere in the simulated subsurface system. SUTRA flow simulation may be employed for two-dimensional (2D) areal, cross sectional and three-dimensional (3D) modeling of saturated ground-water flow systems, and for cross sectional and 3D modeling of unsaturated zone flow. Solute-transport simulation using SUTRA may be employed to model natural or man-induced chemical-species transport including processes of solute sorption, production, and decay. For example, it may be applied to analyze ground-water contaminant transport problems and aquifer restoration designs. In addition, solute-transport simulation with SUTRA may be used for modeling of variable-density leachate movement, and for cross sectional modeling of saltwater intrusion in aquifers at near-well or regional scales, with either dispersed or relatively sharp transition zones between freshwater and saltwater. SUTRA energy-transport simulation may be employed to model thermal regimes in aquifers, subsurface heat conduction, aquifer thermal-energy storage systems, geothermal reservoirs, thermal pollution of aquifers, and natural hydrogeologic convection systems. Mesh construction, which is quite flexible for arbitrary geometries, employs quadrilateral finite elements in 2D Cartesian or radial-cylindrical coordinate systems, and hexahedral finite elements in 3D systems. 3D meshes are currently restricted to be logically rectangular; in other words, they are similar to deformable finite-difference-style grids. Permeabilities may be anisotropic and may vary in both direction and magnitude throughout the system, as may most other aquifer and fluid properties. Boundary conditions, sources and sinks may be time dependent. A number of input data checks are made to verify the input data set. An option is available for storing intermediate results and restarting a simulation at the intermediate time. Output options include fluid velocities, fluid mass and solute mass or energy budgets, and time-varying observations at points in the system. Both the mathematical basis for SUTRA and the program structure are highly general, and are modularized to allow for straightforward addition of new methods or processes to the simulation. The FORTRAN-90 coding stresses clarity and modularity rather than efficiency, providing easy access for later modifications.

Bäcklund transformation, infinitely-many conservation laws, solitary and periodic waves of an extended (3 + 1)-dimensional Jimbo-Miwa equation with time-dependent coefficients

NASA Astrophysics Data System (ADS)

Deng, Gao-Fu; Gao, Yi-Tian; Gao, Xin-Yi

2018-07-01

In this paper, an extended (3+1)-dimensional Jimbo-Miwa equation with time-dependent coefficients is investigated, which comes from the second member of the Kadomtsev-Petviashvili hierarchy and is shown to be conditionally integrable. Bilinear form, Bäcklund transformation, Lax pair and infinitely-many conservation laws are derived via the binary Bell polynomials and symbolic computation. With the help of the bilinear form, one-, two- and three-soliton solutions are obtained via the Hirota method, one-periodic wave solutions are constructed via the Riemann theta function. Additionally, propagation and interaction of the solitons are investigated analytically and graphically, from which we find that the interaction between the solitons is elastic and the time-dependent coefficients can affect the soliton velocities, but the soliton amplitudes remain unchanged. One-periodic waves approach the one-solitary waves with the amplitudes vanishing and can be viewed as a superposition of the overlapping solitary waves, placed one period apart.

Critical insight into the influence of the potential energy surface on fission dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mazurek, K.; Grand Accelerateur National d'Ions Lourds; Schmitt, C.

The present work is dedicated to a careful investigation of the influence of the potential energy surface on the fission process. The time evolution of nuclei at high excitation energy and angular momentum is studied by means of three-dimensional Langevin calculations performed for two different parametrizations of the macroscopic potential: the Finite Range Liquid Drop Model (FRLDM) and the Lublin-Strasbourg Drop (LSD) prescription. Depending on the mass of the system, the topology of the potential throughout the deformation space of interest in fission is observed to noticeably differ within these two approaches, due to the treatment of curvature effects. Whenmore » utilized in the dynamical calculation as the driving potential, the FRLDM and LSD models yield similar results in the heavy-mass region, whereas the predictions can be strongly dependent on the Potential Energy Surface (PES) for medium-mass nuclei. In particular, the mass, charge, and total kinetic energy distributions of the fission fragments are found to be narrower with the LSD prescription. The influence of critical model parameters on our findings is carefully investigated. The present study sheds light on the experimental conditions and signatures well suited for constraining the parametrization of the macroscopic potential. Its implication regarding the interpretation of available experimental data is briefly discussed.« less

