GPU-accelerated 3D neutron diffusion code based on finite difference method
Xu, Q.; Yu, G.; Wang, K.
2012-07-01
Finite difference method, as a traditional numerical solution to neutron diffusion equation, although considered simpler and more precise than the coarse mesh nodal methods, has a bottle neck to be widely applied caused by the huge memory and unendurable computation time it requires. In recent years, the concept of General-Purpose computation on GPUs has provided us with a powerful computational engine for scientific research. In this study, a GPU-Accelerated multi-group 3D neutron diffusion code based on finite difference method was developed. First, a clean-sheet neutron diffusion code (3DFD-CPU) was written in C++ on the CPU architecture, and later ported to GPUs under NVIDIA's CUDA platform (3DFD-GPU). The IAEA 3D PWR benchmark problem was calculated in the numerical test, where three different codes, including the original CPU-based sequential code, the HYPRE (High Performance Pre-conditioners)-based diffusion code and CITATION, were used as counterpoints to test the efficiency and accuracy of the GPU-based program. The results demonstrate both high efficiency and adequate accuracy of the GPU implementation for neutron diffusion equation. A speedup factor of about 46 times was obtained, using NVIDIA's Geforce GTX470 GPU card against a 2.50 GHz Intel Quad Q9300 CPU processor. Compared with the HYPRE-based code performing in parallel on an 8-core tower server, the speedup of about 2 still could be observed. More encouragingly, without any mathematical acceleration technology, the GPU implementation ran about 5 times faster than CITATION which was speeded up by using the SOR method and Chebyshev extrapolation technique. (authors)
Parareal in time 3D numerical solver for the LWR Benchmark neutron diffusion transient model
NASA Astrophysics Data System (ADS)
Baudron, Anne-Marie; Lautard, Jean-Jacques; Maday, Yvon; Riahi, Mohamed Kamel; Salomon, Julien
2014-12-01
In this paper we present a time-parallel algorithm for the 3D neutrons calculation of a transient model in a nuclear reactor core. The neutrons calculation consists in numerically solving the time dependent diffusion approximation equation, which is a simplified transport equation. The numerical resolution is done with finite elements method based on a tetrahedral meshing of the computational domain, representing the reactor core, and time discretization is achieved using a θ-scheme. The transient model presents moving control rods during the time of the reaction. Therefore, cross-sections (piecewise constants) are taken into account by interpolations with respect to the velocity of the control rods. The parallelism across the time is achieved by an adequate use of the parareal in time algorithm to the handled problem. This parallel method is a predictor corrector scheme that iteratively combines the use of two kinds of numerical propagators, one coarse and one fine. Our method is made efficient by means of a coarse solver defined with large time step and fixed position control rods model, while the fine propagator is assumed to be a high order numerical approximation of the full model. The parallel implementation of our method provides a good scalability of the algorithm. Numerical results show the efficiency of the parareal method on large light water reactor transient model corresponding to the Langenbuch-Maurer-Werner benchmark.
Parareal in time 3D numerical solver for the LWR Benchmark neutron diffusion transient model
Baudron, Anne-Marie; Riahi, Mohamed Kamel; Salomon, Julien
2014-12-15
In this paper we present a time-parallel algorithm for the 3D neutrons calculation of a transient model in a nuclear reactor core. The neutrons calculation consists in numerically solving the time dependent diffusion approximation equation, which is a simplified transport equation. The numerical resolution is done with finite elements method based on a tetrahedral meshing of the computational domain, representing the reactor core, and time discretization is achieved using a θ-scheme. The transient model presents moving control rods during the time of the reaction. Therefore, cross-sections (piecewise constants) are taken into account by interpolations with respect to the velocity of the control rods. The parallelism across the time is achieved by an adequate use of the parareal in time algorithm to the handled problem. This parallel method is a predictor corrector scheme that iteratively combines the use of two kinds of numerical propagators, one coarse and one fine. Our method is made efficient by means of a coarse solver defined with large time step and fixed position control rods model, while the fine propagator is assumed to be a high order numerical approximation of the full model. The parallel implementation of our method provides a good scalability of the algorithm. Numerical results show the efficiency of the parareal method on large light water reactor transient model corresponding to the Langenbuch–Maurer–Werner benchmark.
Lawrence, R.D.
1983-03-01
A nodal method is developed for the solution of the neutron-diffusion equation in two- and three-dimensional hexagonal geometries. The nodal scheme has been incorporated as an option in the finite-difference diffusion-theory code DIF3D, and is intended for use in the analysis of current LMFBR designs. The nodal equations are derived using higher-order polynomial approximations to the spatial dependence of the flux within the hexagonal-z node. The final equations, which are cast in the form of inhomogeneous response-matrix equations for each energy group, involved spatial moments of the node-interior flux distribution plus surface-averaged partial currents across the faces of the node. These equations are solved using a conventional fission-source iteration accelerated by coarse-mesh rebalance and asymptotic source extrapolation. This report describes the mathematical development and numerical solution of the nodal equations, as well as the use of the nodal option and details concerning its programming structure. This latter information is intended to supplement the information provided in the separate documentation of the DIF3D code.
3-D Deep Penetration Neutron Imaging of Thick Absorgin and Diffusive Objects Using Transport Theory
Ragusa, Jean; Bangerth, Wolfgang
2011-08-01
here explores the inverse problem of optical tomography applied to heterogeneous domains. The neutral particle transport equation was used as the forward model for how neutral particles stream through and interact within these heterogeneous domains. A constrained optimization technique that uses Newtons method served as the basis of the inverse problem. Optical tomography aims at reconstructing the material properties using (a) illuminating sources and (b) detector readings. However, accurate simulations for radiation transport require that the particle (gamma and/or neutron) energy be appropriate discretize in the multigroup approximation. This, in turns, yields optical tomography problems where the number of unknowns grows (1) about quadratically with respect to the number of energy groups, G, (notably to reconstruct the scattering matrix) and (2) linearly with respect to the number of unknown material regions. As pointed out, a promising approach could rely on algorithms to appropriately select a material type per material zone rather than G2 values. This approach, though promising, still requires further investigation: (a) when switching from cross-section values unknowns to material type indices (discrete integer unknowns), integer programming techniques are needed since derivative information is no longer available; and (b) the issue of selecting the initial material zoning remains. The work reported here proposes an approach to solve the latter item, whereby a material zoning is proposed using one-group or few-groups transport approximations. The capabilities and limitations of the presented method were explored; they are briefly summarized next and later described in fuller details in the Appendices. The major factors that influenced the ability of the optimization method to reconstruct the cross sections of these domains included the locations of the sources used to illuminate the domains, the number of separate experiments used in the reconstruction, the
Radiosity diffusion model in 3D
NASA Astrophysics Data System (ADS)
Riley, Jason D.; Arridge, Simon R.; Chrysanthou, Yiorgos; Dehghani, Hamid; Hillman, Elizabeth M. C.; Schweiger, Martin
2001-11-01
We present the Radiosity-Diffusion model in three dimensions(3D), as an extension to previous work in 2D. It is a method for handling non-scattering spaces in optically participating media. We present the extension of the model to 3D including an extension to the model to cope with increased complexity of the 3D domain. We show that in 3D more careful consideration must be given to the issues of meshing and visibility to model the transport of light within reasonable computational bounds. We demonstrate the model to be comparable to Monte-Carlo simulations for selected geometries, and show preliminary results of comparisons to measured time-resolved data acquired on resin phantoms.
3D Multigroup Sn Neutron Transport Code
Energy Science and Technology Software Center (ESTSC)
2001-02-14
ATTILA is a 3D multigroup transport code with arbitrary order ansotropic scatter. The transport equation is solved in first order form using a tri-linear discontinuous spatial differencing on an arbitrary tetrahedral mesh. The overall solution technique is source iteration with DSA acceleration of the scattering source. Anisotropic boundary and internal sources may be entered in the form of spherical harmonics moments. Alpha and k eigenvalue problems are allowed, as well as fixed source problems. Forwardmore » and adjoint solutions are available. Reflective, vacumn, and source boundary conditions are available. ATTILA can perform charged particle transport calculations using slowing down (CSD) terms. ATTILA can also be used to peform infra-red steady-state calculations for radiative transfer purposes.« less
3D Multigroup Sn Neutron Transport Code
McGee, John; Wareing, Todd; Pautz, Shawn
2001-02-14
ATTILA is a 3D multigroup transport code with arbitrary order ansotropic scatter. The transport equation is solved in first order form using a tri-linear discontinuous spatial differencing on an arbitrary tetrahedral mesh. The overall solution technique is source iteration with DSA acceleration of the scattering source. Anisotropic boundary and internal sources may be entered in the form of spherical harmonics moments. Alpha and k eigenvalue problems are allowed, as well as fixed source problems. Forward and adjoint solutions are available. Reflective, vacumn, and source boundary conditions are available. ATTILA can perform charged particle transport calculations using slowing down (CSD) terms. ATTILA can also be used to peform infra-red steady-state calculations for radiative transfer purposes.
Diffusion approximation for modeling of 3-D radiation distributions
Zardecki, A.; Gerstl, S.A.W.; De Kinder, R.E. Jr.
1985-01-01
A three-dimensional transport code DIF3D, based on the diffusion approximation, is used to model the spatial distribution of radiation energy arising from volumetric isotropic sources. Future work will be concerned with the determination of irradiances and modeling of realistic scenarios, relevant to the battlefield conditions. 8 refs., 4 figs.
3D imaging of neutron tracks using confocal microscopy
NASA Astrophysics Data System (ADS)
Gillmore, Gavin; Wertheim, David; Flowers, Alan
2016-04-01
Neutron detection and neutron flux assessment are important aspects in monitoring nuclear energy production. Neutron flux measurements can also provide information on potential biological damage from exposure. In addition to the applications for neutron measurement in nuclear energy, neutron detection has been proposed as a method of enhancing neutrino detectors and cosmic ray flux has also been assessed using ground-level neutron detectors. Solid State Nuclear Track Detectors (or SSNTDs) have been used extensively to examine cosmic rays, long-lived radioactive elements, radon concentrations in buildings and the age of geological samples. Passive SSNTDs consisting of a CR-39 plastic are commonly used to measure radon because they respond to incident charged particles such as alpha particles from radon gas in air. They have a large dynamic range and a linear flux response. We have previously applied confocal microscopy to obtain 3D images of alpha particle tracks in SSNTDs from radon track monitoring (1). As a charged particle traverses through the polymer it creates an ionisation trail along its path. The trail or track is normally enhanced by chemical etching to better expose radiation damage, as the damaged area is more sensitive to the etchant than the bulk material. Particle tracks in CR-39 are usually assessed using 2D optical microscopy. In this study 6 detectors were examined using an Olympus OLS4100 LEXT 3D laser scanning confocal microscope (Olympus Corporation, Japan). The detectors had been etched for 2 hours 50 minutes at 85 °C in 6.25M NaOH. Post etch the plastics had been treated with a 10 minute immersion in a 2% acetic acid stop bath, followed by rinsing in deionised water. The detectors examined had been irradiated with a 2mSv neutron dose from an Am(Be) neutron source (producing roughly 20 tracks per mm2). We were able to successfully acquire 3D images of neutron tracks in the detectors studied. The range of track diameter observed was between 4
CALTRANS: A parallel, deterministic, 3D neutronics code
Carson, L.; Ferguson, J.; Rogers, J.
1994-04-01
Our efforts to parallelize the deterministic solution of the neutron transport equation has culminated in a new neutronics code CALTRANS, which has full 3D capability. In this article, we describe the layout and algorithms of CALTRANS and present performance measurements of the code on a variety of platforms. Explicit implementation of the parallel algorithms of CALTRANS using both the function calls of the Parallel Virtual Machine software package (PVM 3.2) and the Meiko CS-2 tagged message passing library (based on the Intel NX/2 interface) are provided in appendices.
1,2,3-D Diffusion Depletion Multi-Group
Energy Science and Technology Software Center (ESTSC)
1992-04-20
CITATION is designed to solve problems using the finite difference representation of neutron diffusion theory, treating up to three space dimensions with arbitrary group to group scattering. X-y-z, theta-r-z, hexagonal z, and triagonal z geometries may be treated. Depletion problems may be solved and fuel managed for multi-cycle analysis. Extensive first order perturbation results may be obtained given microscopic data and nuclide concentrations. Statics problems may be solved and perturbation results obtained with microscopic data.
Solves the Multigroup Neutron Diffusion Equation
Energy Science and Technology Software Center (ESTSC)
1995-06-23
GNOMER is a program which solves the multigroup neutron diffusion equation in 1D, 2D and 3D cartesian geometry. The program is designed to calculate the global core power distributions (with thermohydraulic feedbacks), as well as power distribution and homogenized cross sections over a fuel assembly.
Interface requirements to couple thermal-hydraulic codes to 3D neutronic codes
Langenbuch, S.; Austregesilo, H.; Velkov, K.
1997-07-01
The present situation of thermalhydraulics codes and 3D neutronics codes is briefly described and general considerations for coupling of these codes are discussed. Two different basic approaches of coupling are identified and their relative advantages and disadvantages are discussed. The implementation of the coupling for 3D neutronics codes in the system ATHLET is presented. Meanwhile, this interface is used for coupling three different 3D neutronics codes.
Modeling the diffusion of phosphorus in silicon in 3-D
Baker, K.R.
1994-12-31
The use of matrix preconditioning in semiconductor process simulation is examined. The simplified nonlinear single-species model for the diffusion of phosphorus into silicon is considered. The experimental three-dimensional simulator, PEPPER3, which uses finite differences and the numerical method of lines to implement the reaction-diffusion equation is modified to allow NSPCG to be called to solve the linear system in the inner Newton loop. Use of NSPCG allowed various accelerators such as Generalized Minimal Residual (GMRES) and Conjugate Gradient (CG) to be used in conjunction with preconditioners such as Richardson, Jacobi, and Incomplete Cholesky.
Multigroup Complex Geometry Neutron Diffusion Code System.
Energy Science and Technology Software Center (ESTSC)
2002-12-18
Version 01 SNAP-3D is based on SNAP2 and is a one- two- or three-dimensional multigroup diffusion code system. It is primarily intended for neutron diffusion calculations, but it can also carry out gamma-ray calculations if the diffusion approximation is accurate enough. It is suitable for fast and thermal reactor core calculations and for shield calculations. SNAP-3D can solve the multi-group neutron diffusion equations using finite difference methods in (x,y,z), (r,theta,z), (TRI,z), (HEX,z) or (spherical) coordinates.more » The one-dimensional slab and cylindrical geometries and the two-dimensional (x,y), (r,z), (r,theta), (HEX) and (TRI) are all treated as simple special cases of three-dimensional geometries. Numerous reflective and periodic symmetry options are available and may be used to reduce the number of mesh points necessary to represent the system. Extrapolation lengths can be specified at internal and external boundaries. The problem classes are: 1) eigenvalue search for critical k-effective, 2) eigenvalue search for critical buckling, 3) eigenvalue search for critical time-constant, 4) fixed source problems in which the sources are functions of regions, 5) fixed source problems in which the sources are provided, on disc, for every mesh point and group.« less
NASA Astrophysics Data System (ADS)
Thomas, Justin W.
2006-12-01
The Numerical Nuclear Reactor (NNR) is a code suite that is being developed to provide high-fidelity multi-physics capability for the analysis of light water nuclear reactors. The focus of the work here is to extend the capability of the NNR by incorporation of the neutronics module, DeCART, for Boiling Water Reactor (BWR) applications. The DeCART code has been coupled to the NNR fluid mechanics and heat transfer module STAR-CD for light water reactor applications. The coupling has been accomplished via an interface program, which is responsible for mapping the STAR-CD and DeCART meshes, managing communication, and monitoring convergence. DeCART obtains the solution of the 3-D Boltzmann transport equation by performing a series of 2-D modular ray tracing-based method of characteristics problems that are coupled within the framework of 3-D coarse-mesh finite difference. The relatively complex geometry and increased axial heterogeneity found in BWRs are beyond the modeling capability of the original version of DeCART. In this work, DeCART is extended in three primary areas. First, the geometric capability is generalized by extending the modular ray tracing scheme and permitting an unstructured mesh in the global finite difference kernel. Second, numerical instabilities, which arose as a result of the severe axial heterogeneity found in BWR cores, have been resolved. Third, an advanced nodal method has been implemented to improve the accuracy of the axial flux distribution. In this semi-analytic nodal method, the analytic solution to the transverse-integrated neutron diffusion equation is obtained, where the nonhomogeneous neutron source was first approximated by a quartic polynomial. The successful completion of these three tasks has allowed the application of the coupled DeCART/STAR-CD code to practical BWR problems.
3D parameter reconstruction in hyperspectral diffuse optical tomography
NASA Astrophysics Data System (ADS)
Saibaba, Arvind K.; Krishnamurthy, Nishanth; Anderson, Pamela G.; Kainerstorfer, Jana M.; Sassaroli, Angelo; Miller, Eric L.; Fantini, Sergio; Kilmer, Misha E.
2015-03-01
The imaging of shape perturbation and chromophore concentration using Diffuse Optical Tomography (DOT) data can be mathematically described as an ill-posed and non-linear inverse problem. The reconstruction algorithm for hyperspectral data using a linearized Born model is prohibitively expensive, both in terms of computation and memory. We model the shape of the perturbation using parametric level-set approach (PaLS). We discuss novel computational strategies for reducing the computational cost based on a Krylov subspace approach for parameteric linear systems and a compression strategy for the parameter-to-observation map. We will demonstrate the validity of our approach by comparison with experiments.
Parallel deterministic neutronics with AMR in 3D
Clouse, C.; Ferguson, J.; Hendrickson, C.
1997-12-31
AMTRAN, a three dimensional Sn neutronics code with adaptive mesh refinement (AMR) has been parallelized over spatial domains and energy groups and runs on the Meiko CS-2 with MPI message passing. Block refined AMR is used with linear finite element representations for the fluxes, which allows for a straight forward interpretation of fluxes at block interfaces with zoning differences. The load balancing algorithm assumes 8 spatial domains, which minimizes idle time among processors.
3D shape measurements for non-diffusive objects using fringe projection techniques
NASA Astrophysics Data System (ADS)
Su, Wei-Hung; Tseng, Bae-Heng; Cheng, Nai-Jen
2013-09-01
A scanning approach using holographic techniques to perform the 3D shape measurement for a non-diffusive object is proposed. Even though the depth discontinuity on the inspected surface is pretty high, the proposed method can retrieve the 3D shape precisely.
A killer micro attack on 3D neutron transport
Dorr, M.R.; Ferguson, J.M.
1990-11-01
We describe the deterministic solution of the neutron transport equation and the computation of the effective criticality of three-dimensional assemblies using the BBN TC2000 killer micros. We observe that the performance of our research code PTRAN running on 48 processors of the TC2000 is competitive with the partially vectorizable version running on a single Cray Y/MP processor. This performance scales well with the number of processors on real problems, including those that are not load balanced a priori. To obtain this performance, we explicitly specify and exploit data locality and data dependence using domain decomposition and dynamic job scheduling. 3 refs., 4 figs., 2 tabs.
3D neutronic/thermal-hydraulic coupled analysis of MYRRHA
Vazquez, M.; Martin-Fuertes, F.
2012-07-01
The current tendency in multiphysics calculations applied to reactor physics is the use of already validated computer codes, coupled by means of an iterative approach. In this paper such an approach is explained concerning neutronics and thermal-hydraulics coupled analysis with MCNPX and COBRA-IV codes using a driver program and file exchange between codes. MCNPX provides the neutronic analysis of heterogeneous nuclear systems, both in critical and subcritical states, while COBRA-IV is a subchannel code that can be used for rod bundles or core thermal-hydraulics analysis. In our model, the MCNP temperature dependence of nuclear data is handled via pseudo-material approach, mixing pre-generated cross section data set to obtain the material with the desired cross section temperature. On the other hand, COBRA-IV has been updated to allow for the simulation of liquid metal cooled reactors. The coupled computational tool can be applied to any geometry and coolant, as it is the case of single fuel assembly, at pin-by-pin level, or full core simulation with the average pin of each fuel-assembly. The coupling tool has been applied to the critical core layout of the SCK-CEN MYRRHA concept, an experimental LBE cooled fast reactor presently in engineering design stage. (authors)
A killer micro attack on 3D neutron transport
Dorr, M.R.; Ferguson, J.M.
1990-11-16
In this paper, we describe the deterministic solution of the neutron transport equation and the computation of the effective criticality of three-dimensional assemblies using the BBN TC2000 killer micros. We observe that the performance of our research code PTRAN running on 48 processors of the TC2000 is competitive with the partially vectorizable version running on a single Cray Y/MP processor. This performance scales well with the number of processors on real problems, including those that are not load balanced a priori. To obtain this performance, we explicitly specify and exploit data locality and data dependence using domain decomposition and dynamic job scheduling. From the results obtained here, it appears that, at least for this application, a production machine based on the TC2000 architecture with more powerful processors and a commensurate increase in switch speed could yield a significant gain in our design capability. 2 refs., 5 figs., 2 tabs.
Intelligent speckle reducing anisotropic diffusion algorithm for automated 3-D ultrasound images.
Wu, Jun; Wang, Yuanyuan; Yu, Jinhua; Shi, Xinling; Zhang, Junhua; Chen, Yue; Pang, Yun
2015-02-01
A novel 3-D filtering method is presented for speckle reduction and detail preservation in automated 3-D ultrasound images. First, texture features of an image are analyzed by using the improved quadtree (QT) decomposition. Then, the optimal homogeneous and the obvious heterogeneous regions are selected from QT decomposition results. Finally, diffusion parameters and diffusion process are automatically decided based on the properties of these two selected regions. The computing time needed for 2-D speckle reduction is very short. However, the computing time required for 3-D speckle reduction is often hundreds of times longer than 2-D speckle reduction. This may limit its potential application in practice. Because this new filter can adaptively adjust the time step of iteration, the computation time is reduced effectively. Both synthetic and real 3-D ultrasound images are used to evaluate the proposed filter. It is shown that this filter is superior to other methods in both practicality and efficiency. PMID:26366596
Characterization of 3D and planar Si diodes with different neutron converter materials
NASA Astrophysics Data System (ADS)
Mendicino, R.; Boscardin, M.; Carturan, S.; Betta, G.-F. Dalla; Palma, M. Dalla; Maggioni, G.; Quaranta, A.; Ronchin, S.
2015-10-01
In this paper, we report on the characterization of silicon 3D and planar sensors, coupled with different neutron converter materials, such as 10B, B104 C and 6LiF, with different deposition thickness. Selected results from the electrical and functional characterization of the devices are shown and comparatively discussed with the aid of SRIM and Geant4 simulations. The limited neutron detection efficiency, on the order of ≃ 1% (planar) and ≃ 8% (3D) from simulations, is understood, and hints for the optimization of the devices have been derived.
FPGA-based real-time anisotropic diffusion filtering of 3D ultrasound images
NASA Astrophysics Data System (ADS)
Castro-Pareja, Carlos R.; Dandekar, Omkar S.; Shekhar, Raj
2005-02-01
Three-dimensional ultrasonic imaging, especially the emerging real-time version of it, is particularly valuable in medical applications such as echocardiography, obstetrics and surgical navigation. A known problem with ultrasound images is their high level of speckle noise. Anisotropic diffusion filtering has been shown to be effective in enhancing the visual quality of 3D ultrasound images and as preprocessing prior to advanced image processing. However, due to its arithmetic complexity and the sheer size of 3D ultrasound images, it is not possible to perform online, real-time anisotropic diffusion filtering using standard software implementations. We present an FPGA-based architecture that allows performing anisotropic diffusion filtering of 3D images at acquisition rates, thus enabling the use of this filtering technique in real-time applications, such as visualization, registration and volume rendering.
Neutron radiographic image restoration using BM3D frames and nonlinear variance stabilization
NASA Astrophysics Data System (ADS)
Shuang, Qiao; Wei-jing, Zhao; Jia-ning, Sun
2015-07-01
Neutron radiography is a powerful tool for non-destructive investigations in industrial applications. However, the resulting images are degraded inevitably due to some physical limitations. In this paper, we propose a new scheme for neutron image restoration, which utilizes BM3D frames and nonlinear variance stabilization including generalized anscombe transformation and its exact unbiased inverse. Experimental results show that superior to the existing restoration methods, the proposed scheme improves the restoration quality efficiently and exhibits better visual results.
2D/1D approximations to the 3D neutron transport equation. I: Theory
Kelley, B. W.; Larsen, E. W.
2013-07-01
A new class of '2D/1D' approximations is proposed for the 3D linear Boltzmann equation. These approximate equations preserve the exact transport physics in the radial directions x and y and diffusion physics in the axial direction z. Thus, the 2D/1D equations are more accurate approximations of the 3D Boltzmann equation than the conventional 3D diffusion equation. The 2D/1D equations can be systematically discretized, to yield accurate simulation methods for 3D reactor core problems. The resulting solutions will be more accurate than 3D diffusion solutions, and less expensive to generate than standard 3D transport solutions. In this paper, we (i) show that the simplest 2D/1D equation has certain desirable properties, (ii) systematically discretize this equation, and (iii) derive a stable iteration scheme for solving the discrete system of equations. In a companion paper [1], we give numerical results that confirm the theoretical predictions of accuracy and iterative stability. (authors)
Howison, Mark
2010-05-06
We compare the performance of hand-tuned CUDA implementations of bilateral and anisotropic diffusion filters for denoising 3D MRI datasets. Our tests sweep comparable parameters for the two filters and measure total runtime, memory bandwidth, computational throughput, and mean squared errors relative to a noiseless reference dataset.
An asymptotic homogenized neutron diffusion approximation. II. Numerical comparisons
Trahan, T. J.; Larsen, E. W.
2012-07-01
In a companion paper, a monoenergetic, homogenized, anisotropic diffusion equation is derived asymptotically for large, 3-D, multiplying systems with a periodic lattice structure [1]. In the present paper, this approximation is briefly compared to several other well known diffusion approximations. Although the derivation is different, the asymptotic diffusion approximation matches that proposed by Deniz and Gelbard, and is closely related to those proposed by Benoist. The focus of this paper, however, is a numerical comparison of the various methods for simple reactor analysis problems in 1-D. The comparisons show that the asymptotic diffusion approximation provides a more accurate estimate of the eigenvalue than the Benoist diffusion approximations. However, the Benoist diffusion approximations and the asymptotic diffusion approximation provide very similar estimates of the neutron flux. The asymptotic method and the Benoist methods both outperform the standard homogenized diffusion approximation, with flux weighted cross sections. (authors)
3D hydrodynamic interactions lead to divergences in 2D diffusion.
Bleibel, Johannes; Domínguez, Alvaro; Oettel, Martin
2015-05-20
We investigate the influence of 3D hydrodynamic interactions on confined colloidal suspensions, where only the colloids are restricted to one or two dimensions. In the absence of static interactions among the colloids, i.e., an ideal gas of colloidal particles with a finite hydrodynamic radius, we find a divergent collective diffusion coefficient. The origin of the divergence is traced back to the dimensional mismatch of 3D hydrodynamic interactions and the colloidal particles moving only in 1D or 2D. Our results from theory are confirmed by Stokesian dynamics simulations and supported by light scattering observational data for particles at a fluid interface. PMID:25923320
3D hydrodynamic interactions lead to divergences in 2D diffusion
NASA Astrophysics Data System (ADS)
Bleibel, Johannes; Domínguez, Alvaro; Oettel, Martin
2015-05-01
We investigate the influence of 3D hydrodynamic interactions on confined colloidal suspensions, where only the colloids are restricted to one or two dimensions. In the absence of static interactions among the colloids, i.e., an ideal gas of colloidal particles with a finite hydrodynamic radius, we find a divergent collective diffusion coefficient. The origin of the divergence is traced back to the dimensional mismatch of 3D hydrodynamic interactions and the colloidal particles moving only in 1D or 2D. Our results from theory are confirmed by Stokesian dynamics simulations and supported by light scattering observational data for particles at a fluid interface.
3D neutronic codes coupled with thermal-hydraulic system codes for PWR, and BWR and VVER reactors
Langenbuch, S.; Velkov, K.; Lizorkin, M.
1997-07-01
This paper describes the objectives of code development for coupling 3D neutronics codes with thermal-hydraulic system codes. The present status of coupling ATHLET with three 3D neutronics codes for VVER- and LWR-reactors is presented. After describing the basic features of the 3D neutronic codes BIPR-8 from Kurchatov-Institute, DYN3D from Research Center Rossendorf and QUABOX/CUBBOX from GRS, first applications of coupled codes for different transient and accident scenarios are presented. The need of further investigations is discussed.
NASA Astrophysics Data System (ADS)
Harvey, R. W.; Petrov, Yu. V.; Kinsey, J. E.; Liu, D.; Heidbrink, W. W.; Taylor, G.; Bonoli, P. T.
2014-10-01
Ion distribution function calculations with CQL3D have been substantially advanced through implementation of guiding-center-orbit-based Fokker-Planck Coefficients. The resulting finite-orbit-width (FOW) calculations are carried out with a fast CQL3D-Hybrid-FOW option, and in a slower but neoclassically complete (except no Er yet) CQL3D-FOW option. Good comparison between time-dependent Fast Ion Diagnostic FIDA, NPA, and neutron signals resulting from neutral beaminjection(NBI) and high harmonic fast wave (HHFW) power injected into the NSTX spherical tokamak have been simulated with the CQL3D-Hybrid-FOW, using only the FOW effects on QL diffusion, and particle losses, direct and CX. Comparisons are also made with recent CQL3D-FOW results, as well as between the original FIDA calculation code and a recent fortran version. Supported by USDOE Grants SC0006614, ER54744, and ER44649.
Neutron scattering signatures of the 3D hyperhoneycomb Kitaev quantum spin liquid
NASA Astrophysics Data System (ADS)
Smith, A.; Knolle, J.; Kovrizhin, D. L.; Chalker, J. T.; Moessner, R.
2015-11-01
Motivated by recent synthesis of the hyperhoneycomb material β -Li2IrO3 , we study the dynamical structure factor (DSF) of the corresponding 3D Kitaev quantum spin-liquid (QSL), whose fractionalized degrees of freedom are Majorana fermions and emergent flux loops. The properties of this 3D model are known to differ in important ways from those of its 2D counterpart—it has a finite-temperature phase transition, as well as distinct features in the Raman response. We show, however, that the qualitative behavior of the DSF is broadly dimension-independent. Characteristics of the 3D DSF include a response gap even in the gapless QSL phase and an energy dependence deriving from the Majorana fermion density of states. Since the majority of the response is from states containing a single Majorana excitation, our results suggest inelastic neutron scattering as the spectroscopy of choice to illuminate the physics of Majorana fermions in Kitaev QSLs.
Motion-induced phase error estimation and correction in 3D diffusion tensor imaging.
Van, Anh T; Hernando, Diego; Sutton, Bradley P
2011-11-01
A multishot data acquisition strategy is one way to mitigate B0 distortion and T2∗ blurring for high-resolution diffusion-weighted magnetic resonance imaging experiments. However, different object motions that take place during different shots cause phase inconsistencies in the data, leading to significant image artifacts. This work proposes a maximum likelihood estimation and k-space correction of motion-induced phase errors in 3D multishot diffusion tensor imaging. The proposed error estimation is robust, unbiased, and approaches the Cramer-Rao lower bound. For rigid body motion, the proposed correction effectively removes motion-induced phase errors regardless of the k-space trajectory used and gives comparable performance to the more computationally expensive 3D iterative nonlinear phase error correction method. The method has been extended to handle multichannel data collected using phased-array coils. Simulation and in vivo data are shown to demonstrate the performance of the method. PMID:21652284
Multilayer Spheroids To Quantify Drug Uptake and Diffusion in 3D
2015-01-01
There is a need for new quantitative in vitro models of drug uptake and diffusion to help assess drug toxicity/efficacy as well as new more predictive models for drug discovery. We report a three-dimensional (3D) multilayer spheroid model and a new algorithm to quantitatively study uptake and inward diffusion of fluorescent calcein via gap junction intercellular communication (GJIC). When incubated with calcein-AM, a substrate of the efflux transporter P-glycoprotein (Pgp), spheroids from a variety of cell types accumulated calcein over time. Accumulation decreased in spheroids overexpressing Pgp (HEK-MDR) and was increased in the presence of Pgp inhibitors (verapamil, loperamide, cyclosporin A). Inward diffusion of calcein was negligible in spheroids that lacked GJIC (OVCAR-3, SK-OV-3) and was reduced in the presence of an inhibitor of GJIC (carbenoxolone). In addition to inhibiting Pgp, verapamil and loperamide, but not cyclosporin A, inhibited inward diffusion of calcein, suggesting that they also inhibit GJIC. The dose response curves of verapamil’s inhibition of Pgp and GJIC were similar (IC50: 8 μM). The method is amenable to many different cell types and may serve as a quantitative 3D model that more accurately replicates in vivo barriers to drug uptake and diffusion. PMID:24641346
Planar Gradient Diffusion System to Investigate Chemotaxis in a 3D Collagen Matrix.
Stout, David A; Toyjanova, Jennet; Franck, Christian
2015-01-01
The importance of cell migration can be seen through the development of human life. When cells migrate, they generate forces and transfer these forces to their surrounding area, leading to cell movement and migration. In order to understand the mechanisms that can alter and/or affect cell migration, one can study these forces. In theory, understanding the fundamental mechanisms and forces underlying cell migration holds the promise of effective approaches for treating diseases and promoting cellular transplantation. Unfortunately, modern chemotaxis chambers that have been developed are usually restricted to two dimensions (2D) and have complex diffusion gradients that make the experiment difficult to interpret. To this end, we have developed, and describe in this paper, a direct-viewing chamber for chemotaxis studies, which allows one to overcome modern chemotaxis chamber obstacles able to measure cell forces and specific concentration within the chamber in a 3D environment to study cell 3D migration. More compelling, this approach allows one to successfully model diffusion through 3D collagen matrices and calculate the coefficient of diffusion of a chemoattractant through multiple different concentrations of collagen, while keeping the system simple and user friendly for traction force microscopy (TFM) and digital volume correlation (DVC) analysis. PMID:26131645
3D imaging using combined neutron-photon fan-beam tomography: A Monte Carlo study.
Hartman, J; Yazdanpanah, A Pour; Barzilov, A; Regentova, E
2016-05-01
The application of combined neutron-photon tomography for 3D imaging is examined using MCNP5 simulations for objects of simple shapes and different materials. Two-dimensional transmission projections were simulated for fan-beam scans using 2.5MeV deuterium-deuterium and 14MeV deuterium-tritium neutron sources, and high-energy X-ray sources, such as 1MeV, 6MeV and 9MeV. Photons enable assessment of electron density and related mass density, neutrons aid in estimating the product of density and material-specific microscopic cross section- the ratio between the two provides the composition, while CT allows shape evaluation. Using a developed imaging technique, objects and their material compositions have been visualized. PMID:26953978
3D MRI of non-Gaussian 3He gas diffusion in the rat lung
NASA Astrophysics Data System (ADS)
Jacob, Richard E.; Laicher, Gernot; Minard, Kevin R.
2007-10-01
In 3He magnetic resonance images of pulmonary air spaces, the confining architecture of the parenchymal tissue results in a non-Gaussian distribution of signal phase that non-exponentially attenuates image intensity as diffusion weighting is increased. Here, two approaches previously used for the analysis of non-Gaussian effects in the lung are compared and related using diffusion-weighted 3He MR images of mechanically ventilated rats. One approach is model-based and was presented by Yablonskiy et al., while the other approach utilizes the second order decay contribution that is predicted from the cumulant expansion theorem. Total lung coverage is achieved using a hybrid 3D pulse sequence that combines conventional phase encoding with sparse radial sampling for efficient gas usage. This enables the acquisition of nine 3D images using a total of only ˜1 L of hyperpolarized 3He gas. Diffusion weighting ranges from 0 s/cm 2 to 40 s/cm 2. Results show that the non-Gaussian effects of 3He gas diffusion in healthy rat lungs are directly attributed to the anisotropic geometry of lung microstructure as predicted by the Yablonskiy model, and that quantitative analysis over the entire lung can be reliably repeated in time-course studies of the same animal.
Proton exchange membrane micro fuel cells on 3D porous silicon gas diffusion layers
NASA Astrophysics Data System (ADS)
Kouassi, S.; Gautier, G.; Thery, J.; Desplobain, S.; Borella, M.; Ventura, L.; Laurent, J.-Y.
2012-10-01
Since the 90's, porous silicon has been studied and implemented in many devices, especially in MEMS technology. In this article, we present a new approach to build miniaturized proton exchange membrane micro-fuel cells using porous silicon as a hydrogen diffusion layer. In particular, we propose an innovative process to build micro fuel cells from a “corrugated iron like” 3D structured porous silicon substrates. This structure is able to increase up to 40% the cell area keeping a constant footprint on the silicon wafer. We propose here a process route to perform electrochemically 3D porous gas diffusion layers and to deposit fuel cell active layers on such substrates. The prototype peak power performance was measured to be 90 mW cm-2 in a “breathing configuration” at room temperature. These performances are less than expected if we compare with a reference 2D micro fuel cell. Actually, the active layer deposition processes are not fully optimized but this prototype demonstrates the feasibility of these 3D devices.
Fractality in the neuron axonal topography of the human brain based on 3-D diffusion MRI
NASA Astrophysics Data System (ADS)
Katsaloulis, P.; Ghosh, A.; Philippe, A. C.; Provata, A.; Deriche, R.
2012-05-01
In this work the fractal architecture of the neuron axonal topography of the human brain is evaluated, as derived from 3-D diffusion MRI (dMRI) acquisitions. This is a 3D extension of work performed previously in 2D regions of interest (ROIs), where the fractal dimension of the neuron axonal topography was computed from dMRI data. A group study with 18 subjects is here conducted and the fractal dimensions D f of the entire 3-D volume of the brains is estimated via the box counting, the correlation dimension and the fractal mass dimension methods. The neuron axon data is obtained using tractography algorithms on diffusion tensor imaging of the brain. We find that all three calculations of D f give consistent results across subjects, namely, they demonstrate fractal characteristics in the short and medium length scales: different fractal exponents prevail at different length scales, an indication of multifractality. We surmise that this complexity stems as a collective property emerging when many local brain units, performing different functional tasks and having different local topologies, are recorded together.
An example of neutronic penalizations in reactivity transient analysis using 3D coupled chain HEMERA
Dubois, F.; Normand, B.; Sargeni, A.
2012-07-01
HEMERA (Highly Evolutionary Methods for Extensive Reactor Analyses), is a fully coupled 3D computational chain developed jointly by IRSN and CEA. It is composed of CRONOS2 (core neutronics, cross sections library from APOLLO2), FLICA4 (core thermal-hydraulics) and the system code CATHARE. Multi-level and multi-dimensional models are developed to account for neutronics, core thermal-hydraulics, fuel thermal analysis and system thermal-hydraulics, dedicated to best-estimate, conservative simulations and sensitivity analysis. In IRSN, the HEMERA chain is widely used to study several types of reactivity accidents and for sensitivity studies. Just as an example of the HEMERA possibilities, we present here two types of neutronic penalizations and their impact on a power transient due to a REA (Rod Ejection Accident): in the first one, we studied a bum-up distribution modification and in the second one, a delayed-neutron fraction modification. Both modifications are applied to the whole core or localized in a few assemblies. Results show that it is possible to use global or local changes but 1) in case of bum-up modification, the total core power can increase when assembly peak power decrease so, care has to be taken if the goal is to maximize a local power peak and 2) for delayed-neutron fraction, a local modification can have the same effect as the one on the whole core, provided that it is large enough. (authors)
Double depth-enhanced 3D integral imaging in projection-type system without diffuser
NASA Astrophysics Data System (ADS)
Zhang, Lei; Jiao, Xiao-xue; Sun, Yu; Xie, Yan; Liu, Shao-peng
2015-05-01
Integral imaging is a three dimensional (3D) display technology without any additional equipment. A new system is proposed in this paper which consists of the elemental images of real images in real mode (RIRM) and the ones of virtual images in real mode (VIRM). The real images in real mode are the same as the conventional integral images. The virtual images in real mode are obtained by changing the coordinates of the corresponding points in elemental images which can be reconstructed by the lens array in virtual space. In order to reduce the spot size of the reconstructed images, the diffuser in conventional integral imaging is given up in the proposed method. Then the spot size is nearly 1/20 of that in the conventional system. And an optical integral imaging system is constructed to confirm that our proposed method opens a new way for the application of the passive 3D display technology.
Parametric estimation of 3D tubular structures for diffuse optical tomography
Larusson, Fridrik; Anderson, Pamela G.; Rosenberg, Elizabeth; Kilmer, Misha E.; Sassaroli, Angelo; Fantini, Sergio; Miller, Eric L.
2013-01-01
We explore the use of diffuse optical tomography (DOT) for the recovery of 3D tubular shapes representing vascular structures in breast tissue. Using a parametric level set method (PaLS) our method incorporates the connectedness of vascular structures in breast tissue to reconstruct shape and absorption values from severely limited data sets. The approach is based on a decomposition of the unknown structure into a series of two dimensional slices. Using a simplified physical model that ignores 3D effects of the complete structure, we develop a novel inter-slice regularization strategy to obtain global regularity. We report on simulated and experimental reconstructions using realistic optical contrasts where our method provides a more accurate estimate compared to an unregularized approach and a pixel based reconstruction. PMID:23411913
Schilling, Kurt; Janve, Vaibhav; Gao, Yurui; Stepniewska, Iwona; Landman, Bennett A; Anderson, Adam W
2016-04-01
The ability of diffusion MRI (dMRI) fiber tractography to non-invasively map three-dimensional (3D) anatomical networks in the human brain has made it a valuable tool in both clinical and research settings. However, there are many assumptions inherent to any tractography algorithm that can limit the accuracy of the reconstructed fiber tracts. Among them is the assumption that the diffusion-weighted images accurately reflect the underlying fiber orientation distribution (FOD) in the MRI voxel. Consequently, validating dMRI's ability to assess the underlying fiber orientation in each voxel is critical for its use as a biomedical tool. Here, using post-mortem histology and confocal microscopy, we present a method to perform histological validation of orientation functions in 3D, which has previously been limited to two-dimensional analysis of tissue sections. We demonstrate the ability to extract the 3D FOD from confocal z-stacks, and quantify the agreement between the MRI estimates of orientation information obtained using constrained spherical deconvolution (CSD) and the true geometry of the fibers. We find an orientation error of approximately 6° in voxels containing nearly parallel fibers, and 10-11° in crossing fiber regions, and note that CSD was unable to resolve fibers crossing at angles below 60° in our dataset. This is the first time that the 3D white matter orientation distribution is calculated from histology and compared to dMRI. Thus, this technique serves as a gold standard for dMRI validation studies - providing the ability to determine the extent to which the dMRI signal is consistent with the histological FOD, and to establish how well different dMRI models can predict the ground truth FOD. PMID:26804781
BioFVM: an efficient, parallelized diffusive transport solver for 3-D biological simulations
Ghaffarizadeh, Ahmadreza; Friedman, Samuel H.; Macklin, Paul
2016-01-01
Motivation: Computational models of multicellular systems require solving systems of PDEs for release, uptake, decay and diffusion of multiple substrates in 3D, particularly when incorporating the impact of drugs, growth substrates and signaling factors on cell receptors and subcellular systems biology. Results: We introduce BioFVM, a diffusive transport solver tailored to biological problems. BioFVM can simulate release and uptake of many substrates by cell and bulk sources, diffusion and decay in large 3D domains. It has been parallelized with OpenMP, allowing efficient simulations on desktop workstations or single supercomputer nodes. The code is stable even for large time steps, with linear computational cost scalings. Solutions are first-order accurate in time and second-order accurate in space. The code can be run by itself or as part of a larger simulator. Availability and implementation: BioFVM is written in C ++ with parallelization in OpenMP. It is maintained and available for download at http://BioFVM.MathCancer.org and http://BioFVM.sf.net under the Apache License (v2.0). Contact: paul.macklin@usc.edu. Supplementary information: Supplementary data are available at Bioinformatics online. PMID:26656933
3D MHD Simulations of accreting neutron stars: evidence of QPO emission from the surface
Bachetti, Matteo; Burderi, Luciano; Romanova, Marina M.; Kulkarni, Akshay; Salvo, Tiziana di
2010-07-15
3D Magnetohydrodynamic simulations show that when matter accretes onto neutron stars, in particular if the misalignment angle is small, it does not constantly fall at a fixed spot. Instead, the location at which matter reaches the star moves. These moving hot spots can be produced both during stable accretion, where matter falls near the magnetic poles of the star, and unstable accretion, characterized by the presence of several tongues of matter which fall on the star near the equator, due to Rayleigh-Taylor instabilities. Precise modeling with Monte Carlo simulations shows that those movements could be observed as high frequency Quasi Periodic Oscillations. We performed a number of new simulation runs with a much wider set of parameters, focusing on neutron stars with a small misalignment angle. In most cases we observe oscillations whose frequency is correlated with the mass accretion rate M. Moreover, in some cases double QPOs appear, each of them showing the same correlation with M.
A 3-D multiband closure for radiation and neutron transfer moment models
Ripoll, J.-F. Wray, A.A.
2008-02-01
We derive a 3D multi-band moment model and its associated closure for radiation and neutron transfer. The new closure is analytical and nonlinear but very simple. Its derivation is based on the maximum entropy closure and assumes a Wien shape for the intensity when used in the Eddington tensor. In the multi-band approach, the opacity is re-arranged (binned) according to the opacity value. The multi-band model propagates identically all photons/neutrons having the same opacity. This has been found to be a good approximation on average since the transport is mostly determined by the opacities and less by the frequencies. This same concept is used to derive the closure. We prove on two complex test atmospheres (the solar atmosphere and an artificial atmosphere) that the closure we have derived has good accuracy. All approximations made in deriving the model have been carefully numerically checked and quantified.
Frank, Lawrence R.; Jung, Youngkyoo; Inati, Souheil; Tyszka, J. Michael; Wong, Eric C.
2009-01-01
We present an acquisition and reconstruction method designed to acquire high resolution 3D fast spin echo diffusion tensor images while mitigating the major sources of artifacts in DTI - field distortions, eddy currents and motion. The resulting images, being 3D, are of high SNR, and being fast spin echoes, exhibit greatly reduced field distortions. This sequence utilizes variable density spiral acquisition gradients, which allow for the implementation of a self-navigation scheme by which both eddy current and motion artifacts are removed. The result is that high resolution 3D DTI images are produced without the need for eddy current compensating gradients or B0 field correction. In addition, a novel method for fast and accurate reconstruction of the non-Cartesian data is employed. Results are demonstrated in the brains of normal human volunteers. PMID:19778618
Diffuse reflectance optical topography: location of inclusions in 3D and detectability limits
Carbone, N. A.; Baez, G. R.; García, H. A.; Waks Serra, M. V.; Di Rocco, H. O.; Iriarte, D. I.; Pomarico, J. A.; Grosenick, D.; Macdonald, R.
2014-01-01
In the present contribution we investigate the images of CW diffusely reflected light for a point-like source, registered by a CCD camera imaging a turbid medium containing an absorbing lesion. We show that detection of μa variations (absorption anomalies) is achieved if images are normalized to background intensity. A theoretical analysis based on the diffusion approximation is presented to investigate the sensitivity and the limitations of our proposal and a novel procedure to find the location of the inclusions in 3D is given and tested. An analysis of the noise and its influence on the detection capabilities of our proposal is provided. Experimental results on phantoms are also given, supporting the proposed approach. PMID:24876999
Fast and Robust Sixth Order Multigrid Computation for 3D Convection Diffusion Equation.
Wang, Yin; Zhang, Jun
2010-10-15
We present a sixth order explicit compact finite difference scheme to solve the three dimensional (3D) convection diffusion equation. We first use multiscale multigrid method to solve the linear systems arising from a 19-point fourth order discretization scheme to compute the fourth order solutions on both the coarse grid and the fine grid. Then an operator based interpolation scheme combined with an extrapolation technique is used to approximate the sixth order accurate solution on the fine grid. Since the multigrid method using a standard point relaxation smoother may fail to achieve the optimal grid independent convergence rate for solving convection diffusion equation with a high Reynolds number, we implement the plane relaxation smoother in the multigrid solver to achieve better grid independency. Supporting numerical results are presented to demonstrate the efficiency and accuracy of the sixth order compact scheme (SOC), compared with the previously published fourth order compact scheme (FOC). PMID:21151737
Ex Vivo 3D Diffusion Tensor Imaging and Quantification of Cardiac Laminar Structure
Helm, Patrick A.; Tseng, Hsiang-Jer; Younes, Laurent; McVeigh, Elliot R.; Winslow, Raimond L.
2007-01-01
A three-dimensional (3D) diffusion-weighted imaging (DWI) method for measuring cardiac fiber structure at high spatial resolution is presented. The method was applied to the ex vivo reconstruction of the fiber architecture of seven canine hearts. A novel hypothesis-testing method was developed and used to show that distinct populations of secondary and tertiary eigenvalues may be distinguished at reasonable confidence levels (P ≤ 0.01) within the canine ventricle. Fiber inclination and sheet angles are reported as a function of transmural depth through the anterior, lateral, and posterior left ventricle (LV) free wall. Within anisotropic regions, two consistent and dominant orientations were identified, supporting published results from histological studies and providing strong evidence that the tertiary eigenvector of the diffusion tensor (DT) defines the sheet normal. PMID:16149057
Kafieh, Raheleh; Rabbani, Hossein; Abramoff, Michael D.; Sonka, Milan
2013-01-01
Optical coherence tomography (OCT) is a powerful and noninvasive method for retinal imaging. In this paper, we introduce a fast segmentation method based on a new variant of spectral graph theory named diffusion maps. The research is performed on spectral domain (SD) OCT images depicting macular and optic nerve head appearance. The presented approach does not require edge-based image information in localizing most of boundaries and relies on regional image texture. Consequently, the proposed method demonstrates robustness in situations of low image contrast or poor layer-to-layer image gradients. Diffusion mapping applied to 2D and 3D OCT datasets is composed of two steps, one for partitioning the data into important and less important sections, and another one for localization of internal layers. In the first step, the pixels/voxels are grouped in rectangular/cubic sets to form a graph node. The weights of the graph are calculated based on geometric distances between pixels/voxels and differences of their mean intensity. The first diffusion map clusters the data into three parts, the second of which is the area of interest. The other two sections are eliminated from the remaining calculations. In the second step, the remaining area is subjected to another diffusion map assessment and the internal layers are localized based on their textural similarities. The proposed method was tested on 23 datasets from two patient groups (glaucoma and normals). The mean unsigned border positioning errors (mean ± SD) was 8.52 ± 3.13 and 7.56 ± 2.95 μm for the 2D and 3D methods, respectively. PMID:23837966
3D reconstruction of carbon nanotube networks from neutron scattering experiments
NASA Astrophysics Data System (ADS)
Mahdavi, Mostafa; Baniassadi, Majid; Baghani, Mostafa; Dadmun, Mark; Tehrani, Mehran
2015-09-01
Structure reconstruction from statistical descriptors, such as scattering data obtained using x-rays or neutrons, is essential in understanding various properties of nanocomposites. Scattering based reconstruction can provide a realistic model, over various length scales, that can be used for numerical simulations. In this study, 3D reconstruction of a highly loaded carbon nanotube (CNT)-conducting polymer system based on small and ultra-small angle neutron scattering (SANS and USANS, respectively) data was performed. These light-weight and flexible materials have recently shown great promise for high-performance thermoelectric energy conversion, and their further improvement requires a thorough understanding of their structure-property relationships. The first step in achieving such understanding is to generate models that contain the hierarchy of CNT networks over nano and micron scales. The studied system is a single walled carbon nanotube (SWCNT)/poly (3,4-ethylenedioxythiophene):poly (styrene sulfonate) (PEDOT:PSS). SANS and USANS patterns of the different samples containing 10, 30, and 50 wt% SWCNTs were measured. These curves were then utilized to calculate statistical two-point correlation functions of the nanostructure. These functions along with the geometrical information extracted from SANS data and scanning electron microscopy images were used to reconstruct a representative volume element (RVE) nanostructure. Generated RVEs can be used for simulations of various mechanical and physical properties. This work, therefore, introduces a framework for the reconstruction of 3D RVEs of high volume faction nanocomposites containing high aspect ratio fillers from scattering experiments.
3D modeling for solving forward model of no-contact fluorescence diffuse optical tomography method
NASA Astrophysics Data System (ADS)
Nouizi, F.; Chabrier, R.; Torregrossa, M.; Poulet, P.
2009-07-01
This paper presents detailed computational aspects of a new 3D modeling for solving the direct problem in a no-contact time-resolved Fluorescent Diffuse Optical Tomography (FDOT) method that rely on near-infrared scattered and fluorescent photons to image the optical properties and distribution of fluorescent probes in small laboratory animals. An optical scanner allowing performing in-vivo measurements in no-contact scheme was built in our laboratory and is presented. We use the three-dimensional Finite Element Method (FEM) to solve the coupled diffusion equations of excitation and fluorescence photons in highly scattering objects. The computed results allowed yielding photon density maps and the temporal profiles of photons on the surface of the small animal. Our 3D modeling of propagation of photons in the void space between the surface of the object and the detectors allows calculating the quantity of photons reaching the optodes. Simulations were carried-out on two test objects: a resin cylinder and a mouse phantom. The results demonstrate the potential applications of the method to pre-clinical imaging.
3D choroid neovascularization growth prediction based on reaction-diffusion model
NASA Astrophysics Data System (ADS)
Zhu, Shuxia; Chen, Xinjian; Shi, Fei; Xiang, Dehui; Zhu, Weifang; Chen, Haoyu
2016-03-01
Choroid neovascularization (CNV) is a kind of pathology from the choroid and CNV-related disease is one important cause of vision loss. It is desirable to predict the CNV growth rate so that appropriate treatment can be planned. In this paper, we seek to find a method to predict the growth of CNV based on 3D longitudinal Optical Coherence Tomography (OCT) images. A reaction-diffusion model is proposed for prediction. The method consists of four phases: pre-processing, meshing, CNV growth modeling and prediction. We not only apply the reaction-diffusion model to the disease region, but also take the surrounding tissues into consideration including outer retinal layer, inner retinal layer and choroid layer. The diffusion in these tissues is considered as isotropic. The finite-element-method (FEM) is used to solve the partial differential equations (PDE) in the diffusion model. The curve of CNV growth with treatment are fitted and then we can predict the CNV status in a future time point. The preliminary results demonstrated that our proposed method is accurate and the validity and feasibility of our model is obvious.
Confocal fluorometer for diffusion tracking in 3D engineered tissue constructs
NASA Astrophysics Data System (ADS)
Daly, D.; Zilioli, A.; Tan, N.; Buttenschoen, K.; Chikkanna, B.; Reynolds, J.; Marsden, B.; Hughes, C.
2016-03-01
We present results of the development of a non-contacting instrument, called fScan, based on scanning confocal fluorometry for assessing the diffusion of materials through a tissue matrix. There are many areas in healthcare diagnostics and screening where it is now widely accepted that the need for new quantitative monitoring technologies is a major pinch point in patient diagnostics and in vitro testing. With the increasing need to interpret 3D responses this commonly involves the need to track the diffusion of compounds, pharma-active species and cells through a 3D matrix of tissue. Methods are available but to support the advances that are currently only promised, this monitoring needs to be real-time, non-invasive, and economical. At the moment commercial meters tend to be invasive and usually require a sample of the medium to be removed and processed prior to testing. This methodology clearly has a number of significant disadvantages. fScan combines a fiber based optical arrangement with a compact, free space optical front end that has been integrated so that the sample's diffusion can be measured without interference. This architecture is particularly important due to the "wet" nature of the samples. fScan is designed to measure constructs located within standard well plates and a 2-D motion stage locates the required sample with respect to the measurement system. Results are presented that show how the meter has been used to evaluate movements of samples through collagen constructs in situ without disturbing their kinetic characteristics. These kinetics were little understood prior to these measurements.
1,2 or 3-D Few-Group Diffusion Depletion
Energy Science and Technology Software Center (ESTSC)
1982-12-01
The PDQ series of programs is designed to solve the neutron diffusion-depletion problem in one, two or three dimensions. The three-dimensional spatial calculation may be either explicit or discontinuous trial function synthesis. Up to five lethargy groups are permitted. Adjoint, fixed source, one iteration, additive fixed source, eigenvalue, and boundary value calculations may be performed. The programs utilize the HARMONY system for time-dependent representation of cross section variation and generalized depletion chain solutions. Geometries availablemore » include rectangular, cylindrical, spherical, and hexagonal. All allow variable mesh in all dimensions. Various control searches as well as temperature and xenon feedback are provided.« less
Sensitivity of an asymmetric 3D diffuser to vortex-generator induced inlet condition perturbations
NASA Astrophysics Data System (ADS)
Grundmann, S.; Sayles, E. L.; Elkins, Christopher J.; Eaton, J. K.