A PML-FDTD ALGORITHM FOR SIMULATING PLASMA-COVERED CAVITY-BACKED SLOT ANTENNAS. (R825225)

EPA Science Inventory

A three-dimensional frequency-dependent finite-difference time-domain (FDTD) algorithm with perfectly matched layer (PML) absorbing boundary condition (ABC) and recursive convolution approaches is developed to model plasma-covered open-ended waveguide or cavity-backed slot antenn...

Two-Dimensional Neutronic and Fuel Cycle Analysis of the Transatomic Power Molten Salt Reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Betzler, Benjamin R.; Powers, Jeffrey J.; Worrall, Andrew

2017-01-15

This status report presents the results from the first phase of the collaboration between Transatomic Power Corporation (TAP) and Oak Ridge National Laboratory (ORNL) to provide neutronic and fuel cycle analysis of the TAP core design through the Department of Energy Gateway for Accelerated Innovation in Nuclear, Nuclear Energy Voucher program. The TAP design is a molten salt reactor using movable moderator rods to shift the neutron spectrum in the core from mostly epithermal at beginning of life to thermal at end of life. Additional developments in the ChemTriton modeling and simulation tool provide the critical moderator-to-fuel ratio searches andmore » time-dependent parameters necessary to simulate the continuously changing physics in this complex system. Results from simulations with these tools show agreement with TAP-calculated performance metrics for core lifetime, discharge burnup, and salt volume fraction, verifying the viability of reducing actinide waste production with this design. Additional analyses of time step sizes, mass feed rates and enrichments, and isotopic removals provide additional information to make informed design decisions. This work further demonstrates capabilities of ORNL modeling and simulation tools for analysis of molten salt reactor designs and strongly positions this effort for the upcoming three-dimensional core analysis.« less

Ionospheric hot spot at high latitudes

NASA Technical Reports Server (NTRS)

Schunk, R. W.; Sojka, J. J.

1982-01-01

Schunk and Raitt (1980) and Sojka et al. (1981) have developed a model of the convecting high-latitude ionosphere in order to determine the extent to which various chemical and transport processes affect the ion composition and electron density at F-region altitudes. The numerical model produces time-dependent, three-dimensional ion density distributions for the ions NO(+), O2(+), N2(+), O(+), N(+), and He(+). Recently, the high-latitude ionospheric model has been improved by including thermal conduction and diffusion-thermal heat flow terms. Schunk and Sojka (1982) have studied the ion temperature variations in the daytime high-latitude F-region. In the present study, a time-dependent three-dimensional ion temperature distribution is obtained for the high-latitude ionosphere for an asymmetric convection electric field pattern with enhanced flow in the dusk sector of the polar region. It is shown that such a convection pattern produces a hot spot in the ion temperature distribution which coincides with the location of the strong convection cell.

PNS calculations for 3-D hypersonic corner flow with two turbulence models

NASA Technical Reports Server (NTRS)

Smith, Gregory E.; Liou, May-Fun; Benson, Thomas J.

1988-01-01

A three-dimensional parabolized Navier-Stokes code has been used as a testbed to investigate two turbulence models, the McDonald Camarata and Bushnell Beckwith model, in the hypersonic regime. The Bushnell Beckwith form factor correction to the McDonald Camarata mixing length model has been extended to three-dimensional flow by use of an inverse averaging of the resultant length scale contributions from each wall. Two-dimensional calculations are compared with experiment for Mach 18 helium flow over a 4-deg wedge. Corner flow calculations have been performed at Mach 11.8 for a Reynolds number of .67 x 10 to the 6th, based on the duct half-width, and a freestream stagnation temperature of 1750-deg Rankine.