2012-01-01
Modifications of the turbulent separated flow in an asymmetric three-dimensional diffuser due to inlet condition perturbations were investigated using conventional static pressure measurements and velocity data acquired using magnetic resonance velocimetry (MRV). Previous experiments and simulations revealed a strong sensitivity of the diffuser performance to weak secondary flows in the inlet. The present, more detailed experiments were conducted to obtain a better understanding of this sensitivity. Pressure data were acquired in an airflow apparatus at an inlet Reynolds number of 10,000. The diffuser pressure recovery was strongly affected by a pair of longitudinal vortices injected along one wall of the inlet channel using either dielectric barrier discharge plasma actuators or conventional half-delta wing vortex generators. MRV measurements were obtained in a water flow apparatus at matched Reynolds number for two different cases with passive vortex generators. The first case had a pair of counter-rotating longitudinal vortices embedded in the boundary layer near the center of the expanding wall of the diffuser such that the flow on the outsides of the vortices was directed toward the wall. The MRV data showed that the three-dimensional separation bubble initially grew much slower causing a rapid early reduction in the core flow velocity and a consequent reduction of total pressure losses due to turbulent mixing. This produced a 13% increase in the overall pressure recovery. For the second case, the vortices rotated in the opposite sense, and the image vortices pushed them into the corners. This led to a very rapid initial growth of the separation bubble and formation of strong swirl at the diffuser exit. These changes resulted in a 17% reduction in the overall pressure recovery for this case. The results emphasize the extreme sensitivity of 3D separated flows to weak perturbations.
Energy Science and Technology Software Center (ESTSC)
2013-06-24
Version 07 TART2012 is a coupled neutron-photon Monte Carlo transport code designed to use three-dimensional (3-D) combinatorial geometry. Neutron and/or photon sources as well as neutron induced photon production can be tracked. It is a complete system to assist you with input preparation, running Monte Carlo calculations, and analysis of output results. TART2012 is also incredibly FAST; if you have used similar codes, you will be amazed at how fast this code is compared tomore » other similar codes. Use of the entire system can save you a great deal of time and energy. TART2012 extends the general utility of the code to even more areas of application than available in previous releases by concentrating on improving the physics, particularly with regard to improved treatment of neutron fission, resonance self-shielding, molecular binding, and extending input options used by the code. Several utilities are included for creating input files and displaying TART results and data. TART2012 uses the latest ENDF/B-VI, Release 8, data. New for TART2012 is the use of continuous energy neutron cross sections, in addition to its traditional multigroup cross sections. For neutron interaction, the data are derived using ENDF-ENDL2005 and include both continuous energy cross sections and 700 group neutron data derived using a combination of ENDF/B-VI, Release 8, and ENDL data. The 700 group structure extends from 10-5 eV up to 1 GeV. Presently nuclear data are only available up to 20 MeV, so that only 616 of the groups are currently used. For photon interaction, 701 point photon data were derived using the Livermore EPDL97 file. The new 701 point structure extends from 100 eV up to 1 GeV, and is currently used over this entire energy range. TART2012 completely supersedes all older versions of TART, and it is strongly recommended that one use only the most recent version of TART2012 and its data files. Check authors homepage for related information: http
NASA Astrophysics Data System (ADS)
Yu, Jhao-Ming; Chen, Liang-Yu; Pan, Min-Cheng; Hsu, Ya-Fen; Pan, Min-Chun
2015-03-01
Diffuse optical imaging (DOI) providing functional information of tissues has drawn great attention for the last two decades. Near infrared (NIR) DOI systems composed of scanning bench, opt-electrical measurement module, system control, and data processing and image reconstruction schemes are developed for the screening and diagnosis of breast tumors. Mostly, the scanning bench belonging to fixed source-and-detector configuration limits computed image resolution to an extent. To cope with the issue, we propose, design and implement a 3D prostrate ring-scanning equipment for NIR DOI with flexible combinations of illumination and detection, and with the function of radial, circular and vertical movement without hard compression of breast tissue like the imaging system using or incorporating with X-ray mammographic bench. Especially, a rotation-sliding-and-moving mechanism was designed for the guidance of source- and detection-channel movement. Following the previous justification for synthesized image reconstruction, in the paper the validation using varied phantoms is further conducted and 3D image reconstruction for their absorption and scattering coefficients is illustrated through the computation of our in-house coded schemes. The source and detection NIR data are acquired to reconstruct the 3D images through the operation of scanning bench in the movement of vertical, radial and circular directions. Rather than the fixed configuration, the addressed screening/diagnosing equipment has the flexibility for optical-channel expansion with a compromise among construction cost, operation time, and spatial resolution of reconstructed μa and μs' images.
Description of a parallel, 3D, finite element, hydrodynamics-diffusion code
Milovich, J L; Prasad, M K; Shestakov, A I
1999-04-11
We describe a parallel, 3D, unstructured grid finite element, hydrodynamic diffusion code for inertial confinement fusion (ICF) applications and the ancillary software used to run it. The code system is divided into two entities, a controller and a stand-alone physics code. The code system may reside on different computers; the controller on the user's workstation and the physics code on a supercomputer. The physics code is composed of separate hydrodynamic, equation-of-state, laser energy deposition, heat conduction, and radiation transport packages and is parallelized for distributed memory architectures. For parallelization, a SPMD model is adopted; the domain is decomposed into a disjoint collection of subdomains, one per processing element (PE). The PEs communicate using MPI. The code is used to simulate the hydrodynamic implosion of a spherical bubble.
Dynamic Implicit 3D Adaptive Mesh Refinement for Non-Equilibrium Radiation Diffusion
Philip, Bobby; Wang, Zhen; Berrill, Mark A; Rodriguez Rodriguez, Manuel; Pernice, Michael
2014-01-01
The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multiphysics systems: implicit time integration for efficient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent linear solver convergence.
A CNN-based approach to integrate the 3-D turbolent diffusion equation
NASA Astrophysics Data System (ADS)
Nunnari, G.
2003-04-01
The paper deals with the integration of the 3-D turbulent diffusion equation. This problem is relevant in several application fields including fluid dynamics, air/water pollution, volcanic ash emissions and industrial hazard assessment. As it is well known numerical solution of such a kind of equation is very time consuming even by using modern digital computers and this represents a short-coming for on-line applications. To overcome this drawback a Cellular Neural Network Approach is proposed in this paper. CNN's proposed by Chua and Yang in 1988 are massive parallel analog non-linear circuits with local interconnections between the computing elements that allow very fast distributed computations. Nowadays several producers of semiconductors such as SGS-Thomson are producing on chip CNN's so that their massive use for heavy computing applications is expected in the near future. In the paper the methodological background of the proposed approach will be outlined. Further some results both in terms of accuracy and computation time will be presented also in comparison with traditional three-dimensional computation schemes. Some results obtained to model 3-D pollution problems in the industrial area of Siracusa (Italy), characterised by a large concentration of petrol-chemical plants, will be presented.
PFLOW: A 3-D Numerical Modeling Tool for Calculating Fluid-Pressure Diffusion from Coulomb Strain
NASA Astrophysics Data System (ADS)
Wolf, L. W.; Lee, M.; Meir, A.; Dyer, G.; Ma, K.; Chan, C.
2009-12-01
A new 3D time-dependent pore-pressure diffusion model PFLOW is developed to investigate the response of pore fluids to the crustal deformation generated by strong earthquakes in heterogeneous geologic media. Given crustal strain generated by changes in Coulomb stress, this MATLAB-based code uses Skempton's coefficient to calculate resulting changes fluid pressure. Pore-pressure diffusion can be tracked over time in a user-defined model space with user-prescribed Neumann or Dirchilet boundary conditions and with spatially variable values of permeability. PFLOW employs linear or quadratic finite elements for spatial discretization and first order or second order, explicit or implicit finite difference discretization in time. PFLOW is easily interfaced with output from deformation modeling programs such as Coulomb (Toda et al., 2007) or 3D-DEF (Gomberg and Ellis, 1994). The code is useful for investigating to first-order the evolution of pore pressure changes induced by changes in Coulomb stress and their possible relation to water-level changes in wells or changes in stream discharge. It can also be used for student research and classroom instruction. As an example application, we calculate the coseismic pore pressure changes and diffusion induced by volumetric strain associated with the 1999 Chi-Chi earthquake (Mw = 7.6) in Taiwan. The Chi-Chi earthquake provides an unique opportunity to investigate the spatial and time-dependent poroelastic response of near-field rocks and sediments because there exist extensive observational data of water-level changes and crustal deformation. The integrated model allows us to explore whether changes in Coulomb stress can adequately explain hydrologic anomalies observed in areas such as Taiwan’s western foothills and the Choshui River alluvial plain. To calculate coseismic strain, we use the carefully calibrated finite fault-rupture model of Ma et al. (2005) and the deformation modeling code Coulomb 3.1 (Toda et al., 2007
3D Neutron Transport PWR Full-core Calculation with RMC code
NASA Astrophysics Data System (ADS)
Qiu, Yishu; She, Ding; Fan, Xiao; Wang, Kan; Li, Zeguang; Liang, Jingang; Leroyer, Hadrien
2014-06-01
Nowadays, there are more and more interests in the use of Monte Carlo codes to calculate the detailed power density distributions in full-core reactors. With the Inspur TS1000 HPC Server of Tsinghua University, several calculations have been done based on the EDF 3D Neutron Transport PWR Full-core benchmark through large-scale parallelism. To investigate and compare the results of the deterministic method and Monte Carlo method, EDF R&D and Department of Engineering Physics of Tsinghua University are having a collaboration to make code to code verification. So in this paper, two codes are used. One is the code COCAGNE developed by the EDF R&D, a deterministic core code, and the other is the Monte Carlo code RMC developed by Department of Engineering Physics in Tsinghua University. First, the full-core model is described and a 26-group calculation was performed by these two codes using the same 26-group cross-section library provided by EDF R&D. Then the parallel and tally performance of RMC is discussed. RMC employs a novel algorithm which can cut down most of the communications. It can be seen clearly that the speedup ratio almost linearly increases with the nodes. Furthermore the cell-mapping method applied by RMC consumes little time to tally even millions of cells. The results of the codes COCAGNE and RMC are compared in three ways. The results of these two codes agree well with each other. It can be concluded that both COCAGNE and RMC are able to provide 3D-transport solutions associated with detailed power density distributions calculation in PWR full-core reactors. Finally, to investigate how many histories are needed to obtain a given standard deviation for a full 3D solution, the non-symmetrized condensed 2-group fluxes of RMC are discussed.
Development and preliminary verification of the 3D core neutronic code: COCO
Lu, H.; Mo, K.; Li, W.; Bai, N.; Li, J.
2012-07-01
As the recent blooming economic growth and following environmental concerns (China)) is proactively pushing forward nuclear power development and encouraging the tapping of clean energy. Under this situation, CGNPC, as one of the largest energy enterprises in China, is planning to develop its own nuclear related technology in order to support more and more nuclear plants either under construction or being operation. This paper introduces the recent progress in software development for CGNPC. The focus is placed on the physical models and preliminary verification results during the recent development of the 3D Core Neutronic Code: COCO. In the COCO code, the non-linear Green's function method is employed to calculate the neutron flux. In order to use the discontinuity factor, the Neumann (second kind) boundary condition is utilized in the Green's function nodal method. Additionally, the COCO code also includes the necessary physical models, e.g. single-channel thermal-hydraulic module, burnup module, pin power reconstruction module and cross-section interpolation module. The preliminary verification result shows that the COCO code is sufficient for reactor core design and analysis for pressurized water reactor (PWR). (authors)
Mapping the holes: 3D ISM maps and diffuse X-ray background
NASA Astrophysics Data System (ADS)
Lallement, R.; Vergely, J.-L.; Puspitarini, L.; Snowden, S.; Galeazzi, M.; Koutroumpa, D.
3D maps of Galactic interstellar dust and gas reveal empty regions, including cavities carved by stellar winds and supernovae. Such cavities are often filled with hot gas and are sources of soft X-ray background emission. We discuss the combined analysis of the diffuse soft (0.25 keV) X-ray background and the 3D distribution of nearby (<1 kpc) dust, including studies of shadows cast by nearby clouds in the background. This analysis benefits from recent progress in the estimate of the foreground X-ray emission from the heliosphere. New and past X-ray data are found to be consistent with the maps if the ≃ 100-150 pc wide Local Bubble surrounding the Sun is filled with 106K gas with a pressure 2nT ≃ 10,000 K cm-3. On the other hand, the giant cavity found in the 3rd Galactic quadrant has a weaker volume emission than the LB and is very likely filled to a large extent with warm ionized gas. Its geometry suggests a link with the tilted Gould belt, and a potential mechanism for the formation of the whole structure has been recently proposed. According to it, the local inclination of gas and stars, the velocity pattern and enhanced star formation could have been initiated 60-70 Myr ago when a massive globular cluster crossed the Galactic Plane in the vicinity of the Sun. The destabilization of stellar orbits around the Sun may have generated enhanced asteroid falls of the Cretaceous-Tertiary (KT) extinction events. Additionally, a short gamma ray burst may have occurred in the cluster during the crossing, producing intense ionization and subsequent shock waves leading to the star formations seen today in the form of the giant ionized region and OB associations at its periphery. Gaia measurements of nearby stars and clusters should help shedding light on the local history.
Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion
B. Philip; Z. Wang; M.A. Berrill; M. Birke; M. Pernice
2014-04-01
The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton–Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.
Sizable electron/neutron electric dipole moment in D 3 /D 7 μ -split supersymmetry
NASA Astrophysics Data System (ADS)
Dhuria, Mansi; Misra, Aalok
2014-10-01
0-32) cm from a one-loop diagram involving a heavy chargino and a light Higgs as propagators in the loop. The neutron EDM gets a dominant contribution of the order dn/e ≡O (1 0-33) cm from the one-loop diagram involving SM-like quarks and Higgs. To justify the possibility of obtaining a large EDM value in the case of a Barr-Zee diagram which involves W± and the Higgs (responsible to generate the nontrivial C P -violating phase) in the two-loop diagrams as discussed by Leigh et al. [Nucl. Phys. B267, 509 (1986)], we provide an analysis of the same in the context of our D 3 /D 7 μ -split SUSY model at the EW scale. By conjecturing that the C P -violating phase can appear from the diagonalization of the Higgs mass matrix obtained in the context of μ -split SUSY, we also get an EDM of the electron/neutron around O (1 0-27) e cm in the case of the two-loop diagram involving W± bosons.
Doblhoff-Dier, Katharina; Meyer, Jörg; Hoggan, Philip E; Kroes, Geert-Jan; Wagner, Lucas K
2016-06-14
Transition metals and transition metal compounds are important to catalysis, photochemistry, and many superconducting systems. We study the performance of diffusion Monte Carlo (DMC) applied to transition metal containing dimers (TMCDs) using single-determinant Slater-Jastrow trial wavefunctions and investigate the possible influence of the locality and pseudopotential errors. We find that the locality approximation can introduce nonsystematic errors of up to several tens of kilocalories per mole in the absolute energy of Cu and CuH if Ar or Mg core pseudopotentials (PPs) are used for the 3d transition metal atoms. Even for energy differences such as binding energies, errors due to the locality approximation can be problematic if chemical accuracy is sought. The use of the Ne core PPs developed by Burkatzki et al. (J. Chem. Phys. 2008, 129, 164115), the use of linear energy minimization rather than unreweighted variance minimization for the optimization of the Jastrow function, and the use of large Jastrow parametrizations reduce the locality errors. In the second section of this article, we study the general performance of DMC for 3d TMCDs using a database of binding energies of 20 TMCDs, for which comparatively accurate experimental data is available. Comparing our DMC results to these data for our results that compare best with experiment, we find a mean unsigned error (MUE) of 4.5 kcal/mol. This compares well with the achievable accuracy in CCSDT(2)Q (MUE = 4.6 kcal/mol) and the best all-electron DFT results (MUE = 4.5 kcal/mol) for the same set of systems (Truhlar et al. J. Chem. Theory Comput. 2015, 11, 2036-2052). The mean errors in DMC depend less on the exchange-correlation functionals used to generate the trial wavefunction than the corresponding mean errors in the underlying DFT calculations. Furthermore, the QMC results obtained for each molecule individually vary less with the functionals used. These observations are relevant for systems such as
Multigroup 3-Dimensional Neutron Diffusion Nodal Code System with Thermohydraulic Feedbacks.
Energy Science and Technology Software Center (ESTSC)
1994-02-07
Version 01 GNOMER is a program which solves the multigroup neutron diffusion equation on coarse mesh in 1D, 2D, and 3D Cartesian geometry. The program is designed to calculate the global core power distributions (with thermohydraulic feedbacks) as well as power distributions and homogenized cross sections over a fuel assembly.
Study of a non-diffusing radiochromic gel dosimeter for 3D radiation dose imaging
NASA Astrophysics Data System (ADS)
Marsden, Craig Michael
2000-12-01
This thesis investigates the potential of a new radiation gel dosimeter, based on nitro-blue tetrazolium (NBTZ) suspended in a gelatin mold. Unlike all Fricke based gel dosimeters this dosimeter does not suffer from diffusive loss of image stability. Images are obtained by an optical tomography method. Nitro blue tetrazolium is a common biological indicator that when irradiated in an aqueous medium undergoes reduction to a highly colored formazan, which has an absorbance maximum at 525nm. Tetrazolium is water soluble while the formazan product is insoluble. The formazan product sticks to the gelatin matrix and the dose image is maintained for three months. Methods to maximize the sensitivity of the system were evaluated. It was found that a chemical detergent, Triton X-100, in combination with sodium formate, increased the dosimeter sensitivity significantly. An initial G-value of formazan production for a dosimeter composed of 1mM NBTZ, gelatin, and water was on the order of 0.2. The addition of Triton and formate produced a G-value in excess of 5.0. The effects of NBTZ, triton, formate, and gel concentration were all investigated. All the gels provided linear dose vs. absorbance plots for doses from 0 to >100 Gy. It was determined that gel concentration had minimal if any effect on sensitivity. Sensitivity increased slightly with increasing NBTZ concentration. Triton and formate individually and together provided moderate to large increases in dosimeter sensitivity. The dosimeter described in this work can provide stable 3D radiation dose images for all modalities of radiation therapy equipment. Methods to increase sensitivity are developed and discussed.
A remark on the Beale-Kato-Majda criterion for the 3D MHD equations with zero magnetic diffusivity
NASA Astrophysics Data System (ADS)
Gala, Sadek; Ragusa, Maria Alessandra
2016-06-01
In this work, we show that a smooth solution of the 3D MHD equations with zero magnetic diffusivity in the whole space ℝ3 breaks down if and only if a certain norm of the magnetic field blows up at the same time.
3D Neutronic Analysis in MHD Calculations at ARIES-ST Fusion Reactors Systems
NASA Astrophysics Data System (ADS)
Hançerliogulları, Aybaba; Cini, Mesut
2013-10-01
In this study, we developed new models for liquid wall (FW) state at ARIES-ST fusion reactor systems. ARIES-ST is a 1,000 MWe fusion reactor system based on a low aspect ratio ST plasma. In this article, we analyzed the characteristic properties of magnetohydrodynamics (MHD) and heat transfer conditions by using Monte-Carlo simulation methods (ARIES Team et al. in Fusion Eng Des 49-50:689-695, 2000; Tillack et al. in Fusion Eng Des 65:215-261, 2003) . In fusion applications, liquid metals are traditionally considered to be the best working fluids. The working liquid must be a lithium-containing medium in order to provide adequate tritium that the plasma is self-sustained and that the fusion is a renewable energy source. As for Flibe free surface flows, the MHD effects caused by interaction with the mean flow is negligible, while a fairly uniform flow of thick can be maintained throughout the reactor based on 3-D MHD calculations. In this study, neutronic parameters, that is to say, energy multiplication factor radiation, heat flux and fissile fuel breeding were researched for fusion reactor with various thorium and uranium molten salts. Sufficient tritium amount is needed for the reactor to work itself. In the tritium breeding ratio (TBR) >1.05 ARIES-ST fusion model TBR is >1.1 so that tritium self-sufficiency is maintained for DT fusion systems (Starke et al. in Fusion Energ Des 84:1794-1798, 2009; Najmabadi et al. in Fusion Energ Des 80:3-23, 2006).
Diffusive heat blanketing envelopes of neutron stars
NASA Astrophysics Data System (ADS)
Beznogov, M. V.; Potekhin, A. Y.; Yakovlev, D. G.
2016-06-01
We construct new models of outer heat blanketing envelopes of neutron stars composed of binary ion mixtures (H-He, He-C, C-Fe) in and out of diffusive equilibrium. To this aim, we generalize our previous work on diffusion of ions in isothermal gaseous or Coulomb liquid plasmas to handle non-isothermal systems. We calculate the relations between the effective surface temperature Ts and the temperature Tb at the bottom of heat blanketing envelopes (at a density ρb ˜ 108 - 1010 g cm-3) for diffusively equilibrated and non-equilibrated distributions of ion species at different masses ΔM of lighter ions in the envelope. Our principal result is that the Ts-Tb relations are fairly insensitive to detailed distribution of ion fractions over the envelope (diffusively equilibrated or not) and depend almost solely on ΔM. The obtained relations are approximated by analytic expressions which are convenient for modelling the evolution of neutron stars.
NASA Astrophysics Data System (ADS)
Newton, W. G.; Stone, J. R.; Mezzacappa, A.
2006-09-01
First results from a fully self-consistent, temperature-dependent equation of state that spans the density range of neutron stars and supernova cores above neutron drip density are presented. The equation of state (EoS) is calculated using a mean-field Hartree-Fock method in three dimensions (3D). The nuclear interaction is represented by the phenomenological Skyrme model in this work, but the EoS can be obtained in our framework for any suitable form of the nucleon-nucleon effective interaction. The scheme we employ naturally allows effects such as (i) neutron drip, which results in an external neutron gas, (ii) the variety of exotic nuclear shapes expected for extremely neutron heavy nuclei, and (iii) the subsequent dissolution of these nuclei into nuclear matter. In this way, the equation of state is calculated across phase transitions without recourse to interpolation techniques between density regimes described by different physical models. EoS tables are calculated in the wide range of densities, temperature and proton/neutron ratios on the ORNL NCCS XT3, using up to 2000 processors simultaneously.
NASA Astrophysics Data System (ADS)
Guardiola, C.; Gómez, F.; Fleta, C.; Rodríguez, J.; Quirion, D.; Pellegrini, G.; Lousa, A.; Martínez-de-Olcoz, L.; Pombar, M.; Lozano, M.
2013-05-01
The accurate detection and dosimetry of neutrons in mixed and pulsed radiation fields is a demanding instrumental issue with great interest both for the industrial and medical communities. In recent studies of neutron contamination around medical linacs, there is a growing concern about the secondary cancer risk for radiotherapy patients undergoing treatment in photon modalities at energies greater than 6 MV. In this work we present a promising alternative to standard detectors with an active method to measure neutrons around a medical linac using a novel ultra-thin silicon detector with 3D electrodes adapted for neutron detection. The active volume of this planar device is only 10 µm thick, allowing a high gamma rejection, which is necessary to discriminate the neutron signal in the radiotherapy peripheral radiation field with a high gamma background. Different tests have been performed in a clinical facility using a Siemens PRIMUS linac at 6 and 15 MV. The results show a good thermal neutron detection efficiency around 2% and a high gamma rejection factor.
Estimating anisotropic diffusion of neutrons near the boundary of a pebble bed random system
Vasques, R.
2013-07-01
Due to the arrangement of the pebbles in a Pebble Bed Reactor (PBR) core, if a neutron is located close to a boundary wall, its path length probability distribution function in directions of flight parallel to the wall is significantly different than in other directions. Hence, anisotropic diffusion of neutrons near the boundaries arises. We describe an analysis of neutron transport in a simplified 3-D pebble bed random system, in which we investigate the anisotropic diffusion of neutrons born near one of the system's boundary walls. While this simplified system does not model the actual physical process that takes place near the boundaries of a PBR core, the present work paves the road to a formulation that may enable more accurate diffusion simulations of such problems to be performed in the future. Monte Carlo codes have been developed for (i) deriving realizations of the 3-D random system, and (ii) performing 3-D neutron transport inside the heterogeneous model; numerical results are presented for three different choices of parameters. These numerical results are used to assess the accuracy of estimates for the mean-squared displacement of neutrons obtained with the diffusion approximations of the Atomic Mix Model and of the recently introduced [1] Non-Classical Theory with angular-dependent path length distribution. The Non-Classical Theory makes use of a Generalized Linear Boltzmann Equation in which the locations of the scattering centers in the system are correlated and the distance to collision is not exponentially distributed. We show that the results predicted using the Non-Classical Theory successfully model the anisotropic behavior of the neutrons in the random system, and more closely agree with experiment than the results predicted by the Atomic Mix Model. (authors)
Fogtmann, Mads; Seshamani, Sharmishtaa; Kroenke, Christopher; Cheng, Xi; Chapman, Teresa; Wilm, Jakob; Rousseau, François
2014-01-01
This paper presents an approach to 3-D diffusion tensor image (DTI) reconstruction from multi-slice diffusion weighted (DW) magnetic resonance imaging acquisitions of the moving fetal brain. Motion scatters the slice measurements in the spatial and spherical diffusion domain with respect to the underlying anatomy. Previous image registration techniques have been described to estimate the between slice fetal head motion, allowing the reconstruction of 3-D a diffusion estimate on a regular grid using interpolation. We propose Approach to Unified Diffusion Sensitive Slice Alignment and Reconstruction (AUDiSSAR) that explicitly formulates a process for diffusion direction sensitive DW-slice-to-DTI-volume alignment. This also incorporates image resolution modeling to iteratively deconvolve the effects of the imaging point spread function using the multiple views provided by thick slices acquired in different anatomical planes. The algorithm is implemented using a multi-resolution iterative scheme and multiple real and synthetic data are used to evaluate the performance of the technique. An accuracy experiment using synthetically created motion data of an adult head and a experiment using synthetic motion added to sedated fetal monkey dataset show a significant improvement in motion-trajectory estimation compared to a state-of-the-art approaches. The performance of the method is then evaluated on challenging but clinically typical in utero fetal scans of four different human cases, showing improved rendition of cortical anatomy and extraction of white matter tracts. While the experimental work focuses on DTI reconstruction (second-order tensor model), the proposed reconstruction framework can employ any 5-D diffusion volume model that can be represented by the spatial parameterizations of an orientation distribution function. PMID:24108711
A fully implicit method for 3D quasi-steady state magnetic advection-diffusion.
Siefert, Christopher; Robinson, Allen Conrad
2009-09-01
We describe the implementation of a prototype fully implicit method for solving three-dimensional quasi-steady state magnetic advection-diffusion problems. This method allows us to solve the magnetic advection diffusion equations in an Eulerian frame with a fixed, user-prescribed velocity field. We have verified the correctness of method and implementation on two standard verification problems, the Solberg-White magnetic shear problem and the Perry-Jones-White rotating cylinder problem.
3D thermal modeling of TRISO fuel coupled with neutronic simulation
Hu, Jianwei; Uddin, Rizwan
2010-01-01
The Very High Temperature Gas Reactor (VHTR) is widely considered as one of the top candidates identified in the Next Generation Nuclear Power-plant (NGNP) Technology Roadmap under the U.S . Depanment of Energy's Generation IV program. TRlSO particle is a common element among different VHTR designs and its performance is critical to the safety and reliability of the whole reactor. A TRISO particle experiences complex thermo-mechanical changes during reactor operation in high temperature and high burnup conditions. TRISO fuel performance analysis requires evaluation of these changes on micro scale. Since most of these changes are temperature dependent, 3D thermal modeling of TRISO fuel is a crucial step of the whole analysis package. In this paper, a 3D numerical thermal model was developed to calculate temperature distribution inside TRISO and pebble under different scenarios. 3D simulation is required because pebbles or TRISOs are always subjected to asymmetric thermal conditions since they are randomly packed together. The numerical model was developed using finite difference method and it was benchmarked against ID analytical results and also results reported from literature. Monte-Carlo models were set up to calculate radial power density profile. Complex convective boundary condition was applied on the pebble outer surface. Three reactors were simulated using this model to calculate temperature distribution under different power levels. Two asymmetric boundary conditions were applied to the pebble to test the 3D capabilities. A gas bubble was hypothesized inside the TRISO kernel and 3D simulation was also carried out under this scenario. Intuition-coherent results were obtained and reported in this paper.
Gerhard Strydom; Cristian Rabiti; Andrea Alfonsi
2012-10-01
PHISICS is a neutronics code system currently under development at the Idaho National Laboratory (INL). Its goal is to provide state of the art simulation capability to reactor designers. The different modules for PHISICS currently under development are a nodal and semi-structured transport core solver (INSTANT), a depletion module (MRTAU) and a cross section interpolation (MIXER) module. The INSTANT module is the most developed of the mentioned above. Basic functionalities are ready to use, but the code is still in continuous development to extend its capabilities. This paper reports on the effort of coupling the nodal kinetics code package PHISICS (INSTANT/MRTAU/MIXER) to the thermal hydraulics system code RELAP5-3D, to enable full core and system modeling. This will enable the possibility to model coupled (thermal-hydraulics and neutronics) problems with more options for 3D neutron kinetics, compared to the existing diffusion theory neutron kinetics module in RELAP5-3D (NESTLE). In the second part of the paper, an overview of the OECD/NEA MHTGR-350 MW benchmark is given. This benchmark has been approved by the OECD, and is based on the General Atomics 350 MW Modular High Temperature Gas Reactor (MHTGR) design. The benchmark includes coupled neutronics thermal hydraulics exercises that require more capabilities than RELAP5-3D with NESTLE offers. Therefore, the MHTGR benchmark makes extensive use of the new PHISICS/RELAP5-3D coupling capabilities. The paper presents the preliminary results of the three steady state exercises specified in Phase I of the benchmark using PHISICS/RELAP5-3D.
2D/1D approximations to the 3D neutron transport equation. II: Numerical comparisons
Kelley, B. W.; Collins, B.; Larsen, E. W.
2013-07-01
In a companion paper [1], (i) several new '2D/1D equations' are introduced as accurate approximations to the 3D Boltzmann transport equation, (ii) the simplest of these approximate equations is systematically discretized, and (iii) a theoretically stable iteration scheme is developed to solve the discrete equations. In this paper, numerical results are presented that confirm the theoretical predictions made in [1]. (authors)
NASA Technical Reports Server (NTRS)
Fletcher, Michael J.; Won, Mark J.; Cosentino, Gary B.; Te, Alexander
1993-01-01
Subsonic inlet ducts for advanced, high-performance aircraft are evolving towards complex three-dimensional shapes for reasons of overall integration and weight. These factors lead to diffuser geometries that may sacrifice inlet performance, unless careful attention to design details and boundary layer management techniques are employed. The ability of viscous computational fluid dynamic (CFD) analysis of such geometries to aid the aircraft configurator in this complex design problem is herein examined. The RANS-3D Reynolds-Averaged Navier-Stokes solver is applied to model the complex flowfield occurring in a representative diffuser geometry and the solutions are compared to experimental results from a static test of the inlet duct. The computational results are shown to compare very favorably with experimental results over a range of mass flow rates, including those involving large amounts of separation in the diffuser. In addition, a novel grid topology is presented, and two turbulence models are evaluated in this study as part of the RANS-3D code.
NASA Astrophysics Data System (ADS)
Xiu, Ziyang; Deng, Zongquan; Wang, Xiaofeng; Wu, Gaohui
A dense and uniform Sip/LG5 composite were fabricated by squeeze casting technology, and high temperature diffusion treatment was adapted to the composite. Microstructure observation indicated that Si transformed from irregular particles to 3D-structure. Fine dispersive precipitates Si were also observed on Si-Al interface and within Al matrix, smoothing and improving the interface. Based on the microstructure observation, three transformation stages were designated: melting, dissolution and precipitation, solidification. Thermodynamics and kinetics of the transformation can be explained by Gibbs-Thomson effect.
NASA Astrophysics Data System (ADS)
Peng, Hongyun; Wen, Huanyao; Zhu, Changjiang
2014-12-01
In this paper, we study the existence of global classical solutions and the vanishing diffusion limit of a 3D conservation laws derived from the well-known Keller-Segel model. First, we establish the global well-posedness of classical solutions to the Cauchy problem for the model with smooth initial data which is of small L 2 norm, together with some a priori estimates uniform for t and . Then, we investigate the zero diffusion limit and get the global well-posedness of classical solutions to the Cauchy problem for the non-diffusive model. Finally, we derive the convergence rate of the model toward the non-diffusive model. It is shown that the convergence rate in L ∞ norm is of the order . It should be noted that the initial data are small in L 2-norm but can be of large oscillations with constant state at far field. As a byproduct, we improve the corresponding result on the well-posedness of the non-diffusive model which requires small oscillations.
Gary W. Phillips
2000-12-20
We have investigated 3-dimensional optical random access memory (3D-ORAM) materials for detection and characterization of charged particles of neutrons by detecting tracks left by the recoil charged particles produced by the neutrons. We have characterized the response of these materials to protons, alpha particles and carbon-12 nuclei as a functions of dose and energy. We have observed individual tracks using scanning electron microscopy and atomic force microscopy. We are investigating the use of neural net analysis to characterize energetic neutron fields from their track structure in these materials.
Code System for 2-Group, 3D Neutronic Kinetics Calculations Coupled to Core Thermal Hydraulics.
Energy Science and Technology Software Center (ESTSC)
2000-05-12
Version 00 QUARK is a combined computer program comprising a revised version of the QUANDRY three-dimensional, two-group neutron kinetics code and an upgraded version of the COBRA transient core analysis code (COBRA-EN). Starting from either a critical steady-state (k-effective or critical dilute Boron problem) or a subcritical steady-state (fixed source problem) in a PWR plant, the code allows one to simulate the neutronic and thermal-hydraulic core transient response to reactivity accidents initiated both inside themore » vessel (such as a control rod ejection) and outside the vessel (such as the sudden change of the Boron concentration in the coolant). QUARK output can be used as input to PSR-470/NORMA-FP to perform a subchannel analysis from converged coarse-mesh nodal solutions.« less
NASA Astrophysics Data System (ADS)
Hu, Y.; Ji, Y.; Egbert, G. D.
2015-12-01
The fictitious time domain method (FTD), based on the correspondence principle for wave and diffusion fields, has been developed and used over the past few years primarily for marine electromagnetic (EM) modeling. Here we present results of our efforts to apply the FTD approach to land and airborne TEM problems which can reduce the computer time several orders of magnitude and preserve high accuracy. In contrast to the marine case, where sources are in the conductive sea water, we must model the EM fields in the air; to allow for topography air layers must be explicitly included in the computational domain. Furthermore, because sources for most TEM applications generally must be modeled as finite loops, it is useful to solve directly for the impulse response appropriate to the problem geometry, instead of the point-source Green functions typically used for marine problems. Our approach can be summarized as follows: (1) The EM diffusion equation is transformed to a fictitious wave equation. (2) The FTD wave equation is solved with an explicit finite difference time-stepping scheme, with CPML (Convolutional PML) boundary conditions for the whole computational domain including the air and earth , with FTD domain source corresponding to the actual transmitter geometry. Resistivity of the air layers is kept as low as possible, to compromise between efficiency (longer fictitious time step) and accuracy. We have generally found a host/air resistivity contrast of 10-3 is sufficient. (3)A "Modified" Fourier Transform (MFT) allow us recover system's impulse response from the fictitious time domain to the diffusion (frequency) domain. (4) The result is multiplied by the Fourier transformation （FT） of the real source current avoiding time consuming convolutions in the time domain. (5) The inverse FT is employed to get the final full waveform and full time response of the system in the time domain. In general, this method can be used to efficiently solve most time-domain EM
FAST SIMULATION OF SOLID TUMORS THERMAL ABLATION TREATMENTS WITH A 3D REACTION DIFFUSION MODEL *
BERTACCINI, DANIELE; CALVETTI, DANIELA
2007-01-01
An efficient computational method for near real-time simulation of thermal ablation of tumors via radio frequencies is proposed. Model simulations of the temperature field in a 3D portion of tissue containing the tumoral mass for different patterns of source heating can be used to design the ablation procedure. The availability of a very efficient computational scheme makes it possible update the predicted outcome of the procedure in real time. In the algorithms proposed here a discretization in space of the governing equations is followed by an adaptive time integration based on implicit multistep formulas. A modification of the ode15s MATLAB function which uses Krylov space iterative methods for the solution of for the linear systems arising at each integration step makes it possible to perform the simulations on standard desktop for much finer grids than using the built-in ode15s. The proposed algorithm can be applied to a wide class of nonlinear parabolic differential equations. PMID:17173888
Fast simulation of solid tumors thermal ablation treatments with a 3D reaction diffusion model.
Bertaccini, Daniele; Calvetti, Daniela
2007-08-01
An efficient computational method for near real-time simulation of thermal ablation of tumors via radio frequencies is proposed. Model simulations of the temperature field in a 3D portion of tissue containing the tumoral mass for different patterns of source heating can be used to design the ablation procedure. The availability of a very efficient computational scheme makes it possible to update the predicted outcome of the procedure in real time. In the algorithms proposed here a discretization in space of the governing equations is followed by an adaptive time integration based on implicit multistep formulas. A modification of the ode15s MATLAB function which uses Krylov space iterative methods for the solution of the linear systems arising at each integration step makes it possible to perform the simulations on standard desktop for much finer grids than using the built-in ode15s. The proposed algorithm can be applied to a wide class of nonlinear parabolic differential equations. PMID:17173888
MO-G-BRF-07: Anomalously Fast Diffusion of Carbon Nanotubes Carriers in 3D Tissue Model
Wang, Y; Bahng, J; Kotov, N
2014-06-15
Purpose: We aim to investigate and understand diffusion process of carbon nanotubes (CNTs) and other nanoscale particles in tissue and organs. Methods: In this research, we utilized a 3D model tissue of hepatocellular carcinoma (HCC)cultured in inverted colloidal crystal (ICC) scaffolds to compare the diffusivity of CNTs with small molecules such as Rhodamine and FITC in vitro, and further investigated the transportation of CNTs with and without targeting ligand, TGFβ1. The real-time permeation profiles of CNTs in HCC tissue model with high temporal and spatial resolution was demonstrated by using standard confocal microscopy. Quantitative analysis of the diffusion process in 3D was carried out using luminescence intensity in a series of Z-stack images obtained for different time points of the diffusion process after initial addition of CNTs or small molecules to the cell culture and the image data was analyzed by software ImageJ and Mathematica. Results: CNTs display diffusion rate in model tissues substantially faster than small molecules of the similar charge such as FITC, and the diffusion rate of CNTs are significantly enhanced with targeting ligand, TGFβ1. Conclusion: In terms of the advantages of in-vitro model, we were able to have access to measuring the rate of CNT penetration at designed conditions with variable parameters. And the findings by using this model, changed our understanding about advantages of CNTs as nanoscale drug carriers and provides design principles for making new drug carriers for both treatment and diagnostics. Additionally the fast diffusion opens the discussion of the best possible drug carriers to reach deep parts of cancerous tissues, which is often a prerequisite for successful cancer treatment. This work was supported by the Center for Photonic and Multiscale Nanomaterials funded by National Science Foundation Materials Research Science and Engineering Center program DMR 1120923. The work was also partially supported by NSF
Time-resolved diffusion tomographic 2D and 3D imaging in highly scattering turbid media
NASA Technical Reports Server (NTRS)
Alfano, Robert R. (Inventor); Cai, Wei (Inventor); Gayen, Swapan K. (Inventor)
2000-01-01
A method for imaging objects in highly scattering turbid media. According to one embodiment of the invention, the method involves using a plurality of intersecting source/detectors sets and time-resolving equipment to generate a plurality of time-resolved intensity curves for the diffusive component of light emergent from the medium. For each of the curves, the intensities at a plurality of times are then inputted into the following inverse reconstruction algorithm to form an image of the medium: wherein W is a matrix relating output at source and detector positions r.sub.s and r.sub.d, at time t, to position r, .LAMBDA. is a regularization matrix, chosen for convenience to be diagonal, but selected in a way related to the ratio of the noise,
Time-resolved diffusion tomographic 2D and 3D imaging in highly scattering turbid media
NASA Technical Reports Server (NTRS)
Alfano, Robert R. (Inventor); Cai, Wei (Inventor); Liu, Feng (Inventor); Lax, Melvin (Inventor); Das, Bidyut B. (Inventor)
1999-01-01
A method for imaging objects in highly scattering turbid media. According to one embodiment of the invention, the method involves using a plurality of intersecting source/detectors sets and time-resolving equipment to generate a plurality of time-resolved intensity curves for the diffusive component of light emergent from the medium. For each of the curves, the intensities at a plurality of times are then inputted into the following inverse reconstruction algorithm to form an image of the medium: ##EQU1## wherein W is a matrix relating output at source and detector positions r.sub.s and r.sub.d, at time t, to position r, .LAMBDA. is a regularization matrix, chosen for convenience to be diagonal, but selected in a way related to the ratio of the noise,
Diffusion of 3D-transition elements in Ti-54at%Al
Lee, C.G.; Iijima, Y.; Kim, S.E.; Lee, Y.T.; Kim, H.M.
1995-12-31
The diffusion coefficients of iron, cobalt, manganese and chromium in Ti-54at%Al alloy were measured over the temperature range from 1,000 to 1,540 K. This study used the radioactive tracers {sup 59}Fe, {sup 57}Co, {sup 54}Mn and {sup 51}Cr and employed the serial the radio-frequency sputter-microsectioning method to measure the penetration profiles of the radioisotope into the specimen. The temperature dependence of the diffusion coefficients was analyzed to be expressed by the following Arrhenius equations: D{sub Fe/TiAl} = (1.3 {times} 10{sup {minus}3}) exp ({minus}363 kJ mol{sup {minus}1}/RT) m{sup 2}/s, D{sub Co/TiAl} = (1.1 {times} 10{sup {minus}3}) exp ({minus}318 kJ mol{sup {minus}1}/RT) m{sup 2}/s, D{sub Mn/TiAl} = (1.2 {times} 10{sup {minus}3}) exp ({minus}326 kJ mol{sup {minus}1}/RT) m{sup 2}/s, D{sub Cr/TiAl} = (4.4 {times} 10{sup {minus}3}) exp ({minus}350 kJ mol{sup {minus}1}/RT) m{sup 2}/s.
Schütze, Friedrich; Röhrig, Florian; Vorlová, Sandra; Gätzner, Sabine; Kuhn, Anja; Ergün, Süleyman; Henke, Erik
2015-01-01
Tumors are characterized by a rigid, highly cross-linked extracellular matrix (ECM), which impedes homogeneous drug distribution and potentially protects malignant cells from exposure to therapeutics. Lysyl oxidases are major contributors to tissue stiffness and the elevated expression of these enzymes observed in most cancers might influence drug distribution and efficacy. We examined the effect of lysyl oxidases on drug distribution and efficacy in 3D in vitro assay systems. In our experiments elevated lysyl oxidase activity was responsible for reduced drug diffusion under hypoxic conditions and consequently impaired cytotoxicity of various chemotherapeutics. This effect was only observed in 3D settings but not in 2D-cell culture, confirming that lysyl oxidases affect drug efficacy by modification of the ECM and do not confer a direct desensitizing effect. Both drug diffusion and efficacy were strongly enhanced by inhibition of lysyl oxidases. The results from the in vitro experiments correlated with tumor drug distribution in vivo, and predicted response to therapeutics in murine tumor models. Our results demonstrate that lysyl oxidase activity modulates the physical barrier function of ECM for small molecule drugs influencing their therapeutic efficacy. Targeting this process has the potential to significantly enhance therapeutic efficacy in the treatment of malignant diseases. PMID:26620400
Van, Anh T; Aksoy, Murat; Holdsworth, Samantha J; Kopeinigg, Daniel; Vos, Sjoerd B; Bammer, Roland
2014-01-01
Purpose To propose a method for mitigating slab boundary artifacts in 3D multislab diffusion imaging with no or minimal increases in scan time. Methods The multislab acquisition was treated as parallel imaging acquisition where the slab profiles acted as the traditional receiver sensitivity profiles. All the slabs were then reconstructed simultaneously along the slab direction using Cartesian-based sensitivity encoding (SENSE) reconstruction. The slab profile estimation was performed using either a Bloch simulation or a calibration scan. Results Both phantom and in vivo results showed negligible slab boundary artifacts after reconstruction using the proposed method. The performance of the proposed method is comparable to the state-of-the-art slab combination method without the scan time penalty that depends on the number of acquired volumes. The obtained g-factor map of the SENSE reconstruction problem showed a maximum g-factor of 1.7 in the region of interest. Conclusion We proposed a novel method for mitigating slab boundary artifacts in 3D diffusion imaging by treating the multislab acquisition as a parallel imaging acquisition and reconstructing all slabs simultaneously using Cartesian SENSE. Unlike existing methods, the scan time increase, if any, does not scale with the number of image volumes acquired. PMID:24691843
Cai, Yu; McMurray, Matthew S.; Oguz, Ipek; Yuan, Hong; Styner, Martin A.; Lin, Weili; Johns, Josephine M.; An, Hongyu
2011-01-01
High resolution diffusion tensor imaging (DTI) can provide important information on brain development, yet it is challenging in live neonatal rats due to the small size of neonatal brain and motion-sensitive nature of DTI. Imaging in live neonatal rats has clear advantages over fixed brain scans, as longitudinal and functional studies would be feasible to understand neuro-developmental abnormalities. In this study, we developed imaging strategies that can be used to obtain high resolution 3D DTI images in live neonatal rats at postnatal day 5 (PND5) and PND14, using only 3 h of imaging acquisition time. An optimized 3D DTI pulse sequence and appropriate animal setup to minimize physiological motion artifacts are the keys to successful high resolution 3D DTI imaging. Thus, a 3D rapid acquisition relaxation enhancement DTI sequence with twin navigator echoes was implemented to accelerate imaging acquisition time and minimize motion artifacts. It has been suggested that neonatal mammals possess a unique ability to tolerate mild-to-moderate hypothermia and hypoxia without long term impact. Thus, we additionally utilized this ability to minimize motion artifacts in magnetic resonance images by carefully suppressing the respiratory rate to around 15/min for PND5 and 30/min for PND14 using mild-to-moderate hypothermia. These imaging strategies have been successfully implemented to study how the effect of cocaine exposure in dams might affect brain development in their rat pups. Image quality resulting from this in vivo DTI study was comparable to ex vivo scans. fractional anisotropy values were also similar between the live and fixed brain scans. The capability of acquiring high quality in vivo DTI imaging offers a valuable opportunity to study many neurological disorders in brain development in an authentic living environment. PMID:22013426
Lee, Shiu-Hang; Kamae, Tuneyoshi; Ellison, Donald C.
2008-07-02
We present a 3-dimensional model of supernova remnants (SNRs) where the hydrodynamical evolution of the remnant is modeled consistently with nonlinear diffusive shock acceleration occurring at the outer blast wave. The model includes particle escape and diffusion outside of the forward shock, and particle interactions with arbitrary distributions of external ambient material, such as molecular clouds. We include synchrotron emission and cooling, bremsstrahlung radiation, neutral pion production, inverse-Compton (IC), and Coulomb energy-loss. Boardband spectra have been calculated for typical parameters including dense regions of gas external to a 1000 year old SNR. In this paper, we describe the details of our model but do not attempt a detailed fit to any specific remnant. We also do not include magnetic field amplification (MFA), even though this effect may be important in some young remnants. In this first presentation of the model we don't attempt a detailed fit to any specific remnant. Our aim is to develop a flexible platform, which can be generalized to include effects such as MFA, and which can be easily adapted to various SNR environments, including Type Ia SNRs, which explode in a constant density medium, and Type II SNRs, which explode in a pre-supernova wind. When applied to a specific SNR, our model will predict cosmic-ray spectra and multi-wavelength morphology in projected images for instruments with varying spatial and spectral resolutions. We show examples of these spectra and images and emphasize the importance of measurements in the hard X-ray, GeV, and TeV gamma-ray bands for investigating key ingredients in the acceleration mechanism, and for deducing whether or not TeV emission is produced by IC from electrons or pion-decay from protons.
Lee, C. H.; Zhong, Z.; Taiwo, T.A.; Yang, W.S.; Khalil, H.S.; Smith, M.A.; Nuclear Engineering Division
2006-10-13
asymmetric absorber rods), surface-dependent discontinuity factors based on nodal equivalence theory have been introduced into the nodal diffusion theory option of the DIF3D code (DIF3D-nodal) to improve modeling accuracy. Additionally, the discontinuity factors based on the Simplified Equivalence Theory (SET) have been incorporated as an alternative and may be employed for both the DIF3D-nodal and DIF3D-VARIANT (nodal transport) solution options. Two- and three-dimensional core calculations have been performed using the routines developed and modified in this work, along with cross sections generated from single fuel block and one-dimensional or two-dimensional fuel-reflector model. Generally, REBUS-3/DIF3D results for the core multiplication factor and power distribution are found to be in good agreement with reference results (generated with MCNP continuous energy calculations) particularly when discontinuity factors are applied. The DIF3D-VARIANT option was found to provide a more accurate solution in its diffusion approximation than the DIF3D-nodal option. Control rod worths can be estimated with acceptably small errors compared to MCNP results. However, estimation of the core power tilt needs to be improved by introducing the surface-dependent discontinuity factor capability in DIF3D-VARIANT.
NASA Astrophysics Data System (ADS)
Bhowmik, Tanmoy; Liu, Hanli; Ye, Zhou; Oraintara, Soontorn
2016-03-01
Diffuse optical tomography (DOT) is a relatively low cost and portable imaging modality for reconstruction of optical properties in a highly scattering medium, such as human tissue. The inverse problem in DOT is highly ill-posed, making reconstruction of high-quality image a critical challenge. Because of the nature of sparsity in DOT, sparsity regularization has been utilized to achieve high-quality DOT reconstruction. However, conventional approaches using sparse optimization are computationally expensive and have no selection criteria to optimize the regularization parameter. In this paper, a novel algorithm, Dimensionality Reduction based Optimization for DOT (DRO-DOT), is proposed. It reduces the dimensionality of the inverse DOT problem by reducing the number of unknowns in two steps and thereby makes the overall process fast. First, it constructs a low resolution voxel basis based on the sensing-matrix properties to find an image support. Second, it reconstructs the sparse image inside this support. To compensate for the reduced sensitivity with increasing depth, depth compensation is incorporated in DRO-DOT. An efficient method to optimally select the regularization parameter is proposed for obtaining a high-quality DOT image. DRO-DOT is also able to reconstruct high-resolution images even with a limited number of optodes in a spatially limited imaging set-up.
Bhowmik, Tanmoy; Liu, Hanli; Ye, Zhou; Oraintara, Soontorn
2016-01-01
Diffuse optical tomography (DOT) is a relatively low cost and portable imaging modality for reconstruction of optical properties in a highly scattering medium, such as human tissue. The inverse problem in DOT is highly ill-posed, making reconstruction of high-quality image a critical challenge. Because of the nature of sparsity in DOT, sparsity regularization has been utilized to achieve high-quality DOT reconstruction. However, conventional approaches using sparse optimization are computationally expensive and have no selection criteria to optimize the regularization parameter. In this paper, a novel algorithm, Dimensionality Reduction based Optimization for DOT (DRO-DOT), is proposed. It reduces the dimensionality of the inverse DOT problem by reducing the number of unknowns in two steps and thereby makes the overall process fast. First, it constructs a low resolution voxel basis based on the sensing-matrix properties to find an image support. Second, it reconstructs the sparse image inside this support. To compensate for the reduced sensitivity with increasing depth, depth compensation is incorporated in DRO-DOT. An efficient method to optimally select the regularization parameter is proposed for obtaining a high-quality DOT image. DRO-DOT is also able to reconstruct high-resolution images even with a limited number of optodes in a spatially limited imaging set-up. PMID:26940661
Bhowmik, Tanmoy; Liu, Hanli; Ye, Zhou; Oraintara, Soontorn
2016-01-01
Diffuse optical tomography (DOT) is a relatively low cost and portable imaging modality for reconstruction of optical properties in a highly scattering medium, such as human tissue. The inverse problem in DOT is highly ill-posed, making reconstruction of high-quality image a critical challenge. Because of the nature of sparsity in DOT, sparsity regularization has been utilized to achieve high-quality DOT reconstruction. However, conventional approaches using sparse optimization are computationally expensive and have no selection criteria to optimize the regularization parameter. In this paper, a novel algorithm, Dimensionality Reduction based Optimization for DOT (DRO-DOT), is proposed. It reduces the dimensionality of the inverse DOT problem by reducing the number of unknowns in two steps and thereby makes the overall process fast. First, it constructs a low resolution voxel basis based on the sensing-matrix properties to find an image support. Second, it reconstructs the sparse image inside this support. To compensate for the reduced sensitivity with increasing depth, depth compensation is incorporated in DRO-DOT. An efficient method to optimally select the regularization parameter is proposed for obtaining a high-quality DOT image. DRO-DOT is also able to reconstruct high-resolution images even with a limited number of optodes in a spatially limited imaging set-up. PMID:26940661
TART97 a coupled neutron-photon 3-D, combinatorial geometry Monte Carlo transport code
Cullen, D.E.
1997-11-22
TART97 is a coupled neutron-photon, 3 Dimensional, combinatorial geometry, time dependent Monte Carlo transport code. This code can on any modern computer. It is a complete system to assist you with input preparation, running Monte Carlo calculations, and analysis of output results. TART97 is also incredibly FAST; if you have used similar codes, you will be amazed at how fast this code is compared to other similar codes. Use of the entire system can save you a great deal of time and energy. TART97 is distributed on CD. This CD contains on- line documentation for all codes included in the system, the codes configured to run on a variety of computers, and many example problems that you can use to familiarize yourself with the system. TART97 completely supersedes all older versions of TART, and it is strongly recommended that users only use the most recent version of TART97 and its data riles.
Microstructure of 3D-Printed Polymer Composites Investigated by Small-Angle Neutron Scattering
NASA Astrophysics Data System (ADS)
Kang, Tae Hui; Compton, Brett G.; Heller, William T.; Urban, Voker S.; Duty, Chad E.; Do, Changwoo
Polymer composites printed from the large scale printer at Manufacturing Demonstration Facility at Oak Ridge National Laboratory have been investigated by small-angle neutron scattering (SANS). For the Acrylonitrile Butadiene Styrene (ABS)/Carbon Fiber (CF) composites, the microstructure of polymer domains and the alignment of CF have been characterized across the layer from the printed piece. CF shows strong anisotropic alignment along the printing direction due to the flow of polymer melt at the nozzle. Order parameter of the anisotropy which ranges from -0.11 to -0.06 exhibits strong correlation with the position within the layer: stronger alignment near the layer interface. It is also confirmed that the existence of CF reduces the polymer domain correlation length significantly and reinforces the mechanical strength of the polymer composites. For the Epoxy/nano-clay platelet composites, the effect of processing condition, nozzle size, and the addition of the another filler, Silicon Carbide (SC), have been investigated by SANS. Nano-clay platelet shows strong anisotropic alignment along the printing direction as well. Order parameter of the anisotropy varies according to nozzle size and presence of the SC, and difference disappears at high Q region. Scientific User Facilities Division and Materials Sciences and Energy Division, Office of Basic Energy Sciences, U.S. Department of Energy.
A Coupled Neutron-Photon 3-D Combinatorial Geometry Monte Carlo Transport Code
Energy Science and Technology Software Center (ESTSC)
1998-06-12
TART97 is a coupled neutron-photon, 3 dimensional, combinatorial geometry, time dependent Monte Carlo transport code. This code can run on any modern computer. It is a complete system to assist you with input preparation, running Monte Carlo calculations, and analysis of output results. TART97 is also incredibly fast: if you have used similar codes, you will be amazed at how fast this code is compared to other similar codes. Use of the entire system canmore » save you a great deal of time and energy. TART 97 is distributed on CD. This CD contains on-line documentation for all codes included in the system, the codes configured to run on a variety of computers, and many example problems that you can use to familiarize yourself with the system. TART97 completely supersedes all older versions of TART, and it is strongly recommended that users only use the most recent version of TART97 and ist data files.« less
Ye, Chunfang; Kamysiak, Keith T; Sullivan, Amy C; McLeod, Robert R
2012-03-12
We demonstrate single-mode uniform and parabolically tapered three-dimensional waveguides fabricated via direct-write lithography in diffusion-based photopolymers. Modulation of the writing power is shown to compensate Beer-Lambert absorption in the single-photon initiator and to provide precise control of modal tapers. A laminated sample preparation is introduced to enable full 3D characterization of these modal tapers without the need for sample polishing which is difficult for this class of polymer. The accuracy and repeatability of this modal characterization is shown to allow precise measurement of propagation loss from single samples. These testing procedures are used to demonstrate single-mode waveguides with 0.147 dB/cm excess propagation loss and symmetrical tapers up to 1:2.5 using 1.5 microwatts of continuous write power. PMID:22418540
NASA Astrophysics Data System (ADS)
Huerta, N. J.; Murphy, M. A.; Natarajan, V.; Weber, G.; Hamann, B.; Sumner, D. Y.