Travel-time sensitivity kernels in long-range propagation.

PubMed

Skarsoulis, E K; Cornuelle, B D; Dzieciuch, M A

2009-11-01

Wave-theoretic travel-time sensitivity kernels (TSKs) are calculated in two-dimensional (2D) and three-dimensional (3D) environments and their behavior with increasing propagation range is studied and compared to that of ray-theoretic TSKs and corresponding Fresnel-volumes. The differences between the 2D and 3D TSKs average out when horizontal or cross-range marginals are considered, which indicates that they are not important in the case of range-independent sound-speed perturbations or perturbations of large scale compared to the lateral TSK extent. With increasing range, the wave-theoretic TSKs expand in the horizontal cross-range direction, their cross-range extent being comparable to that of the corresponding free-space Fresnel zone, whereas they remain bounded in the vertical. Vertical travel-time sensitivity kernels (VTSKs)-one-dimensional kernels describing the effect of horizontally uniform sound-speed changes on travel-times-are calculated analytically using a perturbation approach, and also numerically, as horizontal marginals of the corresponding TSKs. Good agreement between analytical and numerical VTSKs, as well as between 2D and 3D VTSKs, is found. As an alternative method to obtain wave-theoretic sensitivity kernels, the parabolic approximation is used; the resulting TSKs and VTSKs are in good agreement with normal-mode results. With increasing range, the wave-theoretic VTSKs approach the corresponding ray-theoretic sensitivity kernels.

Evolution of magnetic field and atmospheric response. I - Three-dimensional formulation by the method of projected characteristics. II - Formulation of proper boundary equations. [stellar magnetohydrodynamics

NASA Technical Reports Server (NTRS)

Nakagawa, Y.

1981-01-01

The method described as the method of nearcharacteristics by Nakagawa (1980) is renamed the method of projected characteristics. Making full use of properties of the projected characteristics, a new and simpler formulation is developed. As a result, the formulation for the examination of the general three-dimensional problems is presented. It is noted that since in practice numerical solutions must be obtained, the final formulation is given in the form of difference equations. The possibility of including effects of viscous and ohmic dissipations in the formulation is considered, and the physical interpretation is discussed. A systematic manner is then presented for deriving physically self-consistent, time-dependent boundary equations for MHD initial boundary problems. It is demonstrated that the full use of the compatibility equations (differential equations relating variations at two spatial locations and times) is required in determining the time-dependent boundary conditions. In order to provide a clear physical picture as an example, the evolution of axisymmetric global magnetic field by photospheric differential rotation is considered.

Statistical mechanics of light elements at high pressure. V Three-dimensional Thomas-Fermi-Dirac theory. [relevant to Jovian planetary interiors

NASA Technical Reports Server (NTRS)

Macfarlane, J. J.; Hubbard, W. B.

1983-01-01

A numerical technique for solving the Thomas-Fermi-Dirac (TED) equation in three dimensions, for an array of ions obeying periodic boundary conditions, is presented. The technique is then used to calculate deviations from ideal mixing for an alloy of hydrogen and helium at zero temperature and high presures. Results are compared with alternative models which apply perturbation theory to calculation of the electron distribution, based upon the assumption of weak response of the electron gas to the ions. The TFD theory, which permits strong electron response, always predicts smaller deviations from ideal mixing than would be predicted by perturbation theory. The results indicate that predicted phase separation curves for hydrogen-helium alloys under conditions prevailing in the metallic zones of Jupiter and Saturn are very model dependent.