2005-12-01
Three-dimensional visualization of intricate microbial structures in rocks is essential to understand the growth of ancient microbial communities. We have imaged and reconstructed the three-dimensional morphology of 2.5-2.6 billion year old intricate microbialites preserved in carbonate using both serial sectioning and neutron computed tomography (NCT). Reconstruction techniques vary with data type and sample preservation. NCT is a non-destructive technique for imaging organic-containing samples with sufficiently high hydrogen concentrations. The resolution of reconstruction is finer than 500 microns. We reconstructed microbialites preserved as organic inclusions in calcite using NCT. Reconstructions are interpreted using volume rendering, segmentation, and an interactive Matlab/visualization environment. Visualizations demonstrate the intricacy of the structures. Noise currently limits automatic growth surface extraction, but growth of structures can be qualitatively evaluated. One of the largest obstacles to date is efficient manipulation of large data sets. Our current visualization approach always renders the supplied data set at full resolution, which requires down-sampling of datasets larger than 256 pixels3 (acquired volume data consists of up to 2048 pixels3) to isolate regions of interest and extract important features. We are exploring the use of multi-resolution techniques that store a dataset at different levels of detail and chose an appropriate resolution during user-interaction. Such an approach will allow us to visualize raw data at full resolution. Serial sectioning and scanning successive horizons provides reconstructions of samples lacking sufficient hydrogen for NCT. This technique destroys the sample and has a lower resolution than NCT. However, intricate networks of microbial laminae surrounded by cement-filled voids can be characterized using this technique. After microbial surfaces are manually interpreted on slices, the images lack noise
NASA Astrophysics Data System (ADS)
Bergmann, Ryan
Graphics processing units, or GPUs, have gradually increased in computational power from the small, job-specific boards of the early 1990s to the programmable powerhouses of today. Compared to more common central processing units, or CPUs, GPUs have a higher aggregate memory bandwidth, much higher floating-point operations per second (FLOPS), and lower energy consumption per FLOP. Because one of the main obstacles in exascale computing is power consumption, many new supercomputing platforms are gaining much of their computational capacity by incorporating GPUs into their compute nodes. Since CPU-optimized parallel algorithms are not directly portable to GPU architectures (or at least not without losing substantial performance), transport codes need to be rewritten to execute efficiently on GPUs. Unless this is done, reactor simulations cannot take full advantage of these new supercomputers. WARP, which can stand for ``Weaving All the Random Particles,'' is a three-dimensional (3D) continuous energy Monte Carlo neutron transport code developed in this work as to efficiently implement a continuous energy Monte Carlo neutron transport algorithm on a GPU. WARP accelerates Monte Carlo simulations while preserving the benefits of using the Monte Carlo Method, namely, very few physical and geometrical simplifications. WARP is able to calculate multiplication factors, flux tallies, and fission source distributions for time-independent problems, and can run in both criticality or fixed source modes. WARP can transport neutrons in unrestricted arrangements of parallelepipeds, hexagonal prisms, cylinders, and spheres. WARP uses an event-based algorithm, but with some important differences. Moving data is expensive, so WARP uses a remapping vector of pointer/index pairs to direct GPU threads to the data they need to access. The remapping vector is sorted by reaction type after every transport iteration using a high-efficiency parallel radix sort, which serves to keep the
Chervin, Christopher N; Parker, Joseph F; Nelson, Eric S; Rolison, Debra R; Long, Jeffrey W
2016-04-29
The ability to effectively screen and validate gas-diffusion electrodes is critical to the development of next-generation metal-air batteries and regenerative fuel cells. The limiting electrode in a classic two-terminal device such as a battery or fuel cell is difficult to discern without an internal reference electrode, but the flooded electrolyte characteristic of three-electrode electroanalytical cells negates the prime function of an air electrode-a void volume freely accessible to gases. The nanostructured catalysts that drive the energy-conversion reactions (e.g., oxygen reduction and evolution in the air electrode of metal-air batteries) are best evaluated in the electrode structure as-used in the practical device. We have designed, 3D-printed, and characterized an air-breathing, thermodynamically referenced electroanalytical cell that allows us to mimic the Janus arrangement of the gas-diffusion electrode in a metal-air cell: one face freely exposed to gases, the other wetted by electrolyte. PMID:26987282
NASA Astrophysics Data System (ADS)
Chervin, Christopher N.; Parker, Joseph F.; Nelson, Eric S.; Rolison, Debra R.; Long, Jeffrey W.
2016-04-01
The ability to effectively screen and validate gas-diffusion electrodes is critical to the development of next-generation metal-air batteries and regenerative fuel cells. The limiting electrode in a classic two-terminal device such as a battery or fuel cell is difficult to discern without an internal reference electrode, but the flooded electrolyte characteristic of three-electrode electroanalytical cells negates the prime function of an air electrode—a void volume freely accessible to gases. The nanostructured catalysts that drive the energy-conversion reactions (e.g., oxygen reduction and evolution in the air electrode of metal-air batteries) are best evaluated in the electrode structure as-used in the practical device. We have designed, 3D-printed, and characterized an air-breathing, thermodynamically referenced electroanalytical cell that allows us to mimic the Janus arrangement of the gas-diffusion electrode in a metal-air cell: one face freely exposed to gases, the other wetted by electrolyte.
Generalized diffusion equation and analytical expressions to neutron scattering experiments
NASA Astrophysics Data System (ADS)
Fa, Kwok Sau
2014-12-01
An integro-differential diffusion equation with linear force, based on the continuous time random walk model, is considered. The equation generalizes the ordinary and fractional diffusion equations. Analytical expressions related to neutron scattering experiments are presented and analyzed, which can be used to describe, for instance, biological systems.
Lockwood, Sarah Y; Meisel, Jayda E; Monsma, Frederick J; Spence, Dana M
2016-02-01
The process of bringing a drug to market involves many steps, including the preclinical stage, where various properties of the drug candidate molecule are determined. These properties, which include drug absorption, distribution, metabolism, and excretion, are often displayed in a pharmacokinetic (PK) profile. While PK profiles are determined in animal models, in vitro systems that model in vivo processes are available, although each possesses shortcomings. Here, we present a 3D-printed, diffusion-based, and dynamic in vitro PK device. The device contains six flow channels, each with integrated porous membrane-based insert wells. The pores of these membranes enable drugs to freely diffuse back and forth between the flow channels and the inserts, thus enabling both loading and clearance portions of a standard PK curve to be generated. The device is designed to work with 96-well plate technology and consumes single-digit milliliter volumes to generate multiple PK profiles, simultaneously. Generation of PK profiles by use of the device was initially performed with fluorescein as a test molecule. Effects of such parameters as flow rate, loading time, volume in the insert well, and initial concentration of the test molecule were investigated. A prediction model was generated from this data, enabling the user to predict the concentration of the test molecule at any point along the PK profile within a coefficient of variation of ∼ 5%. Depletion of the analyte from the well was characterized and was determined to follow first-order rate kinetics, indicated by statistically equivalent (p > 0.05) depletion half-lives that were independent of the starting concentration. A PK curve for an approved antibiotic, levofloxacin, was generated to show utility beyond the fluorescein test molecule. PMID:26727249
Fevotte, F.; Lathuiliere, B.
2013-07-01
The large increase in computing power over the past few years now makes it possible to consider developing 3D full-core heterogeneous deterministic neutron transport solvers for reference calculations. Among all approaches presented in the literature, the method first introduced in [1] seems very promising. It consists in iterating over resolutions of 2D and ID MOC problems by taking advantage of prismatic geometries without introducing approximations of a low order operator such as diffusion. However, before developing a solver with all industrial options at EDF, several points needed to be clarified. In this work, we first prove the convergence of this iterative process, under some assumptions. We then present our high-performance, parallel implementation of this algorithm in the MICADO solver. Benchmarking the solver against the Takeda case shows that the 2D-1D coupling algorithm does not seem to affect the spatial convergence order of the MOC solver. As for performance issues, our study shows that even though the data distribution is suited to the 2D solver part, the efficiency of the ID part is sufficient to ensure a good parallel efficiency of the global algorithm. After this study, the main remaining difficulty implementation-wise is about the memory requirement of a vector used for initialization. An efficient acceleration operator will also need to be developed. (authors)
NASA Astrophysics Data System (ADS)
Moustafa, Salli; Févotte, François; Lathuilière, Bruno; Plagne, Laurent
2014-06-01
The past few years have been marked by a noticeable increase in the interest in 3D whole-core heterogeneous deterministic neutron transport solvers for reference calculations. Due to the extremely large problem sizes tackled by such solvers, they need to use adapted numerical methods and need to be efficiently implemented to take advantage of the full computing power of modern systems. As for numerical methods, one possible approach consists in iterating over resolutions of 2D and 1D MOC problems by taking advantage of prismatic geometries. The MICADO solver, developed at EDF R&D, is a parallel implementation of such a method in distributed and shared memory systems. However it is currently unable to use SIMD vectorization to leverage the full computing power of modern CPUs. In this paper, we describe our first effort to support vectorization in MICADO, typically targeting Intel© SSE CPUs. Both the 2D and 1D algorithms are vectorized, allowing for high expected speedups for the whole spatial solver. We present benchmark computations, which show nearly optimal speedups for our vectorized implementation on the TAKEDA case.
3-D transient analysis of pebble-bed HTGR by TORT-TD/ATTICA3D
Seubert, A.; Sureda, A.; Lapins, J.; Buck, M.; Bader, J.; Laurien, E.
2012-07-01
As most of the acceptance criteria are local core parameters, application of transient 3-D fine mesh neutron transport and thermal hydraulics coupled codes is mandatory for best estimate evaluations of safety margins. This also applies to high-temperature gas cooled reactors (HTGR). Application of 3-D fine-mesh transient transport codes using few energy groups coupled with 3-D thermal hydraulics codes becomes feasible in view of increasing computing power. This paper describes the discrete ordinates based coupled code system TORT-TD/ATTICA3D that has recently been extended by a fine-mesh diffusion solver. Based on transient analyses for the PBMR-400 design, the transport/diffusion capabilities are demonstrated and 3-D local flux and power redistribution effects during a partial control rod withdrawal are shown. (authors)
NASA Astrophysics Data System (ADS)
Bergmann, Ryan
Graphics processing units, or GPUs, have gradually increased in computational power from the small, job-specific boards of the early 1990s to the programmable powerhouses of today. Compared to more common central processing units, or CPUs, GPUs have a higher aggregate memory bandwidth, much higher floating-point operations per second (FLOPS), and lower energy consumption per FLOP. Because one of the main obstacles in exascale computing is power consumption, many new supercomputing platforms are gaining much of their computational capacity by incorporating GPUs into their compute nodes. Since CPU-optimized parallel algorithms are not directly portable to GPU architectures (or at least not without losing substantial performance), transport codes need to be rewritten to execute efficiently on GPUs. Unless this is done, reactor simulations cannot take full advantage of these new supercomputers. WARP, which can stand for ``Weaving All the Random Particles,'' is a three-dimensional (3D) continuous energy Monte Carlo neutron transport code developed in this work as to efficiently implement a continuous energy Monte Carlo neutron transport algorithm on a GPU. WARP accelerates Monte Carlo simulations while preserving the benefits of using the Monte Carlo Method, namely, very few physical and geometrical simplifications. WARP is able to calculate multiplication factors, flux tallies, and fission source distributions for time-independent problems, and can run in both criticality or fixed source modes. WARP can transport neutrons in unrestricted arrangements of parallelepipeds, hexagonal prisms, cylinders, and spheres. WARP uses an event-based algorithm, but with some important differences. Moving data is expensive, so WARP uses a remapping vector of pointer/index pairs to direct GPU threads to the data they need to access. The remapping vector is sorted by reaction type after every transport iteration using a high-efficiency parallel radix sort, which serves to keep the
DOE R&D Accomplishments Database
Weinberg, Alvin M.; Noderer, L. C.
1951-05-15
The large scale release of nuclear energy in a uranium fission chain reaction involves two essentially distinct physical phenomena. On the one hand there are the individual nuclear processes such as fission, neutron capture, and neutron scattering. These are essentially quantum mechanical in character, and their theory is non-classical. On the other hand, there is the process of diffusion -- in particular, diffusion of neutrons, which is of fundamental importance in a nuclear chain reaction. This process is classical; insofar as the theory of the nuclear chain reaction depends on the theory of neutron diffusion, the mathematical study of chain reactions is an application of classical, not quantum mechanical, techniques.
NASA Technical Reports Server (NTRS)
Asenov, Asen; Brown, A. R.; Slavcheva, G.; Davies, J. H.
2000-01-01
When MOSFETs are scaled to deep submicron dimensions the discreteness and randomness of the dopant charges in the channel region introduces significant fluctuations in the device characteristics. This effect, predicted 20 year ago, has been confirmed experimentally and in simulation studies. The impact of the fluctuations on the functionality, yield, and reliability of the corresponding systems shifts the paradigm of the numerical device simulation. It becomes insufficient to simulate only one device representing one macroscopical design in a continuous charge approximation. An ensemble of macroscopically identical but microscopically different devices has to be characterized by simulation of statistically significant samples. The aims of the numerical simulations shift from predicting the characteristics of a single device with continuous doping towards estimating the mean values and the standard deviations of basic design parameters such as threshold voltage, subthreshold slope, transconductance, drive current, etc. for the whole ensemble of 'atomistically' different devices in the system. It has to be pointed out that even the mean values obtained from 'atomistic' simulations are not identical to the values obtained from continuous doping simulations. In this paper we present a hierarchical approach to the 'atomistic' simulation of aggressively scaled decanano MOSFETs. A full scale 3D drift-diffusion'atomostic' simulation approach is first described and used for verification of the more economical, but also more restricted, options. To reduce the processor time and memory requirements at high drain voltage we have developed a self-consistent option based on a thin slab solution of the current continuity equation only in the channel region. This is coupled to the Poisson's equation solution in the whole simulation domain in the Gummel iteration cycles. The accuracy of this approach is investigated in comparison with the full self-consistent solution. At low drain
NASA Astrophysics Data System (ADS)
Dzhalandinov, A.; Tsofin, V.; Kochkin, V.; Panferov, P.; Timofeev, A.; Reshetnikov, A.; Makhotin, D.; Erak, D.; Voloschenko, A.
2016-02-01
Usually the synthesis of two-dimensional and one-dimensional discrete ordinate calculations is used to evaluate neutron fluence on VVER-1000 reactor pressure vessel (RPV) for prognosis of radiation embrittlement. But there are some cases when this approach is not applicable. For example the latest projects of VVER-1000 have upgraded surveillance program. Containers with surveillance specimens are located on the inner surface of RPV with fast neutron flux maximum. Therefore, the synthesis approach is not suitable enough for calculation of local disturbance of neutron field in RPV inner surface behind the surveillance specimens because of their complicated and heterogeneous structure. In some cases the VVER-1000 core loading consists of fuel assemblies with different fuel height and the applicability of synthesis approach is also ambiguous for these fuel cycles. Also, the synthesis approach is not enough correct for the neutron fluence estimation at the RPV area above core top. Because of these reasons only the 3D neutron transport codes seem to be satisfactory for calculation of neutron fluence on the VVER-1000 RPV. The direct 3D calculations are also recommended by modern regulations.
The AN neutron transport by nodal diffusion
Barbarino, A.; Tomatis, D.
2013-07-01
The two group diffusion model combined to a nodal approach in space is the preferred scheme for the industrial simulation of nuclear water reactors. The main selling point is the speed of computation, allowing a large number of parametric studies. Anyway, the drawbacks of the underlying diffusion equation may arise with highly heterogeneous interfaces, often encountered in modern UO{sub 2} and MO{sub x} fuel loading patterns, and boron less controlled systems. This paper aims at showing how the simplified AN transport model, equivalent to the well known SPN, can be implemented in standard diffusion codes with minor modifications. Some numerical results are illustrated. (authors)
NASA Astrophysics Data System (ADS)
Léone, Philippe; Bellitto, Carlo; Bauer, Elvira M.; Righini, Guido; André, Gilles; Bourée, Françoise
2008-11-01
The crystal and magnetic structures of the hybrid organic-inorganic layer compound Fe[(CD 3PO 3)(D 2O)] have been studied by neutron powder diffraction as a function of temperature down to 1.5 K. The neutron diffraction pattern recorded at 200 K shows that the fully deuterated compound crystallizes in one of the two known forms of the undeuterated Fe[(CH 3PO 3)(H 2O)]. The crystal structure is orthorhombic, space group Pmn2 1, with the following unit-cell parameters: a=5.7095(1) Å, b=8.8053(3) Å and c=4.7987(1) Å; Z=2. The crystal structure remains unchanged on cooling from 200 to 1.5 K. Moreover, at low temperature, Fe[(CD 3PO 3)(D 2O)] shows a commensurate magnetic structure ( k=(0,0,0)). As revealed by bulk susceptibility measurements on Fe[(CH 3PO 3)(H 2O)], the magnetic structure corresponds to a canted antiferromagnet with a critical temperature TN=25 K. Neutron powder diffraction reveals that below TN=23.5 K the iron magnetic moments in Fe[(CD 3PO 3)(D 2O)] are antiferromagnetically coupled and oriented along the b-axis, perpendicular to the inorganic layers. No ferromagnetic component is observable in the neutron powder diffraction experiment, due to its too small value (<0.1 μB).
NASA Technical Reports Server (NTRS)
Agrawal, Ajay K.; Yang, Tah-Teh
1993-01-01
This paper describes the 3D computations of a flow field in the compressor/combustor diffusers of an industrial gas turbine. The geometry considered includes components such as the combustor support strut, the transition piece and the impingement sleeve with discrete cooling air holes on its surface. Because the geometry was complex and 3D, the airflow path was divided into two computational domains sharing an interface region. The body-fitted grid was generated independently in each of the two domains. The governing equations for incompressible Navier-Stokes equations were solved using the finite volume approach. The results show that the flow in the prediffuser is strongly coupled with the flow in the dump diffuser and vice versa. The computations also revealed that the flow in the dump diffuser is highly nonuniform.
Cooling of neutron stars with diffusive envelopes
NASA Astrophysics Data System (ADS)
Beznogov, M. V.; Fortin, M.; Haensel, P.; Yakovlev, D. G.; Zdunik, J. L.
2016-08-01
We study the effects of heat blanketing envelopes of neutron stars on their cooling. To this aim, we perform cooling simulations using newly constructed models of the envelopes composed of binary ion mixtures (H-He, He-C, C-Fe) varying the mass of lighter ions (H, He or C) in the envelope. The results are compared with those calculated using the standard models of the envelopes which contain the layers of lighter (accreted) elements (H, He and C) on top of the Fe layer, varying the mass of accreted elements. The main effect is that the chemical composition of the envelopes influences their thermal conductivity and, hence, thermal insulation of the star. For illustration, we apply these results to estimate the internal temperature of the Vela pulsar and to study the cooling of neutron stars of ages of 105 - 106 yr at the photon cooling stage. The uncertainties of the cooling models associated with our poor knowledge of chemical composition of the heat insulating envelopes strongly complicate theoretical reconstruction of the internal structure of cooling neutron stars from observations of their thermal surface emission.
Fast non-overlapping Schwarz domain decomposition methods for solving the neutron diffusion equation
NASA Astrophysics Data System (ADS)
Jamelot, Erell; Ciarlet, Patrick
2013-05-01
Studying numerically the steady state of a nuclear core reactor is expensive, in terms of memory storage and computational time. In order to address both requirements, one can use a domain decomposition method, implemented on a parallel computer. We present here such a method for the mixed neutron diffusion equations, discretized with Raviart-Thomas-Nédélec finite elements. This method is based on the Schwarz iterative algorithm with Robin interface conditions to handle communications. We analyse this method from the continuous point of view to the discrete point of view, and we give some numerical results in a realistic highly heterogeneous 3D configuration. Computations are carried out with the MINOS solver of the APOLLO3® neutronics code. APOLLO3 is a registered trademark in France.
Fast non-overlapping Schwarz domain decomposition methods for solving the neutron diffusion equation
Jamelot, Erell; Ciarlet, Patrick
2013-05-15
Studying numerically the steady state of a nuclear core reactor is expensive, in terms of memory storage and computational time. In order to address both requirements, one can use a domain decomposition method, implemented on a parallel computer. We present here such a method for the mixed neutron diffusion equations, discretized with Raviart–Thomas–Nédélec finite elements. This method is based on the Schwarz iterative algorithm with Robin interface conditions to handle communications. We analyse this method from the continuous point of view to the discrete point of view, and we give some numerical results in a realistic highly heterogeneous 3D configuration. Computations are carried out with the MINOS solver of the APOLLO3® neutronics code.
NASA Astrophysics Data System (ADS)
Howarth, G. H.; Pernet-Fisher, J. F.; Sobolev, N. V.; Penumadu, D.; Puplampu, S.; Ketcham, R. A.; Maisano, J. A.; Taylor, D.; Taylor, L. A.
2013-12-01
Non-destructive, 3D tomography of diamondiferous eclogites (Siberia) has effectively imaged diamonds and their spatial and textural relationships in situ. A rare suite of 17 diamondiferous eclogites have been analyzed, representing the largest collection outside of Siberia. New innovations in X-ray imaging, in combination with the first effective use of neutron imaging techniques, allow for the identification of secondary metasomatic minerals and the delineation of metasomatic pathways through the eclogites. Combining observations from both imaging techniques provides first-order characterizations and textural descriptions critical for understanding diamond genesis that has heretofore been absent in the literature. Eclogitic diamonds are generally octahedral in morphology, but dodecahedral diamonds are also observed, completely enclosed within the eclogites, implying in situ resorption. Diamonds are never observed in contact with primary minerals - i.e., always surrounded by secondary phases. Primary garnet and clinopyroxene show varying degrees of alteration, discerning the delineation of metasomatic pathways. In general, such pathways are observed as interconnected networks of veinlets, commonly cross-cutting the eclogites. Furthermore, clinopyroxene-rich layers observed show higher degrees of alteration, relative to garnet-rich layers within the same sample, highlighting clinopyroxene as more susceptible to metasomatic alteration than garnet. Diamonds are always observed within such metasomatic pathways. For example, eclogite U-112 contains ~22 macro-diamonds, all of which are contained within an altered clinopyroxene-rich layer. In addition, no spatial relationship is observed between diamonds and sulfide phases. The ubiquitous association of diamonds with metasomatic minerals and pathways provides compelling evidence for the secondary origin of diamonds, in agreement with current interpretations on the origin of diamonds [1,2]. However, diamonds are generally
An asymptotic homogenized neutron diffusion approximation. I. Theory
Trahan, T. J.; Larsen, E. W.
2012-07-01
A monoenergetic, homogenized, anisotropic diffusion equation is derived asymptotically for large, 3-D, multiplying systems with a periodic lattice structure. The primary assumption is that the system is slightly perturbed from an infinite, periodic lattice, and that the length scale of a lattice element is small relative to the total system size. The perturbed flux is slightly buckled, and the leading order term is the product of a slowly varying amplitude component, and a rapidly varying periodic component. The amplitude function is the solution to the homogenized diffusion equation, while the periodic component is the solution to the unperturbed, infinite system, and can be found using any high-order transport method. The first order term acts as a correction term, and makes it possible to obtain a zero flux extrapolation distance for the diffusion equation by applying the Marshak boundary condition. (authors)
Asymptotic neutron scattering laws for anomalously diffusing quantum particles
NASA Astrophysics Data System (ADS)
Kneller, Gerald R.
2016-07-01
The paper deals with a model-free approach to the analysis of quasielastic neutron scattering intensities from anomalously diffusing quantum particles. All quantities are inferred from the asymptotic form of their time-dependent mean square displacements which grow ∝tα, with 0 ≤ α < 2. Confined diffusion (α = 0) is here explicitly included. We discuss in particular the intermediate scattering function for long times and the Fourier spectrum of the velocity autocorrelation function for small frequencies. Quantum effects enter in both cases through the general symmetry properties of quantum time correlation functions. It is shown that the fractional diffusion constant can be expressed by a Green-Kubo type relation involving the real part of the velocity autocorrelation function. The theory is exact in the diffusive regime and at moderate momentum transfers.
Asymptotic neutron scattering laws for anomalously diffusing quantum particles.
Kneller, Gerald R
2016-07-28
The paper deals with a model-free approach to the analysis of quasielastic neutron scattering intensities from anomalously diffusing quantum particles. All quantities are inferred from the asymptotic form of their time-dependent mean square displacements which grow ∝t(α), with 0 ≤ α < 2. Confined diffusion (α = 0) is here explicitly included. We discuss in particular the intermediate scattering function for long times and the Fourier spectrum of the velocity autocorrelation function for small frequencies. Quantum effects enter in both cases through the general symmetry properties of quantum time correlation functions. It is shown that the fractional diffusion constant can be expressed by a Green-Kubo type relation involving the real part of the velocity autocorrelation function. The theory is exact in the diffusive regime and at moderate momentum transfers. PMID:27475344
Water diffusion profile measurements in epoxy using neutron radiography
NASA Astrophysics Data System (ADS)
Lindsay, John T.; Matsubayashi, Masahito; Nurul Islam, Md.
1994-12-01
The diffusion characteristics of water in polymer materials have been studied for a few decades. Several methods have been developed to provide water diffusion characteristics as a function of time, temperature, pressure, or thickness of polymer. Unfortunately, most of these methods give the amount of water absorbed as a function of weight versus time at given environmental conditions. Concentration profiles of the water diffusion through the polymer have been unobtainable by these established methods. Neutron radiography is a method of non-destructive testing that has grown rapidly over the past ten years and is capable of giving these concentration profiles. Epoxy is one of the most commonly used polymers for which water diffusion information is important. In the automotive industry, epoxy is used both as a sealant and a bonder to prevent water from getting inside structures and causing corrosion. To prevent this corrosion, it is important to know the diffusion behavior of water in the epoxy adhesive.p ]This paper will demonstrate the use of high resolution neutron radiography as a viable method for the determination of the diffusion profile of water in commercially available epoxies. Aluminum coupons were constructed and joined together using four different epoxies. These coupons were then submerged in water. Neutron radiographs were made of the coupons as a function of total time submerged and water temperature. The weights of the coupons were also obtained as a function of submerged time for comparison with other methods. Four different epoxies were tested. Profiles of the water concentration are easily observed and measured.
Geometric Correction for Diffusive Expansion of Steady Neutron Transport Equation
NASA Astrophysics Data System (ADS)
Wu, Lei; Guo, Yan
2015-06-01
We revisit the diffusive limit of a steady neutron transport equation in a two-dimensional unit disk with one-speed velocity. A classical theorem by Bensoussan et al. (Publ Res Inst Math Sci 15(1):53-157, 1979) states that its solution can be approximated in L ∞ by the leading order interior solution plus the Knudsen layer in the diffusive limit. In this paper, we construct a counterexample to this result via a different boundary layer expansion with geometric correction.
Tsvetkov, Pavel; Dickerson, Bryan; French, Joseph; McEachern, Donald; Ougouag, Abderrafi
2014-04-30
Robust sensing technologies allowing for 3D in-core performance monitoring in real time are of paramount importance for already established LWRs to enhance their reliability and availability per year, and therefore, to further facilitate their economic competitiveness via predictive assessment of the in-core conditions.
Extrapolation techniques applied to matrix methods in neutron diffusion problems
NASA Technical Reports Server (NTRS)
Mccready, Robert R
1956-01-01
A general matrix method is developed for the solution of characteristic-value problems of the type arising in many physical applications. The scheme employed is essentially that of Gauss and Seidel with appropriate modifications needed to make it applicable to characteristic-value problems. An iterative procedure produces a sequence of estimates to the answer; and extrapolation techniques, based upon previous behavior of iterants, are utilized in speeding convergence. Theoretically sound limits are placed on the magnitude of the extrapolation that may be tolerated. This matrix method is applied to the problem of finding criticality and neutron fluxes in a nuclear reactor with control rods. The two-dimensional finite-difference approximation to the two-group neutron fluxes in a nuclear reactor with control rods. The two-dimensional finite-difference approximation to the two-group neutron-diffusion equations is treated. Results for this example are indicated.
Computation of neutron fluxes in clusters of fuel pins arranged in hexagonal assemblies (2D and 3D)
Prabha, H.; Marleau, G.
2012-07-01
For computations of fluxes, we have used Carvik's method of collision probabilities. This method requires tracking algorithms. An algorithm to compute tracks (in 2D and 3D) has been developed for seven hexagonal geometries with cluster of fuel pins. This has been implemented in the NXT module of the code DRAGON. The flux distribution in cluster of pins has been computed by using this code. For testing the results, they are compared when possible with the EXCELT module of the code DRAGON. Tracks are plotted in the NXT module by using MATLAB, these plots are also presented here. Results are presented with increasing number of lines to show the convergence of these results. We have numerically computed volumes, surface areas and the percentage errors in these computations. These results show that 2D results converge faster than 3D results. The accuracy on the computation of fluxes up to second decimal is achieved with fewer lines. (authors)
NASA Astrophysics Data System (ADS)
Tiwari, Anand P.; Yoo, Heejoun; Lee, Jeongtaik; Kim, Doyoung; Park, Jong Hyeok; Lee, Hyoyoung
2015-07-01
We report new three-dimensional (3D)-nanostructured MoS2-carbonaceous materials in which MoS2 sheets are intercalated between the graphite layers that possess a multiply repeated graphite/MoS2/graphite structure which prevents the aggregation of MoS2 and diffusion of sulfur from carbonaceous materials, enhancing the cycling stability of Li-ion batteries. We developed an efficient and scalable process applicable to mass production for synthesizing non-aggregated MoS2-intercalated 3D hybrid-nanostructured graphite based on stress induced and microwave irradiation. X-ray diffraction, X-ray photospectroscopy, Raman spectroscopy, field emission scanning electron microscopy, and high-resolution transmission electron microscopy analyses demonstrated that the as-synthesized materials consisted of MoS2-intercalated 3D hybrid-nanostructured graphite platelets that had a multiply repeated graphite/MoS2/graphite structure. The obtained MoS2-graphite powder surpasses MoS2 as an anode material in terms of specific capacity, cyclic stability, and rate performances at high current densities for Li-ion batteries. The electrochemical impedance spectroscopy demonstrated that the graphite sheets not only reduced the contact resistance in the electrode but also facilitated electron transfer in the lithiation/delithiation processes. The superior electrochemical performances especially for the cycling stability of the Li-ion battery originate from prevention of the sulfur diffusion of the MoS2-intercalated 3D-nanostructured graphite.We report new three-dimensional (3D)-nanostructured MoS2-carbonaceous materials in which MoS2 sheets are intercalated between the graphite layers that possess a multiply repeated graphite/MoS2/graphite structure which prevents the aggregation of MoS2 and diffusion of sulfur from carbonaceous materials, enhancing the cycling stability of Li-ion batteries. We developed an efficient and scalable process applicable to mass production for synthesizing non
Adluru, Nagesh; Lee, Jee Eun; Lazar, Mariana; Lainhart, Janet E.; Alexander, Andrew L.
2011-01-01
We present a novel cosine series representation for encoding fiber bundles consisting of multiple 3D curves. The coordinates of curves are parameterized as coefficients of cosine series expansion. We address the issue of registration, averaging and statistical inference on curves in a unified Hilbert space framework. Unlike traditional splines, the proposed method does not have internal knots and explicitly represents curves as a linear combination of cosine basis. This simplicity in the representation enables us to design statistical models, register curves and perform subsequent analysis in a more unified statistical framework than splines. The proposed representation is applied in characterizing abnormal shape of white matter fiber tracts passing through the splenium of the corpus callosum in autistic subjects. For an arbitrary tract, a 19 degree expansion is usually found to be sufficient to reconstruct the tract with 60 parameters. PMID:23316267
Theoretical study of diffusion processes around a non-rotating neutron star
NASA Astrophysics Data System (ADS)
Andra, D.; Rosyid, M. F.
2014-10-01
The general relativistic diffusion process on curved space-time manifold around a non-rotating neutron star has been analyzed. The general relativistic diffusion equation of diffusive particles around non-rotating neutron star is derived by constructing phase space in the parametrization of observer time in the hyperbolic coordinate system. This diffusion equation describes the stochastic dynamic of particles around non-rotating neutron stars. In this work we also have studied the diffusion processes around a non-rotating neutron star for asymptotic case.
Ivanov, Konstantin L. Lukzen, Nikita N.; Sadovsky, Vladimir M.
2015-08-28
In this work, we treat spin-selective recombination of a geminate radical pair (RP) in a spherical “microreactor,” i.e., of a RP confined in a micelle, vesicle, or liposome. We consider the microreactor model proposed earlier, in which one of the radicals is located at the center of the micelle and the other one undergoes three-dimensional diffusion inside the micelle. In addition, we suggest a two-dimensional model, in which one of the radicals is located at the “pole” of the sphere, while the other one diffuses on the spherical surface. For this model, we have obtained a general analytical expression for the RP recombination yield in terms of the free Green function of two-dimensional diffusion motion. In turn, this Green function is expressed via the Legendre functions and thus takes account of diffusion over a restricted spherical surface and its curvature. The obtained expression allows one to calculate the RP recombination efficiency at an arbitrary magnetic field strength. We performed a comparison of the two models taking the same geometric parameters (i.e., the microreactor radius and the closest approach distance of the radicals), chemical reactivity, magnetic interactions in the RP and diffusion coefficient. Significant difference between the predictions of the two models is found, which is thus originating solely from the dimensionality effect: for different dimensionality of space, the statistics of diffusional contacts of radicals becomes different altering the reaction yield. We have calculated the magnetic field dependence of the RP reaction yield and chemically induced dynamic nuclear polarization of the reaction products at different sizes of the microreactor, exchange interaction, and spin relaxation rates. Interestingly, due to the intricate interplay of diffusional contacts of reactants and spin dynamics, the dependence of the reaction yield on the microreactor radius is non-monotonous. Our results are of importance for (i) interpreting
NASA Astrophysics Data System (ADS)
Ivanov, Konstantin L.; Sadovsky, Vladimir M.; Lukzen, Nikita N.
2015-08-01
In this work, we treat spin-selective recombination of a geminate radical pair (RP) in a spherical "microreactor," i.e., of a RP confined in a micelle, vesicle, or liposome. We consider the microreactor model proposed earlier, in which one of the radicals is located at the center of the micelle and the other one undergoes three-dimensional diffusion inside the micelle. In addition, we suggest a two-dimensional model, in which one of the radicals is located at the "pole" of the sphere, while the other one diffuses on the spherical surface. For this model, we have obtained a general analytical expression for the RP recombination yield in terms of the free Green function of two-dimensional diffusion motion. In turn, this Green function is expressed via the Legendre functions and thus takes account of diffusion over a restricted spherical surface and its curvature. The obtained expression allows one to calculate the RP recombination efficiency at an arbitrary magnetic field strength. We performed a comparison of the two models taking the same geometric parameters (i.e., the microreactor radius and the closest approach distance of the radicals), chemical reactivity, magnetic interactions in the RP and diffusion coefficient. Significant difference between the predictions of the two models is found, which is thus originating solely from the dimensionality effect: for different dimensionality of space, the statistics of diffusional contacts of radicals becomes different altering the reaction yield. We have calculated the magnetic field dependence of the RP reaction yield and chemically induced dynamic nuclear polarization of the reaction products at different sizes of the microreactor, exchange interaction, and spin relaxation rates. Interestingly, due to the intricate interplay of diffusional contacts of reactants and spin dynamics, the dependence of the reaction yield on the microreactor radius is non-monotonous. Our results are of importance for (i) interpreting
Ivanov, Konstantin L; Sadovsky, Vladimir M; Lukzen, Nikita N
2015-08-28
In this work, we treat spin-selective recombination of a geminate radical pair (RP) in a spherical "microreactor," i.e., of a RP confined in a micelle, vesicle, or liposome. We consider the microreactor model proposed earlier, in which one of the radicals is located at the center of the micelle and the other one undergoes three-dimensional diffusion inside the micelle. In addition, we suggest a two-dimensional model, in which one of the radicals is located at the "pole" of the sphere, while the other one diffuses on the spherical surface. For this model, we have obtained a general analytical expression for the RP recombination yield in terms of the free Green function of two-dimensional diffusion motion. In turn, this Green function is expressed via the Legendre functions and thus takes account of diffusion over a restricted spherical surface and its curvature. The obtained expression allows one to calculate the RP recombination efficiency at an arbitrary magnetic field strength. We performed a comparison of the two models taking the same geometric parameters (i.e., the microreactor radius and the closest approach distance of the radicals), chemical reactivity, magnetic interactions in the RP and diffusion coefficient. Significant difference between the predictions of the two models is found, which is thus originating solely from the dimensionality effect: for different dimensionality of space, the statistics of diffusional contacts of radicals becomes different altering the reaction yield. We have calculated the magnetic field dependence of the RP reaction yield and chemically induced dynamic nuclear polarization of the reaction products at different sizes of the microreactor, exchange interaction, and spin relaxation rates. Interestingly, due to the intricate interplay of diffusional contacts of reactants and spin dynamics, the dependence of the reaction yield on the microreactor radius is non-monotonous. Our results are of importance for (i) interpreting
Terryn, Christine; Garnotel, Roselyne; Jeannesson, Pierre; Sockalingum, Ganesh D.; Manfait, Michel; Perraut, François; Dinten, Jean-Marc; Koenig, Anne; Piot, Olivier
2016-01-01
During aging, alterations of extracellular matrix proteins contribute to various pathological phenotypes. Among these alterations, type I collagen cross-linking and associated glycation products accumulation over time detrimentally affects its physico-chemical properties, leading to alterations of tissue biomechanical stability. Here, different-age collagen 3D matrices using non-destructive and label-free biophotonic techniques were analysed to highlight the impact of collagen I aging on 3D constructs, at macroscopic and microscopic levels. Matrices were prepared with collagens extracted from tail tendons of rats (newborns, young and old adults) to be within the physiological aging process. The data of diffuse reflectance spectroscopy reveal that aging leads to an inhibition of fibril assembly and a resulting decrease of gel density. Investigations by confocal reflectance microscopy highlight poor-fibrillar structures in oldest collagen networks most likely related to the glycation products accumulation. Complementarily, an infrared analysis brings out marked spectral variations in the Amide I profile, specific of the peptidic bond conformation and for carbohydrates vibrations as function of collagen-age. Interestingly, we also highlight an unexpected behavior for newborn collagen, exhibiting poorly-organized networks and microscopic features close to the oldest collagen. These results demonstrate that changes in collagen optical properties are relevant for investigating the incidence of aging in 3D matrix models. PMID:26885896
Zemskova, Varvara; Garaud, Pascale; Deal, Morgan; Vauclair, Sylvie
2014-11-10
Iron-rich layers are known to form in the stellar subsurface through a combination of gravitational settling and radiative levitation. Their presence, nature, and detailed structure can affect the excitation process of various stellar pulsation modes and must therefore be modeled carefully in order to better interpret Kepler asteroseismic data. In this paper, we study the interplay between atomic diffusion and fingering convection in A-type stars, as well as its role in the establishment and evolution of iron accumulation layers. To do so, we use a combination of three-dimensional idealized numerical simulations of fingering convection (which neglect radiative transfer and complex opacity effects) and one-dimensional realistic stellar models. Using the three-dimensional simulations, we first validate the mixing prescription for fingering convection recently proposed by Brown et al. (within the scope of the aforementioned approximation) and identify what system parameters (total mass of iron, iron diffusivity, thermal diffusivity, etc.) play a role in the overall evolution of the layer. We then implement the Brown et al. prescription in the Toulouse-Geneva Evolution Code to study the evolution of the iron abundance profile beneath the stellar surface. We find, as first discussed by Théado et al., that when the concurrent settling of helium is ignored, this accumulation rapidly causes an inversion in the mean molecular weight profile, which then drives fingering convection. The latter mixes iron with the surrounding material very efficiently, and the resulting iron layer is very weak. However, taking helium settling into account partially stabilizes the iron profile against fingering convection, and a large iron overabundance can accumulate. The opacity also increases significantly as a result, and in some cases it ultimately triggers dynamical convection. The direct effects of radiative acceleration on the dynamics of fingering convection (especially in the
NASA Technical Reports Server (NTRS)
Zhang, Jun; Ge, Lixin; Kouatchou, Jules
2000-01-01
A new fourth order compact difference scheme for the three dimensional convection diffusion equation with variable coefficients is presented. The novelty of this new difference scheme is that it Only requires 15 grid points and that it can be decoupled with two colors. The entire computational grid can be updated in two parallel subsweeps with the Gauss-Seidel type iterative method. This is compared with the known 19 point fourth order compact differenCe scheme which requires four colors to decouple the computational grid. Numerical results, with multigrid methods implemented on a shared memory parallel computer, are presented to compare the 15 point and the 19 point fourth order compact schemes.
NASA Astrophysics Data System (ADS)
Hudspeth, J. M.; Goossens, D. J.
2012-01-01
A new vial-in-vial vapour diffusion method for growing single crystals of fully deuterated triglycine sulphate (TGS) has been developed. Single crystals of hydrogenous TGS were also grown for comparison purposes. The crystals have been characterised using x-ray diffraction and differential scanning calorimetry. The phase transition temperature was 334.0±0.5 K for fully deuterated TGS compared to 322.3±0.3 K for hydrogenous TGS. These values compare well with the expected TC.
3D He-3 diffusion MRI as a local in vivo morphometric tool to evaluate emphysematous rat lungs
Jacob, Rick E.; Minard, Kevin R.; Laicher, Gernot J.; Timchalk, Charles
2008-08-21
In this work, we validate 3He magnetic resonance imaging as a non-invasive morphometric tool to assess emphysematous disease state on a local level. Emphysema was induced intratracheally in rats with 25U/100g body weight of porcine pancreatic elastase dissolved in 200 μL saline. Rats were then paired with saline-dosed controls. Nine three-dimensional 3He diffusion-weighted images were acquired at one-, two-, or three-weeks post-dose, after which the lungs were harvested and prepared for histological analysis. Recently introduced indices sensitive to the heterogeneity of the airspace size distribution were calculated. These indices, D1 and D2, were derived from the moments of the mean equivalent airway diameters. Averaged over the entire lung, it is shown that the 3He diffusivity (Dave) and anisotropy (Dan) both correlate with histology (R = 0.85, p < 0.0001 and R = 0.88, p < 0.0001, respectively). By matching small (0.046 cm2) regions in 3He images with corresponding regions in histological slices, Dave and Dan each correlate significantly with both D1 and D2 (R = 0.93, p < 0.0001). It is concluded that 3He MRI is a viable non-invasive morphometric tool for localized in vivo emphysema assessment.
Karim, Alamgir; Bucknall, David; Raghavan, Dharmaraj
2015-02-23
a fundamental study that does not set out to evaluate new materials or produce devices, but rather we wish to understand from first principles how the molecular structure of polymer-fullerene mixtures determined using neutron scattering (small angle neutron scattering and neutron reflection) affects device characteristics and consequently performance. While this seems a very obvious question to ask, this critical understanding is far from being realized despite the wealth of studies into OPV’s and is severely limiting organic PV devices from achieving their theoretical potential. Despite the fundamental nature of proposed work, it is essential to remain technologically relevant and therefore to ensure we address these issues we have developed relationships on the fundamental nature of structure-processing-property paradigm as applied to future need for large area, flexible OPV devices. Nanoscale heterojunction systems consisting of fullerenes dispersed in conjugated polymers are promising materials candidates for achieving high performance organic photovoltaic (OPV) devices. In order to understand the phase behavior in these devices, neutron reflection is used to determine the behavior of model conjugated polymer-fullerene mixtures. Neutron reflection is particularly useful for these types of thin film studies since the fullerene generally have a high scattering contrast with respect to most polymers. We are studying model bulk heterojunction (BHJ) films based on mixtures of poly(3-hexyl thiophene)s (P3HT), a widely used photoconductive polymer, and different fullerenes (C60, PCBM and bis-PCBM). The characterization technique of neutron reflectivity measurements have been used to determine film morphology in a direction normal to the film surfaces. The novelty of the approach over previous studies is that the BHJ layer is sandwiched between a PEDOT/PSS and Al layers in real device configuration. Using this model system, the effect of typical thermal annealing
NASA Astrophysics Data System (ADS)
Zhang, Weian; Wang, Long; Dong, Qixin
2011-06-01
The omni-directional laser warning equipment based on infrared fish-eye lens and short-wave infrared FPA has been used to protect large-scale targets, which can detect the threat laser scattered by the attacked targets or the objects surrounding them, and image the laser spot on FPA, then fix the position of spot. The application offsets the disadvantage of direct interception warner which need disposed largely. Before study of imaging mechanism about the scattered laser spot, the definition of geometry relationship is needed firstly. In this paper we developed a 3D geometry model by analyzing the position relationships in typical battlefield environment among the enemy's threat laser source, the laser spot radiated on one flat surface and our omni-directional laser warning fish-eye lens. The model including R, α, β, d, θ, φ, ψ, δ etc. 8 parameters and 4 coordinate systems was suitable for any general situations. After achievement of the model foundation, we obtained analytic expression of the laser spot contour on flat surface, then attained analytic expression of spot contour on image surface by calculating the object space half-field angle and the azimuth angle relative to fish-eye lens of an arbitrary point at the spot edge on flat surface. The attainment of the expression makes possible that we can analyze the spot energy distributions on image surface and the imaging characteristic of the scattered laser spot via fish-eye lens, then can compute the transmission direction of the threat laser. The foundation of the model in this paper has an importantly basic and guiding meaning to the latter research on this aspect.
Kim, Tae-Yoo; Son, Hwa-Jin; Lim, Seung-Kyu; Song, Young-Il; Park, Hwa-Sun; Suh, Su-Jeong
2014-12-01
Electroless Ni-P films were investigated with the aim of application as barrier and seed layers in 3D interconnect technology. Different shapes of blind-via holes were fabricated with a deep reactive ion etcher and SiO2 formed on these holes as an insulating layer. The surface of the substrate has been made hydrophilic by O2 plasma treatment with 100 W of power for 20 min. Electroless Ni-P films were deposited as both a diffusion barrier and a seed layer for Cu filling process. Prior to plating, substrates were activated in a palladium chloride solution after sensitization in a tin chloride solution with various conditions in order to deposit uniform films in TSV. After the formation of the electroless barrier layer, electro Cu was plated directly on the barrier layer. Ni-P films fabricated in blind-via holes were observed by scanning electron microscope. Energy dispersive spectroscopy line scanning was carried out for evaluating the diffusion barrier properties of the Ni-P films. The electroless Ni-P layer worked well as a Cu diffusion barrier until 300 degrees C. However, Cu ions diffused into barrier layer when the annealing temperature increases over 400 degrees C. PMID:25971093
Cullen, D E
1998-11-22
TART98 is a coupled neutron-photon, 3 Dimensional, combinatorial geometry, time dependent Monte Carlo radiation transport code. This code can run on any modern computer. It is a complete system to assist you with input preparation, running Monte Carlo calculations, and analysis of output results. TART98 is also incredibly FAST; if you have used similar codes, you will be amazed at how fast this code is compared to other similar codes. Use of the entire system can save you a great deal of time and energy. TART98 is distributed on CD. This CD contains on-line documentation for all codes included in the system, the codes configured to run on a variety of computers, and many example problems that you can use to familiarize yourself with the system. TART98 completely supersedes all older versions of TART, and it is strongly recommended that users only use the most recent version of TART98 and its data files.
NASA Astrophysics Data System (ADS)
Monga, O.; Garnier, P.; Pot, V.; Coucheney, E.; Nunan, N.; Otten, W.; Chenu, C.
2013-10-01
This paper deals with the simulation of microbial degradation in soil within pore space at microscopic scale. Pore space was described using sphere network coming from a geometrical modeling algorithm. The biological model was improved regarding previous work in order to include transformation of dissolved organic compounds and diffusion processes. Our model was tested using experimental results of a simple substrate decomposition (Fructose) within a simple media (the sand). Diverse microbial communities were inoculated. Separated incubations in microcosms were carried out using 5 different bacterial communities at 2 different water potentials of -10 cm and -100 cm of water. We calibrated the biological parameters by means of experimental data obtained at high water content and we tested the model without any parameters change at low water content. Same as for experimental data, our simulation results showed the decrease in water content involved the decrease of mineralisation. The model was able to simulate the decrease of connectivity between substrate and microorganism due the decrease of water content.
NASA Astrophysics Data System (ADS)
Monga, O.; Garnier, P.; Pot, V.; Coucheney, E.; Nunan, N.; Otten, W.; Chenu, C.
2014-04-01
This paper deals with the simulation of microbial degradation of organic matter in soil within the pore space at a microscopic scale. Pore space was analysed with micro-computed tomography and described using a sphere network coming from a geometrical modelling algorithm. The biological model was improved regarding previous work in order to include the transformation of dissolved organic compounds and diffusion processes. We tested our model using experimental results of a simple substrate decomposition experiment (fructose) within a simple medium (sand) in the presence of different bacterial strains. Separate incubations were carried out in microcosms using five different bacterial communities at two different water potentials of -10 and -100 cm of water. We calibrated the biological parameters by means of experimental data obtained at high water content, and we tested the model without changing any parameters at low water content. Same as for the experimental data, our simulation results showed that the decrease in water content caused a decrease of mineralization rate. The model was able to simulate the decrease of connectivity between substrate and microorganism due the decrease of water content.
Doll, A; Abu Eid, M; Kehrli, P; Esposito, P; Gillis, C; Bogorin, A; Jacques, C; Dietemann, J L
2000-06-01
We propose to assess the usefulness of diffusion-weighted MR Imaging (DWI), fluid-attenuated inversion recovery (FLAIR) and constructive interference in steady state (CISS) sequences in depicting epidermoid cysts (EC). FLAIR, CISS and DWI were obtained in 7 patients among 22. All patients were studied with T1 and T2 sequences. On Spin Echo images, EC demonstrate signal similar to LCS, which may lead to difficult differentiation between EC and arachnoid cyst (AC), specially for inexperienced radiologists. EC appear with a heterogeneous signal on T1 images (32%), irregular limits (91%) and with extension through foramen of Pacchioni in 18% of cases. On FLAIR sequence, the tumors were heterogeneous, different from void signal of CSF in 86% of cases. On CISS sequence, the tumors appear heterogeneous, hyperintense but less than LCS and with irregular limits in all cases. Some more, CISS images allowed to appreciate exact tumor extension and their relations with nerves and vessels. On DWI images, signal is hyperintense in all cases. Our study exhibited the great usefulness of DWI, CISS and FLAIR sequences in diagnosis of EC and in differentiating EC from AC. PMID:10970961
NASA Astrophysics Data System (ADS)
Cunningham, G.; Tu, W.; Morley, S.; Chen, Y.; Haidecuk, J.; De Pascuale, S.; Kletzing, C.
2014-12-01
Modeling the variation of the MeV electron phase space density in the inner magnetosphere during active times is sensitive to many parameters, including the initial and time-varying boundary conditions, VLF wave spectral properties, plasma density, and magnetic field. Historically, diffusion codes like LANL's DREAM3D have relied on the statistically-derived dependence of these parameters on geomagnetic indices, e.g. the wave intensity as a function of the AE index. However, the large number of satellites currently sampling the inner magnetosphere presents modelers with an unparalleled opportunity to create 'event-specific' models for many of these parameters. Toward this goal, we recently showed that using an event-specific model of the chorus wave intensity, built from proxy observations of low-energy electron precipitation observed by POES, along with a low-energy time-varying boundary condition informed by the Van Allen Probes, allows DREAM3D to reproduce the large enhancement of PSD for MeV electrons observed during the October 8-9, 2012, storm. One major limitation of this work is the fact that we used the static Sheeley plasma density model and a dipole magnetic field. Here we will discuss new results that use measurements of the plasma density inferred from the Van Allen Probes' EMFISIS instrument to build an event-specific, global, time-dependent model of the plasma density that we use in DREAM3D in combination with the Tsyganenko 2004 storm-time model of the magnetic field. We show that this combination of plasma density and magnetic field model reproduce the ratio of cyclotron frequency to plasma frequency reported by EMFISIS during the entirety of the October 8-9, 2012, storm at all L-shells of interest, whereas our earlier results did not use the correct ratio at most locations and times. Because this ratio is a key parameter governing the effectiveness of chorus waves in accelerating electrons to higher energy, our new DREAM3D results resolve several
NASA Astrophysics Data System (ADS)
Cunningham, G.; Tu, W.; Chen, Y.; Reeves, G. D.; Henderson, M. G.; Baker, D. N.; Blake, J. B.; Spence, H.
2013-12-01
During the interval October 8-9, 2012, the phase-space density (PSD) of high-energy electrons exhibited a dropout preceding an intense enhancement observed by the MagEIS and REPT instruments aboard the Van Allen Probes. The evolution of the PSD suggests heating by chorus waves, which were observed to have high intensities at the time of the enhancement [1]. Although intense chorus waves were also observed during the first Dst dip on October 8, no PSD enhancement was observed at this time. We demonstrate a quantitative reproduction of the entire event that makes use of three recent modifications to the LANL DREAM3D diffusion code: 1) incorporation of a time-dependent, low-energy, boundary condition from the MagEIS instrument, 2) use of a time-dependent estimate of the chorus wave intensity derived from observations of POES low-energy electron precipitation, and 3) use of an estimate of the last closed drift shell, beyond which electrons are assumed to have a lifetime that is proportional to their drift period around earth. The key features of the event are quantitatively reproduced by the simulation, including the dropout on October 8, and a rapid increase in PSD early on October 9, with a peak near L*=4.2. The DREAM3D code predicts the dropout on October 8 because this feature is dominated by magnetospheric compression and outward radial diffusion-the L* of the last closed drift-shell reaches a minimum value of 5.33 at 1026 UT on October 8. We find that a ';statistical' wave model based on historical CRRES measurements binned in AE* does not reproduce the enhancement because the peak wave amplitudes are only a few 10's of pT, whereas an ';event-specific' model reproduces both the magnitude and timing of the enhancement very well, a s shown in the Figure, because the peak wave amplitudes are 10x higher. [1] 'Electron Acceleration in the Heart of the Van Allen Radiation Belts', G. D. Reeves et al., Science 1237743, Published online 25 July 2013 [DOI:10.1126/science
Bertozzi, William; Hasty, Richard; Klimenko, Alexei; Korbly, Stephen E.; Ledoux, Robert J.; Park, William
2009-03-10
Four new technologies have been developed for use in non-intrusive inspection systems to detect nuclear materials, explosives and contraband. Nuclear Resonance Fluorescence (NRF) provides a three dimensional image of the isotopic content of a container. NRF determines the isotopic composition of a region and specifies the isotopic structure of the neighboring regions, thus providing the detailed isotopic composition of any threat. In transmission mode, NRF provides a two dimensional projection of the isotopic content of a container, much as standard X-ray radiography provides for density. The effective-Z method (EZ-3D) uses electromagnetic scattering processes to yield a three-dimensional map of the effective-Z and the density in a container. The EZ-3D method allows for a rapid discrimination based on effective Z and mass of materials such as those with high Z, as well as specifying regions of interest for other contraband. The energy spectrum of prompt neutrons from photon induced fission (PNPF) provides a unique identification of the presence of actinides and SNM. These four new technologies can be used independently or together to automatically determine the presence of hazardous materials or contraband. They can also be combined with other technologies to provide added specificity.
NASA Astrophysics Data System (ADS)
He, Jie; Weersink, Robert; Veilleux, Israel; Mayo, Kenwrick; Zhang, Anqi; Piao, Daqing; Alam, Adeel; Trachtenberg, John; Wilson, Brian C.
2013-03-01
Interstitial near-infrared laser thermal therapy (LITT) is currently undergoing clinical trials as an alternative to watchful waiting or radical surgery in patients with low-risk focal prostate cancer. Currently, we use magnetic resonance image (MRI)-based thermography to monitor treatment delivery and determine indirectly the completeness of the target tissue destruction while avoiding damage to adjacent normal tissues, particularly the rectal wall. However, incomplete tumor destruction has occurred in a significant fraction of patients due to premature termination of treatment, since the photocoagulation zone is not directly observed. Hence, we are developing transrectal diffuse optical tomography (TRDOT), in combination with transrectal 3D ultrasound (3D-TRUS), to address his limitation. This is based on the large changes in optical scattering expected upon tissue coagulation. Here, we present forward simulations of a growing coagulated lesion with optical scattering contrast, using an established finite element analysis software platform (NIRFAST). The simulations were validated in tissue-simulating phantoms, with measurements acquired by a state-of-the-art continuous wave (CW) TRDOT system and a recently assembled bench-top CW-DOT system, with specific source-detector configurations. Two image reconstruction schemes were investigated and evaluated, specifically for the accurate delineation of the posterior boundary of the coagulation zone as the critical parameter for treatment guidance in this clinical application.