Hydrogenic impurity bound polaron in an anisotropic quantum dot

NASA Astrophysics Data System (ADS)

Chen, Shi-Hua

2018-01-01

The effect of the electron-phonon interaction on an electron bound to a hydrogenic impurity in a three-dimensional (3D) anisotropic quantum dot (QD) is studied theoretically. We use the Landau-Pekar variational approach to calculate the binding energy of ground state (GS) and first-excited state (ES) with considering electron-phonon interaction. The expressions of the GS and ES energies under investigation depict a rich variety of dependent relationship with the variational parameters in three different limiting cases. Numerical calculations were performed for ZnSe QDs with different confinement lengths in the xy-plane and the z-direction, respectively. It is illustrated that binding energies of impurity polarons corresponding to each level are larger in small QDs. Furthermore, the contribution to binding energy from phonon is about 15% of the total binding energy.

Euler Calculations at Off-Design Conditions for an Inlet of Inward Turning RBCC-SSTO Vehicle

NASA Technical Reports Server (NTRS)

Takashima, N.; Kothari, A. P.

1998-01-01

The inviscid performance of an inward turning inlet design is calculated computationally for the first time. Hypersonic vehicle designs based on the inward turning inlets have been shown analytically to have increased effective specific impulse and lower heat load than comparably designed vehicles with two-dimensional inlets. The inward turning inlets are designed inversely from inviscid stream surfaces of known flow fields. The computational study is performed on a Mach 12 inlet design to validate the performance predicted by the design code (HAVDAC) and calculate its off-design Mach number performance. The three-dimensional Euler equations are solved for Mach 4, 8, and 12 using a software package called SAM, which consists of an unstructured mesh generator (SAMmesh), a three-dimensional unstructured mesh flow solver (SAMcfd), and a CAD-based software (SAMcad). The computed momentum averaged inlet throat pressure is within 6% of the design inlet throat pressure. The mass-flux at the inlet throat is also within 7 % of the value predicted by the design code thereby validating the accuracy of the design code. The off-design Mach number results show that flow spillage is minimal, and the variation in the mass capture ratio with Mach number is comparable to an ideal 2-D inlet. The results from the inviscid flow calculations of a Mach 12 inward turning inlet indicate that the inlet design has very good on and off-design performance which makes it a promising design candidate for future air-breathing hypersonic vehicles.

Computation for Electromigration in Interconnects of Microelectronic Devices

NASA Astrophysics Data System (ADS)

Averbuch, Amir; Israeli, Moshe; Ravve, Igor; Yavneh, Irad

2001-03-01

Reliability and performance of microelectronic devices depend to a large extent on the resistance of interconnect lines. Voids and cracks may occur in the interconnects, causing a severe increase in the total resistance and even open circuits. In this work we analyze void motion and evolution due to surface diffusion effects and applied external voltage. The interconnects under consideration are three-dimensional (sandwich) constructs made of a very thin metal film of possibly variable thickness attached to a substrate of nonvanishing conductance. A two-dimensional level set approach was applied to study the dynamics of the moving (assumed one-dimensional) boundary of a void in the metal film. The level set formulation of an electromigration and diffusion model results in a fourth-order nonlinear (two-dimensional) time-dependent PDE. This equation was discretized by finite differences on a regular grid in space and a Runge-Kutta integration scheme in time, and solved simultaneously with a second-order static elliptic PDE describing the electric potential distribution throughout the interconnect line. The well-posed three-dimensional problem for the potential was approximated via singular perturbations, in the limit of small aspect ratio, by a two-dimensional elliptic equation with variable coefficients describing the combined local conductivity of metal and substrate (which is allowed to vary in time and space). The difference scheme for the elliptic PDE was solved by a multigrid technique at each time step. Motion of voids in both weak and strong electric fields was examined, and different initial void configurations were considered, including circles, ellipses, polygons with rounded corners, a butterfly, and long grooves. Analysis of the void behavior and its influence on the resistance gives the circuit designer a tool for choosing the proper parameters of an interconnect (width-to-length ratio, properties of the line material, conductivity of the underlayer, etc.).