NASA Astrophysics Data System (ADS)
Bergeon, N.; Mota, F. L.; Chen, L.; Tourret, D.; Debierre, J. M.; Guérin, R.; Karma, A.; Billia, B.; Trivedi, R.
2015-06-01
To clarify and characterize the fundamental physical mechanisms active in the dynamical formation of three-dimensional (3D) arrays of cells and dendrites under diffusive growth conditions, in situ monitoring of series of experiments on transparent model alloy succinonitrile - 0.24 wt% camphor was carried out under low gravity in the DECLIC Directional Solidification Insert on-board the International Space Station. These experiments offered the very unique opportunity to in situ observe and characterize the whole development of the microstructure in extended 3D patterns. The experimental methods will be first briefly described, including in particular the observation modes and the image analysis procedures developed to quantitatively characterize the patterns. Microgravity environment provided the conditions to get quantitative benchmark data: homogeneous patterns corresponding to homogeneous values of control parameters along the whole interface were obtained. The sequence of microstructure formation will be presented as well as the evolution of the primary spacing which is one of the most important pattern characteristic. Time evolution of this primary spacing during the microstructure development will be analysed to identify the mechanisms of spacing selection and adjustment; the importance of the macroscopic interfacial curvature will be pointed out.
NASA Technical Reports Server (NTRS)
Bune, Andris V.; Gillies, Donald C.; Lehoczky, Sandor L.
1998-01-01
Numerical simulation of the HgCdTe growth by the vertical Bridgman method was performed using FIDAP finite element code. Double-diffusive melt convection is analyzed, as the primary factor at controls inhomogeneity of the solidified material. Temperature and concentration fields in the model are also coupled via material properties, such as thermal and solutal expansion coefficients with the dependence on both temperature and concentration, and melting temperature evaluation from pseudobinary CdTe-HgTe phase diagram. Experimental measurements were used to obtain temperature boundary conditions. Parametric study of the melt convection dependence on the gravity conditions was undertaken. It was found, that the maximum convection velocity in the melt can be reduced under certain conditions. Optimal conditions to obtain a near flat solidified interface are discussed. The predicted interface shape is in agreement with one obtained experimentally by quenching. The results of 3-D calculations are compared with previous 2- D findings. A video film featuring 3-D melt convection will be presented.
A Numerical Model for Coupling of Neutron Diffusion and Thermomechanics in Fast Burst Reactors
Samet Y. Kadioglu; Dana A. Knoll; Cassiano De Oliveira
2008-11-01
We develop a numerical model for coupling of neutron diffusion adn termomechanics in order to stimulate transient behavior of a fast burst reactor. The problem involves solving a set of non-linear different equations which approximate neutron diffusion, temperature change, and material behavior. With this equation set we will model the transition from a supercritical to subcritical state and possible mechanical vibration.
Calculation of the neutron diffusion equation by using Homotopy Perturbation Method
NASA Astrophysics Data System (ADS)
Koklu, H.; Ersoy, A.; Gulecyuz, M. C.; Ozer, O.
2016-03-01
The distribution of the neutrons in a nuclear fuel element in the nuclear reactor core can be calculated by the neutron diffusion theory. It is the basic and the simplest approximation for the neutron flux function in the reactor core. In this study, the neutron flux function is obtained by the Homotopy Perturbation Method (HPM) that is a new and convenient method in recent years. One-group time-independent neutron diffusion equation is examined for the most solved geometrical reactor core of spherical, cubic and cylindrical shapes, in the frame of the HPM. It is observed that the HPM produces excellent results consistent with the existing literature.
Iso-geometric analysis for neutron diffusion problems
Hall, S. K.; Eaton, M. D.; Williams, M. M. R.
2012-07-01
Iso-geometric analysis can be viewed as a generalisation of the finite element method. It permits the exact representation of a wider range of geometries including conic sections. This is possible due to the use of concepts employed in computer-aided design. The underlying mathematical representations from computer-aided design are used to capture both the geometry and approximate the solution. In this paper the neutron diffusion equation is solved using iso-geometric analysis. The practical advantages are highlighted by looking at the problem of a circular fuel pin in a square moderator. For this problem the finite element method requires the geometry to be approximated. This leads to errors in the shape and size of the interface between the fuel and the moderator. In contrast to this iso-geometric analysis allows the interface to be represented exactly. It is found that, due to a cancellation of errors, the finite element method converges more quickly than iso-geometric analysis for this problem. A fuel pin in a vacuum was then considered as this problem is highly sensitive to the leakage across the interface. In this case iso-geometric analysis greatly outperforms the finite element method. Due to the improvement in the representation of the geometry iso-geometric analysis can outperform traditional finite element methods. It is proposed that the use of iso-geometric analysis on neutron transport problems will allow deterministic solutions to be obtained for exact geometries. Something that is only currently possible with Monte Carlo techniques. (authors)
Neutron Scattering Study of the S=1/2 Heisenberg AFM Chain Cu(C_6D_5COO)2 \\cdot 3D_2O
NASA Astrophysics Data System (ADS)
Dender, D. C.; Reich, D. H.; Broholm, C.; Lefmann, K.; Aeppli, G.
1996-03-01
Quasi-one-dimensional magnetic materials provide the opportunity to test rigorously models of simple, interacting many-body systems. We present triple-axis neutron scattering measurements of the temperature and magnetic field dependence of spin correlations in the quasi-1D S=1/2 Heisenberg antiferromagnet Cu(C_6D_5COO)2 \\cdot3D_2O. We have measured the temperature evolution of the spin-spin correlation length κ over the temperature range 0.1J < k_BT < 0.8J, where J is the nearest-neighbor coupling strength. Measurements of S^zz(q = π , ω , T) are found to be described by a finite temperature field theory.(H. J. Schulz, Phys. Rev. B 34), 6372 (1986). At high magnetic fields, new features are observed close to q=π consistent with predictions of non-classical behavior.(N. Ishimura and H. Shiba, Prog. Theor. Phys. Jpn. 57), 1862 (1977).^,(G. Müller, H. Thomas, H. Beck, and J. C. Bonner, Phys. Rev. B 24), 1429 (1981). ^*supported by NSF Grants DMR93-02065 and DMR94-53362, and by the David and Lucile Packard Foundation.
Cooperative learning of neutron diffusion and transport theories
Robinson, Michael A.
1999-04-30
A cooperative group instructional strategy is being used to teach a unit on neutron transport and diffusion theory in a first-year-graduate level, Reactor Theory course that was formerly presented in the traditional lecture/discussion style. Students are divided into groups of two or three for the duration of the unit. Class meetings are divided into traditional lecture/discussion segments punctuated by cooperative group exercises. The group exercises were designed to require the students to elaborate, summarize, or practice the material presented in the lecture/discussion segments. Both positive interdependence and individual accountability are fostered by adjusting individual grades on the unit exam by a factor dependent upon group achievement. Group collaboration was also encouraged on homework assignments by assigning each group a single grade on each assignment. The results of the unit exam have been above average in the two classes in which the cooperative group method was employed. In particular, the problem solving ability of the students has shown particular improvement. Further,the students felt that the cooperative group format was both more educationally effective and more enjoyable than the lecture/discussion format.
Gignac, Paul M; Kley, Nathan J; Clarke, Julia A; Colbert, Matthew W; Morhardt, Ashley C; Cerio, Donald; Cost, Ian N; Cox, Philip G; Daza, Juan D; Early, Catherine M; Echols, M Scott; Henkelman, R Mark; Herdina, A Nele; Holliday, Casey M; Li, Zhiheng; Mahlow, Kristin; Merchant, Samer; Müller, Johannes; Orsbon, Courtney P; Paluh, Daniel J; Thies, Monte L; Tsai, Henry P; Witmer, Lawrence M
2016-06-01
Morphologists have historically had to rely on destructive procedures to visualize the three-dimensional (3-D) anatomy of animals. More recently, however, non-destructive techniques have come to the forefront. These include X-ray computed tomography (CT), which has been used most commonly to examine the mineralized, hard-tissue anatomy of living and fossil metazoans. One relatively new and potentially transformative aspect of current CT-based research is the use of chemical agents to render visible, and differentiate between, soft-tissue structures in X-ray images. Specifically, iodine has emerged as one of the most widely used of these contrast agents among animal morphologists due to its ease of handling, cost effectiveness, and differential affinities for major types of soft tissues. The rapid adoption of iodine-based contrast agents has resulted in a proliferation of distinct specimen preparations and scanning parameter choices, as well as an increasing variety of imaging hardware and software preferences. Here we provide a critical review of the recent contributions to iodine-based, contrast-enhanced CT research to enable researchers just beginning to employ contrast enhancement to make sense of this complex new landscape of methodologies. We provide a detailed summary of recent case studies, assess factors that govern success at each step of the specimen storage, preparation, and imaging processes, and make recommendations for standardizing both techniques and reporting practices. Finally, we discuss potential cutting-edge applications of diffusible iodine-based contrast-enhanced computed tomography (diceCT) and the issues that must still be overcome to facilitate the broader adoption of diceCT going forward. PMID:26970556
Gao, Yurui; Parvathaneni, Prasanna; Schilling, Kurt G.; Wang, Feng; Stepniewska, Iwona; Xu, Zhoubing; Choe, Ann S.; Ding, Zhaohua; Gore, John C.; Chen, Li Min; Landman, Bennett A.; Anderson, Adam W.
2016-01-01
Modern magnetic resonance imaging (MRI) brain atlases are high quality 3-D volumes with specific structures labeled in the volume. Atlases are essential in providing a common space for interpretation of results across studies, for anatomical education, and providing quantitative image-based navigation. Extensive work has been devoted to atlas construction for humans, macaque, and several non-primate species (e.g., rat). One notable gap in the literature is the common squirrel monkey – for which the primary published atlases date from the 1960’s. The common squirrel monkey has been used extensively as surrogate for humans in biomedical studies, given its anatomical neuro-system similarities and practical considerations. This work describes the continued development of a multi-modal MRI atlas for the common squirrel monkey, for which a structural imaging space and gray matter parcels have been previously constructed. This study adds white matter tracts to the atlas. The new atlas includes 49 white matter (WM) tracts, defined using diffusion tensor imaging (DTI) in three animals and combines these data to define the anatomical locations of these tracks in a standardized coordinate system compatible with previous development. An anatomist reviewed the resulting tracts and the inter-animal reproducibility (i.e., the Dice index of each WM parcel across animals in common space) was assessed. The Dice indices range from 0.05 to 0.80 due to differences of local registration quality and the variation of WM tract position across individuals. However, the combined WM labels from the 3 animals represent the general locations of WM parcels, adding basic connectivity information to the atlas. PMID:27064328
NASA Astrophysics Data System (ADS)
Gao, Yurui; Parvathaneni, Prasanna; Schilling, Kurt G.; Wang, Feng; Stepniewska, Iwona; Xu, Zhoubing; Choe, Ann S.; Ding, Zhaohua; Gore, John C.; Chen, Li min; Landman, Bennett A.; Anderson, Adam W.
2016-03-01
Modern magnetic resonance imaging (MRI) brain atlases are high quality 3-D volumes with specific structures labeled in the volume. Atlases are essential in providing a common space for interpretation of results across studies, for anatomical education, and providing quantitative image-based navigation. Extensive work has been devoted to atlas construction for humans, macaque, and several non-primate species (e.g., rat). One notable gap in the literature is the common squirrel monkey - for which the primary published atlases date from the 1960's. The common squirrel monkey has been used extensively as surrogate for humans in biomedical studies, given its anatomical neuro-system similarities and practical considerations. This work describes the continued development of a multi-modal MRI atlas for the common squirrel monkey, for which a structural imaging space and gray matter parcels have been previously constructed. This study adds white matter tracts to the atlas. The new atlas includes 49 white matter (WM) tracts, defined using diffusion tensor imaging (DTI) in three animals and combines these data to define the anatomical locations of these tracks in a standardized coordinate system compatible with previous development. An anatomist reviewed the resulting tracts and the inter-animal reproducibility (i.e., the Dice index of each WM parcel across animals in common space) was assessed. The Dice indices range from 0.05 to 0.80 due to differences of local registration quality and the variation of WM tract position across individuals. However, the combined WM labels from the 3 animals represent the general locations of WM parcels, adding basic connectivity information to the atlas.
NASA Astrophysics Data System (ADS)
Journaux, Baptiste; Montagnat, Maurine; Chauve, Thomas; Ouladdiaf, Bachir; Allibon, John
2015-04-01
Dynamic recrystallization (DRX) strongly affects the evolution of microstructure (grain size and shape) and texture (crystal preferred orientation) in materials during deformation at high temperature. Since texturing leads to anisotropic physical properties, predicting the effect of DRX is essential for industrial applications, for interpreting geophysical data and modeling geodynamic flows, and predicting ice sheet flow and climate evolution. A large amount of literature is available related to metallurgy, geology or glaciology, but there remains overall fundamental questions about the relationship between nucleation, grain boundary migration and texture development at the microscopic scale. Previous measurements of DRX in ice were either conducted using 2D ex-situ techniques such as AITA [1,2] or Electron Backscattering Diffraction (EBSD) [3], or using 3D statistical ex-situ [4] or in-situ [5] techniques. Nevertheless, all these techniques failed to observe at the scale of nucleation processes during DRX in full 3D. Here we present a new approach using neutron Laue diffraction, which enable to perform 3D measurements of in-situ texture evolution of strained polycrystalline H2O ice (>2% at 266 K) during annealing at the microscopic scale. Thanks the CYCLOPS instrument [6] (Institut Laue Langevin Grenoble, France) and the intrinsic low background of this setup, preliminary observations enabled us to follow, in H2O ice, the evolution of serrated grain boundaries, and kink-band during annealing. Our observations show a significant evolution of the texture and internal misorientation over the course of few hours at an annealing temperature of 268.5 K. In the contrary, ice kink-band structures seem to be very stable over time at near melting temperatures. The same samples have been analyzed ex-situ using EBSD for comparison. These results represent a first step toward in-situ microscopic measurements of dynamic recrystallization processes in ice during strain. This
Diffusive Nuclear Burning of Helium on Neutron Stars
NASA Astrophysics Data System (ADS)
Chang, Philip; Bildsten, Lars; Arras, Phil
2010-11-01
Diffusive nuclear burning (DNB) of H by an underlying material capable of capturing protons can readily consume H from the surface of neutron stars (NSs) during their early cooling history. In the absence of subsequent accretion, it will be depleted from the photosphere. We now extend DNB to He, motivated by the recent observation by Ho & Heinke of a carbon atmosphere on the NS in the Cassiopeia A supernova remnant. We calculate the equilibrium structure of He on an underlying α capturing material, accounting for thermal, mass defect, and Coulomb corrections on the stratification of material with the same zeroth order μ e = A/Z. We show that Coulomb corrections dominate over thermal and mass defect corrections in the highly degenerate part of the envelope. We also show that the bulk of the He sits deep in the envelope rather than near the surface. Thus, even if the photospheric He abundance is low, the total He column could be substantially larger than the photospheric column, which may have implications for rapid surface evolution (≈1 yr timescales) of NSs. When nuclear reactions are taken into account, we find that for base temperatures gsim1.6 × 108 K, He is readily captured onto C. As these high temperatures are present during the early stages of NS evolution, we expect that the primordial He is completely depleted from the NS surface like the case for primordial H. We also find that magnetic fields lsim1012 G do not affect our conclusions. Armed with the results of this work and our prior efforts, we expect that primordial H and He are depleted, and so any observed H or He on the surfaces of these NS must be due to subsequent accretion (with or without spallation). If this subsequent accretion can be prevented, the underlying mid-Z material would be exposed.
Chen, J.; Alpan, F. A.; Fischer, G.A.; Fero, A.H.
2011-07-01
Traditional two-dimensional (2D)/one-dimensional (1D) SYNTHESIS methodology has been widely used to calculate fast neutron (>1.0 MeV) fluence exposure to reactor pressure vessel in the belt-line region. However, it is expected that this methodology cannot provide accurate fast neutron fluence calculation at elevations far above or below the active core region. A three-dimensional (3D) parallel discrete ordinates calculation for ex-vessel neutron dosimetry on a Westinghouse 4-Loop XL Pressurized Water Reactor has been done. It shows good agreement between the calculated results and measured results. Furthermore, the results show very different fast neutron flux values at some of the former plate locations and elevations above and below an active core than those calculated by a 2D/1D SYNTHESIS method. This indicates that for certain irregular reactor internal structures, where the fast neutron flux has a very strong local effect, it is required to use a 3D transport method to calculate accurate fast neutron exposure. (authors)
Evaluation of diffuse neutron scattering at elevated temperatures and local decomposition in Ni-Au
NASA Astrophysics Data System (ADS)
Portmann, M. J.; Schönfeld, B.; Kostorz, G.; Altorfer, F.; Kohlbrecher, J.
2003-07-01
It is demonstrated that in the diffuse neutron scattering of alloys at elevated temperatures (i) the temperature dependence of the linear absorption coefficient is the reason for problems encountered hitherto in the evaluation of diffuse wide-angle scattering and (ii) small-angle neutron scattering has to be corrected for thermal diffuse scattering. These corrections are applied to published data of Ni-8.4 at. % Au and Ni-9.6 at. % Ti and are used to firmly establish that local decomposition is also present in Au-rich Ni-Au above the miscibility gap.
Leone, Philippe Bellitto, Carlo; Bauer, Elvira M.; Righini, Guido; Andre, Gilles; Bouree, Francoise
2008-11-15
The crystal and magnetic structures of the hybrid organic-inorganic layer compound Fe[(CD{sub 3}PO{sub 3})(D{sub 2}O)] have been studied by neutron powder diffraction as a function of temperature down to 1.5 K. The neutron diffraction pattern recorded at 200 K shows that the fully deuterated compound crystallizes in one of the two known forms of the undeuterated Fe[(CH{sub 3}PO{sub 3})(H{sub 2}O)]. The crystal structure is orthorhombic, space group Pmn2{sub 1}, with the following unit-cell parameters: a=5.7095(1) A, b=8.8053(3) A and c=4.7987(1) A; Z=2. The crystal structure remains unchanged on cooling from 200 to 1.5 K. Moreover, at low temperature, Fe[(CD{sub 3}PO{sub 3})(D{sub 2}O)] shows a commensurate magnetic structure (k=(0,0,0)). As revealed by bulk susceptibility measurements on Fe[(CH{sub 3}PO{sub 3})(H{sub 2}O)], the magnetic structure corresponds to a canted antiferromagnet with a critical temperature T{sub N}=25 K. Neutron powder diffraction reveals that below T{sub N}=23.5 K the iron magnetic moments in Fe[(CD{sub 3}PO{sub 3})(D{sub 2}O)] are antiferromagnetically coupled and oriented along the b-axis, perpendicular to the inorganic layers. No ferromagnetic component is observable in the neutron powder diffraction experiment, due to its too small value (<0.1{mu}{sub B}). - Graphical abstract: Crystal structure and magnetic structure of Fe[(CD{sub 3}PO{sub 3})(D{sub 2}O)].
Self-diffusion and defect annihilation in nanocrystalline Fe films probed by neutron reflectometry
NASA Astrophysics Data System (ADS)
Chakravarty, Sujoy; Schmidt, Harald; Tietze, Ursula; Lott, Dieter; Lalla, N. P.; Gupta, Ajay
2009-07-01
Self-diffusion in ion-beam-sputtered nanocrystalline Fe is studied between 310 and 510°C , using neutron reflectometry on [Fnate(7nm)/F57e(3nm)]15 isotope multilayers. Neutron reflectometry has the advantage over other methods of diffusivity determination, that diffusion lengths on the order of 1 nm and below can be determined. This enables diffusion experiments in a nanostructure which is not significantly modified by grain growth during annealing. The determined diffusivities are time depended and decrease by more than two orders of magnitude during isothermal annealing. In early stages, diffusion is controlled by frozen-in nonequilibrium point defects (interstitials or vacancies) present after deposition. The decrease in the diffusivities can be attributed to the annihilation of these point defects. For very long annealing times the diffusivities above 400°C are in good agreement with volume diffusivities measured in single crystals given in literature. However, at a temperature of 400°C and below the diffusivities are still higher than extrapolated literature data also after more than 8 days of annealing, indicating that defect annihilation is still going on.
Neutron diffusion in graphite poisoned with 1/v and non-1/v absorbers
Malik, U.; Kothari, L.S.; Kumar, A.
1982-05-01
Neutron diffusion in graphite containing 1/v and non-1/v absorbers has been studied in the diffusion theory approximation using a multigroup (30-group) approach and the neutron scattering kernel proposed earlier by the authors. It is observed that, in this case as in the case of water investigated earlier, the behavior of neutrons in graphite poisoned with gadolinium is different from that in graphite poisoned with samarium or cadmium. To explain the reason for this difference, a hypothetical model for the energy variation of the absorption cross section has been constructed that closely resembles samarium in one limit and goes over to gadolinium in the other. The effect of varying the concentration of non-1/v absorbers on the flux of sub-Bragg and epicold neutrons has been studied for this model, and some interesting results are obtained.
NASA Astrophysics Data System (ADS)
Pletinckx, D.
2011-09-01
The current 3D hype creates a lot of interest in 3D. People go to 3D movies, but are we ready to use 3D in our homes, in our offices, in our communication? Are we ready to deliver real 3D to a general public and use interactive 3D in a meaningful way to enjoy, learn, communicate? The CARARE project is realising this for the moment in the domain of monuments and archaeology, so that real 3D of archaeological sites and European monuments will be available to the general public by 2012. There are several aspects to this endeavour. First of all is the technical aspect of flawlessly delivering 3D content over all platforms and operating systems, without installing software. We have currently a working solution in PDF, but HTML5 will probably be the future. Secondly, there is still little knowledge on how to create 3D learning objects, 3D tourist information or 3D scholarly communication. We are still in a prototype phase when it comes to integrate 3D objects in physical or virtual museums. Nevertheless, Europeana has a tremendous potential as a multi-facetted virtual museum. Finally, 3D has a large potential to act as a hub of information, linking to related 2D imagery, texts, video, sound. We describe how to create such rich, explorable 3D objects that can be used intuitively by the generic Europeana user and what metadata is needed to support the semantic linking.
The effect of thermal neutron field slagging caused by cylindrical BF3 counters in diffusion media
NASA Technical Reports Server (NTRS)
Gorshkov, G. V.; Tsvetkov, O. S.; Yakovlev, R. M.
1975-01-01
Computations are carried out in transport approximation (first collision method) for the attenuation of the field of thermal neutrons formed in counters of the CHM-8 and CHMO-5 type. The deflection of the thermal neutron field is also obtained near the counters and in the air (shade effect) and in various decelerating media (water, paraffin, plexiglas) for which the calculations are carried out on the basis of diffusion theory. To verify the calculations, the distribution of the density of the thermal neutrons at various distances from the counter in the water is measured.
Neutron diffusion in a randomly inhomogeneous multiplying medium with random phase approximation
Imre, Kaya; Akcasu, A. Ziya
2012-06-15
Neutron diffusion in a randomly inhomogeneous multiplying medium is studied. By making use of a random phase assumption we show that the average neutron density approximately satisfies an integral equation in Fourier space, which is solved using Kummer functions. We used multi-dimensional formulation. In the case of one dimension, we obtain the result of Rosenbluth and Tao for the mean total density for large t. In the three-dimensional case, a closed form of solution is derived for the mean total neutron density. Its asymptotic behavior is also investigated for large t.
Neutron diffusion in a randomly inhomogeneous multiplying medium with random phase approximation
NASA Astrophysics Data System (ADS)
Imre, Kaya; Akcasu, A. Ziya
2012-06-01
Neutron diffusion in a randomly inhomogeneous multiplying medium is studied. By making use of a random phase assumption we show that the average neutron density approximately satisfies an integral equation in Fourier space, which is solved using Kummer functions. We used multi-dimensional formulation. In the case of one dimension, we obtain the result of Rosenbluth and Tao for the mean total density for large t. In the three-dimensional case, a closed form of solution is derived for the mean total neutron density. Its asymptotic behavior is also investigated for large t.
Integro-differential diffusion equation and neutron scattering experiment
NASA Astrophysics Data System (ADS)
Sau Fa, Kwok
2015-02-01
An integro-differential diffusion equation with linear force, based on the continuous time random walk model, is considered. The equation generalizes the ordinary and fractional diffusion equations which includes short, intermediate and long-time memory effects. Analytical expression for the intermediate scattering function is obtained and applied to ribonucleic acid (RNA) hydration water data from torula yeast. The model can capture the dynamics of hydrogen atoms in RNA hydration water, including the long-relaxation times.
Heuser, Brent J; Trinkle, Dallas R; Jalarvo, Niina; Serio, Joseph; Schiavone, Emily J; Mamontov, Eugene; Tyagi, Madhusudan
2014-07-11
The temperature-dependent diffusivity D(T) of hydrogen solute atoms trapped at dislocations-dislocation pipe diffusion of hydrogen-in deformed polycrystalline PdH(x) (x∼10(-3) [H]/[Pd]) has been quantified with quasielastic neutron scattering between 150 and 400 K. We observe diffusion coefficients for trapped hydrogen elevated by one to two orders of magnitude above bulk diffusion. Arrhenius diffusion behavior has been observed for dislocation pipe diffusion and regular bulk diffusion, the latter in well-annealed polycrystalline Pd. For regular bulk diffusion of hydrogen in Pd we find D(T)=D(0)exp(-E(a)/kT)=0.005exp(-0.23 eV/kT) cm(2)/s, in agreement with the known diffusivity of hydrogen in Pd. For hydrogen dislocation pipe diffusion we find D(T)≃10(-5)exp(-E(a)/kT) cm(2)/s, where E(a)=0.042 and 0.083 eV for concentrations of 0.52×10(-3) and 1.13×10(-3)[H]/[Pd], respectively. Ab initio computations provide a physical basis for the pipe diffusion pathway and confirm the reduced barrier height. PMID:25062206
Lambda modes of the neutron diffusion equation in hexagonal geometry
Barrachina, T.; Ginestar, D.; Verdu, G.
2006-07-01
A nodal collocation method is proposed to compute the dominant Lambda modes of nuclear reactor core with a hexagonal geometry. This method is based on a triangular mesh and assumes that the neutronic flux can be approximated as a finite expansion in terms of Dubiner's polynomials. The method transforms the initial differential eigenvalue problem into a generalized algebraic one, from which the dominant modes of the reactor can be computed. The performance of the method is tested with two benchmark problems. (authors)
3d-3d correspondence revisited
NASA Astrophysics Data System (ADS)
Chung, Hee-Joong; Dimofte, Tudor; Gukov, Sergei; Sułkowski, Piotr
2016-04-01
In fivebrane compactifications on 3-manifolds, we point out the importance of all flat connections in the proper definition of the effective 3d {N}=2 theory. The Lagrangians of some theories with the desired properties can be constructed with the help of homological knot invariants that categorify colored Jones polynomials. Higgsing the full 3d theories constructed this way recovers theories found previously by Dimofte-Gaiotto-Gukov. We also consider the cutting and gluing of 3-manifolds along smooth boundaries and the role played by all flat connections in this operation.
Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement
Sakuma, Takashi Makhsun,; Sakai, Ryutaro; Xianglian; Takahashi, Haruyuki; Basar, Khairul; Igawa, Naoki; Danilkin, Sergey A.
2015-04-16
Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10 K and 295 K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295 K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.
NASA Technical Reports Server (NTRS)
Forman, M. A.
1975-01-01
It has been shown previously (Anath et al., 1973 and Kane, 1974) that 20 to 25% of days, the diffusion component of the cosmic-ray neutron diurnal anisotropy is directed more than 30 degrees away from the ecliptic projection of the interplanetary magnetic field averaged over the same 24 hours. A number of explanations for this deviation are discussed and it is concluded that transverse gradient drifts due to gradients perpendicular to the ecliptic are likely, that diurnal variations in the diffusion component of the neutron anisotropy may affect results from single stations and that the 24 hour mean interplanetary magnetic field may not be the field appropriate to the streaming equation at neutron monitor energies.
NASA Astrophysics Data System (ADS)
Meulien Ohlmann, Odile
2013-02-01
Today the industry offers a chain of 3D products. Learning to "read" and to "create in 3D" becomes an issue of education of primary importance. 25 years professional experience in France, the United States and Germany, Odile Meulien set up a personal method of initiation to 3D creation that entails the spatial/temporal experience of the holographic visual. She will present some different tools and techniques used for this learning, their advantages and disadvantages, programs and issues of educational policies, constraints and expectations related to the development of new techniques for 3D imaging. Although the creation of display holograms is very much reduced compared to the creation of the 90ies, the holographic concept is spreading in all scientific, social, and artistic activities of our present time. She will also raise many questions: What means 3D? Is it communication? Is it perception? How the seeing and none seeing is interferes? What else has to be taken in consideration to communicate in 3D? How to handle the non visible relations of moving objects with subjects? Does this transform our model of exchange with others? What kind of interaction this has with our everyday life? Then come more practical questions: How to learn creating 3D visualization, to learn 3D grammar, 3D language, 3D thinking? What for? At what level? In which matter? for whom?
Comparison of neutron diffusion and Monte Carlo models for a fission wave
Osborne, A. G.; Deinert, M. R.
2013-07-01
Many groups have used neutron diffusion simulations to study fission wave phenomena in natural or depleted uranium. However, few studies of fission wave phenomena have been published that use Monte Carlo simulations to confirm the results of diffusion models for this type of system. In the present work we show the results of a criticality and burnup simulation of a traveling wave reactor using MCNPX 2.7.0. The characteristics of the fission wave in this simulation are compared with those from a simple one-dimensional, one-group neutron diffusion model. The diffusion simulations produce a wave speed of 5.9 cm/yr versus 5.3 cm/yr for the Monte Carlo simulations. The axial flux profile in the Monte Carlo simulation is similar in shape to the diffusion results, but with different peak values, and the two profiles have an R2 value of 0.93. The {sup 238}U, {sup 239}Np and {sup 239}Pu burnup profiles from the diffusion simulation show good agreement with the Monte Carlo simulations, R values of 0.98, 0.93 and 0.97 respectively are observed. (authors)
Abdul-Majid, Samir
2013-04-01
Wax deposition in pipelines can be very costly for plant operation in oil industry. New techniques are needed for allocation and thickness determination of wax deposits. The timely removal of wax can make large saving in operational cost. Neutron back diffusion and neutron capture gamma rays were used in this study to measure paraffin, asphalt and polyethylene deposition thicknesses inside pipes and to enable simultaneous determination of scale and pipe corrosion. It was possible to determine a thickness change of less than one mm in 2 min. It was also possible to detect localized scale from a small region of the pipe of approximately 2 cm in diameter. Although experiments were performed in lab, the system can be made portable for field applications. PMID:23410615
D. Scott Lucas; D. S. Lucas
2005-09-01
An LDRD (Laboratory Directed Research and Development) project is underway at the Idaho National Laboratory (INL) to apply the three-dimensional multi-group deterministic neutron transport code (Attila®) to criticality, flux and depletion calculations of the Advanced Test Reactor (ATR). This paper discusses the development of Attila models for ATR, capabilities of Attila, the generation and use of different cross-section libraries, and comparisons to ATR data, MCNP, MCNPX and future applications.
Axial expansion methods for solution of the multi-dimensional neutron diffusion equation
Beaklini Filho, J.F.
1984-01-01
The feasibility and practical implementation of axial expansion methods for the solution of the multi-dimensional multigroup neutron diffusion (MGD) equations is investigated. The theoretical examination which is applicable to the general MGD equations in arbitrary geometry includes the derivation of a new weak (reduced) form of the MGD equations by expanding the axial component of the neutron flux in a series of known trial functions and utilizing the Galerkin weighting. A general two-group albedo boundary condition is included in the weak form as a natural boundary condition. The application of different types of trial functions is presented.
Estimation of Force Constants of Al from Diffuse Neutron Scattering Measurement
NASA Astrophysics Data System (ADS)
Makhsun; Hashimoto, Takuya; Sakuma, Takashi; Takahashi, Haruyuki; Kamishima, Osamu; Igawa, Naoki; Danilkin, Sergey A.
2014-07-01
Neutron diffraction measurement of an aluminum powder sample at 290 K was carried out at the high resolution powder diffractometer installed at JRR-3. Broad oscillations of the diffuse scattering intensity were observed and explained by the correlation effects among the thermal displacements of atoms. The interatomic force constants were determined from the correlation effects using a newly introduced equation. The derived force constants and the crystal structure of Al were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The calculated phonon dispersion relations and specific heat of Al are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectively.
ERIC Educational Resources Information Center
Hastings, S. K.
2002-01-01
Discusses 3 D imaging as it relates to digital representations in virtual library collections. Highlights include X-ray computed tomography (X-ray CT); the National Science Foundation (NSF) Digital Library Initiatives; output peripherals; image retrieval systems, including metadata; and applications of 3 D imaging for libraries and museums. (LRW)
NASA Astrophysics Data System (ADS)
Imel, Adam; Miller, Brad; Holley, Wade; Baskaran, Durairaj; Mays, Jimmy; Dadmun, Mark
2015-03-01
The diffusion properties of nanoparticles in polymer nanocomposites are largely unknown and depend intimately on the dispersion of the nanoparticles. We examine the diffusion of soft, organic nanoparticles, which disperse in a polymer matrix due to the interpenetration of polymer chains and particles and the reduction in the depletion of entropy in the system. The impact of the presence of soft nanoparticles on the diffusion coefficient of polystyrene chains has recently been determined with neutron reflectivity. This was completed by monitoring the interdiffusion of deuterated and protonated polystyrene nanocomposite bilayers with and without the soft nanoparticles dispersed throughout both layers and extracting the diffusion coefficient from the one-dimensional solution to Fick's second law of diffusion. In this work, we extend this method to bilayer systems with only the soft nanoparticles as one of the layers and a linear deuterated polystyrene as an adjacent layer. The development of this method allows us to determine the tracer diffusion coefficient of the soft polystyrene nanoparticles for the first time by analyzing the mutual diffusion coefficient from Fick's second law and the fast and slow modes theories for diffusion.
NASA Astrophysics Data System (ADS)
Dima, M.; Farisato, G.; Bergomi, M.; Viotto, V.; Magrin, D.; Greggio, D.; Farinato, J.; Marafatto, L.; Ragazzoni, R.; Piazza, D.
2014-08-01
In the last few years 3D printing is getting more and more popular and used in many fields going from manufacturing to industrial design, architecture, medical support and aerospace. 3D printing is an evolution of bi-dimensional printing, which allows to obtain a solid object from a 3D model, realized with a 3D modelling software. The final product is obtained using an additive process, in which successive layers of material are laid down one over the other. A 3D printer allows to realize, in a simple way, very complex shapes, which would be quite difficult to be produced with dedicated conventional facilities. Thanks to the fact that the 3D printing is obtained superposing one layer to the others, it doesn't need any particular work flow and it is sufficient to simply draw the model and send it to print. Many different kinds of 3D printers exist based on the technology and material used for layer deposition. A common material used by the toner is ABS plastics, which is a light and rigid thermoplastic polymer, whose peculiar mechanical properties make it diffusely used in several fields, like pipes production and cars interiors manufacturing. I used this technology to create a 1:1 scale model of the telescope which is the hardware core of the space small mission CHEOPS (CHaracterising ExOPlanets Satellite) by ESA, which aims to characterize EXOplanets via transits observations. The telescope has a Ritchey-Chrétien configuration with a 30cm aperture and the launch is foreseen in 2017. In this paper, I present the different phases for the realization of such a model, focusing onto pros and cons of this kind of technology. For example, because of the finite printable volume (10×10×12 inches in the x, y and z directions respectively), it has been necessary to split the largest parts of the instrument in smaller components to be then reassembled and post-processed. A further issue is the resolution of the printed material, which is expressed in terms of layers
Neutron Diffuse Scattering in Pure and Ba-Doped Single Crystals of the Relaxor NBT
NASA Astrophysics Data System (ADS)
Ge, Wenwei; Devreugd, Christopher; Phelan, Daniel; Gehring, Peter; Zhang, Qinhui; Ahart, Muhtar; Li, Jiefang; Luo, Haosu; Viehland, Dwight
2013-03-01
We report neutron diffuse scattering measurements on the lead-free relaxors Na1/2Bi1/2TiO3 (NBT) and NBT doped with 5.6% BaTiO3, a composition that is located close to the morphotropic phase boundary. The diffuse scattering in NBT appears on cooling near 700 K, which coincides with the temperature at which the dielectric constant deviates from Curie-Weiss behavior. Strong, anisotropic diffuse scattering intensity is observed near the (100), (110), (200), (220), and (210) Bragg peaks. The reciprocal space distribution of the diffuse scattering is consistent with the presence of competing rhombohedral and tetragonal short-range structural correlations. Doping NBT with 5.6% BaTiO3 reduces the correlation length associated with the tetragonal order by a factor of 10 while simultaneously enhancing the piezoelectric properties. This research was supported by NSF Grant DMR-0806592.
NASA Astrophysics Data System (ADS)
Disch, C.
2014-09-01
Mobile surveillance systems are used to find lost radioactive sources and possible nuclear threats in urban areas. The REWARD collaboration [1] aims to develop such a complete radiation monitoring system that can be installed in mobile or stationary setups across a wide area. The scenarios include nuclear terrorism threats, lost radioactive sources, radioactive contamination and nuclear accidents. This paper will show the performance capabilities of the REWARD system in different scnarios. The results include both Monte Carlo simulations as well as neutron and gamma-ray detection performances in terms of efficiency and nuclide identification. The outcomes of several radiation mapping survey with the entire REWARD system will also be presented.
Br diffusion in molten NaBr explored by coherent quasielastic neutron scattering
NASA Astrophysics Data System (ADS)
Demmel, F.; Alcaraz, O.; Trullas, J.
2016-04-01
Molten sodium bromide has been investigated by quasielastic neutron scattering focusing on the wave vector range around the first structure factor peak. The linewidth of the scattering function shows a narrowing around the wave number of the structure factor peak, known as deGennes narrowing. In a monatomic system, this narrowing or in the time domain slowing down, has been related to a self-diffusion process of the caged particle. Here we show that this methodology can be applied to the molten alkali halide NaBr. The incoherent scattering from the sodium ions at small wave vectors provides the self-diffusion coefficient of sodium and the dynamics of bromine ions can be studied at wave numbers around the structure factor peak. With input from molecular dynamics simulations on the partial structure factors, diffusion coefficients of the bromine ions can be obtained. These experimentally derived diffusion coefficients are in good agreement with molecular dynamics simulation results. This methodology to extract self-diffusion coefficients from coherent quasielastic neutron scattering is applicable to binary fluids in general when one particle dominates the scattering response at the structure factor maximum.
Willert, Jeffrey; Park, H.; Taitano, William
2015-10-12
High-order/low-order (or moment-based acceleration) algorithms have been used to significantly accelerate the solution to the neutron transport k-eigenvalue problem over the past several years. Recently, the nonlinear diffusion acceleration algorithm has been extended to solve fixed-source problems with anisotropic scattering sources. In this paper, we demonstrate that we can extend this algorithm to k-eigenvalue problems in which the scattering source is anisotropic and a significant acceleration can be achieved. Lastly, we demonstrate that the low-order, diffusion-like eigenvalue problem can be solved efficiently using a technique known as nonlinear elimination.
Nanoscale structure in AgSbTe2 determined by diffuse elastic neutron scattering
Specht, Eliot D; Ma, Jie; Delaire, Olivier A; Budai, John D; May, Andrew F; Karapetrova, Evguenia A.
2015-01-01
Diffuse elastic neutron scattering measurements confirm that AgSbTe2 has a hierarchical structure, with defects on length scales from nanometers to microns. While scattering from mesoscale structure is consistent with previously-proposed structures in which Ag and Sb order on a NaCl lattice, more diffuse scattering from nanoscale structure suggests a structural rearrangement in which hexagonal layers form a combination of (ABC), (ABA), and (AAB) stacking sequences. The AgCrSe2 structure is the best-fitting model for the local atomic arrangements.
3-D tracking in a miniature time projection chamber
NASA Astrophysics Data System (ADS)
Vahsen, S. E.; Hedges, M. T.; Jaegle, I.; Ross, S. J.; Seong, I. S.; Thorpe, T. N.; Yamaoka, J.; Kadyk, J. A.; Garcia-Sciveres, M.
2015-07-01
The three-dimensional (3-D) detection of millimeter-scale ionization trails is of interest for detecting nuclear recoils in directional fast neutron detectors and in direction-sensitive searches for weakly interacting massive particles (WIMPs), which may constitute the Dark Matter of the universe. We report on performance characterization of a miniature gas target Time Projection Chamber (TPC) where the drift charge is avalanche-multiplied with Gas Electron Multipliers (GEMs) and detected with the ATLAS FE-I3 Pixel Application Specific Integrated Circuit (ASIC). We report on measurements of gain, gain resolution, point resolution, diffusion, angular resolution, and energy resolution with low-energy X-rays, cosmic rays, and alpha particles, using the gases Ar:CO2 (70:30) and He:CO2 (70:30) at atmospheric pressure. We discuss the implications for future, larger directional neutron and Dark Matter detectors. With an eye to designing and selecting components for these, we generalize our results into analytical expressions for detector performance whenever possible. We conclude by demonstrating the 3-D directional detection of a fast neutron source.
GPU-Accelerated Denoising in 3D (GD3D)
Energy Science and Technology Software Center (ESTSC)
2013-10-01
The raw computational power GPU Accelerators enables fast denoising of 3D MR images using bilateral filtering, anisotropic diffusion, and non-local means. This software addresses two facets of this promising application: what tuning is necessary to achieve optimal performance on a modern GPU? And what parameters yield the best denoising results in practice? To answer the first question, the software performs an autotuning step to empirically determine optimal memory blocking on the GPU. To answer themore » second, it performs a sweep of algorithm parameters to determine the combination that best reduces the mean squared error relative to a noiseless reference image.« less
Sun, K.; Chenu, A.; Mikityuk, K.; Krepel, J.; Chawla, R.
2012-07-01
The core behaviour of a large (3600 MWth) sodium-cooled fast reactor (SFR) is investigated in this paper with the use of a coupled TRACE/PARCS model. The SFR neutron spectrum is characterized by several performance advantages, but also leads to one dominating neutronics drawback - a positive sodium void reactivity. This implies a positive reactivity effect when sodium coolant is removed from the core. In order to evaluate such feedback in terms of the dynamics, a representative unprotected loss-of-flow (ULOF) transient, i.e. flow run-down without SCRAM in which sodium boiling occurs, is analyzed. Although analysis of a single transient cannot allow general conclusions to be drawn, it does allow better understanding of the underlying physics and can lead to proposals for improving the core response during such an accident. The starting point of this study is the reference core design considered in the framework of the Collaborative Project on the European Sodium Fast Reactor (CP-ESFR). To reduce the void effect, the core has been modified by introducing an upper sodium plenum (along with a boron layer) and by reducing the core height-to-diameter ratio. For the ULOF considered, a sharp increase in core power results in melting of the fuel in the case of the reference core. In the modified core, a large dryout leads to melting of the clad. It seems that, for the hypothetical event considered, fuel failure cannot be avoided with just improvement of the neutronics design; therefore, thermal-hydraulics optimization has been considered. An innovative assembly design is proposed to prevent sodium vapour blocking the fuel channel. This results in preventing a downward propagation of the sodium boiling to the core center, thus limiting it to the upper region. Such a void map introduces a negative coolant density reactivity feedback, which dominates the total reactivity change. As a result, the power level and the fuel temperature are effectively reduced, and a large dryout
Crandall, K.R.
1987-08-01
TRACE 3-D is an interactive beam-dynamics program that calculates the envelopes of a bunched beam, including linear space-charge forces, through a user-defined transport system. TRACE 3-D provides an immediate graphics display of the envelopes and the phase-space ellipses and allows nine types of beam-matching options. This report describes the beam-dynamics calculations and gives detailed instruction for using the code. Several examples are described in detail.
NASA Astrophysics Data System (ADS)
Seidenberger, K.; Wilhelm, F.; Schmitt, T.; Lehnert, W.; Scholta, J.
Understanding of both water management in PEM fuel cells and degradation mechanisms of the gas diffusion layer (GDL) and their mutual impact is still at least incomplete. Different modelling approaches contribute to gain deeper insight into the processes occurring during fuel cell operation. Considering the GDL, the models can help to obtain information about the distribution of liquid water within the material. Especially, flooded regions can be identified, and the water distribution can be linked to the system geometry. Employed for material development, this information can help to increase the life time of the GDL as a fuel cell component and the fuel cell as the entire system. The Monte Carlo (MC) model presented here helps to simulate and analyse the water household in PEM fuel cell GDLs. This model comprises a three-dimensional, voxel-based representation of the GDL substrate, a section of the flowfield channel and the corresponding rib. Information on the water distribution within the substrate part of the GDL can be estimated.
Diffusion of lithium-6 isotopes in lithium aluminate ceramics using neutron depth profiling
NASA Astrophysics Data System (ADS)
McWhinney, Hylton G.; James, William D.; Schweikert, Emile A.; Williams, John R.; Hollenberg, Glen; Welsh, John; Sereatan, Washington
1993-07-01
Lithium Ceramics offer tremendous potential as a source for the production of tritium ( 3H) for fusion power reactors. Their successful application will depend to a great extent upon the diffusion properties of the 6Li within the matrix. Consequently knowledge od 6Li concentration gradients in the ceramic matrices is an important requirement in the continued development of the technology. In this investigation, the neutron depth profile (NDP) technique has been applied to the study of concentration profiles of 6Li in lithium aluminate ceramics, doped with 1.8%, 50% and 95% 6Li isotopic concentrations. Specimen for analysis were prepared at Battelle (PNL) as pellet discs. Samples for diffusion studies were arranged as diffusion couples in the following manner: 1.8% 6Li discs/85% 6Li powder. Experiments were performed at the Texas A&M Nuclear Science Center Reactor Building, utilizing 1 MW equivalent thermal neutron fluxes 3 × 10 11n/ m2s. The depth probed by the technique is approximately 15 μ.m. Diffusion coefficients are in the range of 2.1 × 10 -12 to 7.0 × 10 -11m2s-1 for 1.8% 6Li-doped ceramics annealed at 1200 and 1400° C, for 4 to 48-h anneal times.
Trantham, E C; Rorschach, H E; Clegg, J S; Hazlewood, C F; Nicklow, R M; Wakabayashi, N
1984-01-01
Results have been obtained on the quasi-elastic spectra of neutrons scattered from pure water, a 20% agarose gel (hydration four grams H2O per gram of dry solid) and cysts of the brine shrimp Artemia for hydrations between 0.10 and 1.2 grams H2O per gram of dry solids. The spectra were interpreted using a two-component model that included contributions from the covalently bonded protons and the hydration water, and a mobile water fraction. The mobile fraction was described by a jump-diffusion correlation function for the translation motion and a simple diffusive orientational correlation function. The results for the line widths gamma (Q2) for pure water were in good agreement with previous measurements. The agarose results were consistent with NMR measurements that show a slightly reduced translational diffusion for the mobile water fraction. The Artemia results show that the translational diffusion coefficient of the mobile water fraction was greatly reduced from that of pure water. The line width was determined mainly by the rotational motion, which was also substantially reduced from the pure water value as determined from dielectric relaxation studies. The translational and rotational diffusion parameters were consistent with the NMR measurements of diffusion and relaxation. Values for the hydration fraction and the mean square thermal displacement [u2] as determined from the Q-dependence of the line areas were also obtained. PMID:6733243
NASA Astrophysics Data System (ADS)
Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.
2009-10-01
We describe the results of a neutron powder diffraction study of perdeuterated ammonia monohydrate (AMH, ND3ṡD2O) carried out in the range 102
Salles, Fabrice; Jobic, Hervé; Devic, Thomas; Llewellyn, Philip L; Serre, Christian; Férey, Gérard; Maurin, Guillaume
2010-01-26
Quasi-elastic neutron scattering measurements are combined with molecular dynamics simulations to determine the self-diffusivity, corrected diffusivity, and transport diffusivity of CO(2) in the metal-organic framework MIL-47(V) (MIL = Materials Institut Lavoisier) over a wide range of loading. The force field used for describing the host/guest interactions is first validated on the thermodynamics of the MIL-47(V)/CO(2) system, prior to being transferred to the investigations of the dynamics. A decreasing profile is then deduced for D(s) and D(o) whereas D(t) presents a non monotonous evolution with a slight decrease at low loading followed by a sharp increase at higher loading. Such decrease of D(t) which has never been evidenced in any microporous systems comes from the atypical evolution of the thermodynamic correction factor that reaches values below 1 at low loading. This implies that, due to intermolecular interactions, the CO(2) molecules in MIL-47(V) do not behave like an ideal gas. Further, molecular simulations enabled us to elucidate unambiguously a 3D diffusion mechanism within the pores of MIL-47(V). PMID:19957953
NASA Astrophysics Data System (ADS)
Oldham, Mark
2015-01-01
Radiochromic materials exhibit a colour change when exposed to ionising radiation. Radiochromic film has been used for clinical dosimetry for many years and increasingly so recently, as films of higher sensitivities have become available. The two principle advantages of radiochromic dosimetry include greater tissue equivalence (radiologically) and the lack of requirement for development of the colour change. In a radiochromic material, the colour change arises direct from ionising interactions affecting dye molecules, without requiring any latent chemical, optical or thermal development, with important implications for increased accuracy and convenience. It is only relatively recently however, that 3D radiochromic dosimetry has become possible. In this article we review recent developments and the current state-of-the-art of 3D radiochromic dosimetry, and the potential for a more comprehensive solution for the verification of complex radiation therapy treatments, and 3D dose measurement in general.
NASA Astrophysics Data System (ADS)
Iliesiu, Luca; Kos, Filip; Poland, David; Pufu, Silviu S.; Simmons-Duffin, David; Yacoby, Ran
2016-03-01
We study the conformal bootstrap for a 4-point function of fermions < ψψψψ> in 3D. We first introduce an embedding formalism for 3D spinors and compute the conformal blocks appearing in fermion 4-point functions. Using these results, we find general bounds on the dimensions of operators appearing in the ψ × ψ OPE, and also on the central charge C T . We observe features in our bounds that coincide with scaling dimensions in the GrossNeveu models at large N . We also speculate that other features could coincide with a fermionic CFT containing no relevant scalar operators.
O'Malley, Alexander J; García Sakai, Victoria; Silverwood, Ian P; Dimitratos, Nikolaos; Parker, Stewart F; Catlow, C Richard A
2016-06-29
The diffusion of methanol in zeolite HY is studied using tandem quasielastic neutron scattering (QENS) experiments and molecular dynamics (MD) simulations at 300-400 K. The experimental diffusion coefficients were measured in the range 2-5 × 10(-10) m(2) s(-1) and simulated diffusion coefficients calculated in the range of 1.6-3.2 × 10(-9) m(2) s(-1). Activation energies were measured as 8.8 and 6.9 kJ mol(-1) using QENS and MD respectively. Differences may be attributed predominantly to the experimental use of a dealuminated HY sample, containing significant defects such as strongly adsorbing silanol nests, compared to a perfect simulated crystal containing only evenly distributed Brønsted acid sites. Experimental and simulated diffusivities measured in this study are lower than those obtained from those previously calculated in siliceous faujasite, due to methanol H-bonding to Brønsted acid sites as observed in the MD simulations. However, both experimental and simulated diffusivities were significantly higher than those obtained in NaX, due to the higher concentration of extraframework cations present in the previously studied structures. PMID:27249167
Incoherent Quasielastic Neutron Scattering study of hydrogen diffusion in thorium-zirconium hydrides
NASA Astrophysics Data System (ADS)
Terrani, Kurt A.; Mamontov, Eugene; Balooch, Mehdi; Olander, Donald R.
2010-06-01
Monophase thorium-zirconium hydrides (ThZr 2H x) have been fabricated starting from a metallic alloy and the hydrogen stoichiometry determined by X-ray diffraction. Incoherent Quasielastic Neutron Scattering (IQNS) on the hydrides was conducted over the temperature range 650-750 K at the Backscattering Silicon Spectrometer (BASIS) at the Spallation Neutron Source (SNS) at ORNL. The isotropic Chudley-Elliott model was utilized to analyze the quasielastic linewidth broadening data as function of momentum transfer. The diffusion coefficient and average jump distance of hydrogen atoms in ThZr 2H 5.6 and ThZr 2H 6.2 were extracted from the measurements.
NASA Astrophysics Data System (ADS)
Puszka, Agathe; Di Sieno, Laura; Dalla Mora, Alberto; Pifferi, Antonio; Contini, Davide; Boso, Gianluca; Tosi, Alberto; Hervé, Lionel; Planat-Chrétien, Anne; Koenig, Anne; Dinten, Jean-Marc
2014-02-01
Fiber optic probes with a width limited to a few centimeters can enable diffuse optical tomography (DOT) in intern organs like the prostate or facilitate the measurements on extern organs like the breast or the brain. We have recently shown on 2D tomographic images that time-resolved measurements with a large dynamic range obtained with fast-gated single-photon avalanche diodes (SPADs) could push forward the imaged depth range in a diffusive medium at short source-detector separation compared with conventional non-gated approaches. In this work, we confirm these performances with the first 3D tomographic images reconstructed with such a setup and processed with the Mellin- Laplace transform. More precisely, we investigate the performance of hand-held probes with short interfiber distances in terms of spatial resolution and specifically demonstrate the interest of having a compact probe design featuring small source-detector separations. We compare the spatial resolution obtained with two probes having the same design but different scale factors, the first one featuring only interfiber distances of 15 mm and the second one, 10 mm. We evaluate experimentally the spatial resolution obtained with each probe on the setup with fast-gated SPADs for optical phantoms featuring two absorbing inclusions positioned at different depths and conclude on the potential of short source-detector separations for DOT.
a Quasielastic Neutron Scattering Study of Water Diffusion in Frog Muscle.
NASA Astrophysics Data System (ADS)
Heidorn, Douglas Bruce
The microscopic structure and dynamics of cytoplasmic water in the cells of organs and tissues are not well-understood. Much work has been done using various experimental techniques to study the properties of water in living systems, yet there is no generally accepted model describing the interaction of water with cellular constituents. Quasi-elastic neutron scattering (QNS) is a technique capable of a spatial resolution of 1-10 (ANGSTROM) and a frequency resolution of 10('9) to 10('13) sec('-1) which is suitable for the study of the diffusive motion of water in biological systems. A monochromatic beam of 0.95 THz neutrons was used to obtain QNS spectra within an energy window of (+OR -)0.2 THz for momentum transfer values in the ranges of 0.5 (ANGSTROM)('-1) to 1.9 (ANGSTROM)('-1). We have obtained QNS spectra for water in sartorius and gracilis major muscles of green leopard frogs (Rana pipiens pipiens) at 30(DEGREES)C and comparison spectra for a .15 molar solution of KCl at 3(DEGREES)C. The spectra were interpreted with a jump-diffusion model for translational water motion in both systems and a bound-free model for water in the muscle. The measured diffusion parameters of these two systems indicate that the water motion is more restricted in the frog muscle than in the aqueous KCl solution. We estimate the bound fraction of water in muscle to be 15.0 (+OR-) 4.1%. Our results for the bound water fraction in muscle and diffusion coefficients and correlation times of water in muscle and in a .15 m KCl solution agree well with the QNS and NMR results of others.
NASA Astrophysics Data System (ADS)
Iizuka, Keigo
2008-02-01
In order to circumvent the fact that only one observer can view the image from a stereoscopic microscope, an attachment was devised for displaying the 3D microscopic image on a large LCD monitor for viewing by multiple observers in real time. The principle of operation, design, fabrication, and performance are presented, along with tolerance measurements relating to the properties of the cellophane half-wave plate used in the design.
NASA Astrophysics Data System (ADS)
Serrano Ruiz, D.; Alonso Cristobal, P.; Laurenti, M.; Rubio Retama, J.; Lopez-Cabarcos, E.
2014-11-01
Poly(acrylic-acrylamide) interpenetrated microgels present continuous phase transition from collapsed to swollen state around 42 °C. The upper critical solution temperature (UCST) of this polymeric system has prompted scientists to consider them candidates for its use in biological applications such as smart drug delivery devices since the swelling of the polymer matrix would permit the release of the drug previously entrapped within the microgels. In these systems the increment of the temperature can break inter-chain interactions, mainly hydrogen bonds, which reduce the elastic tension that stabilizes the microgel, favoring the polymer swelling. The microgel molecular dynamics at the UCST can be investigated using Incoherent Elastic (IENS) and Quasielastic Neutron Scattering (IQNS). From the analysis of the IQNS data we obtained that the diffusion coefficient of the polymer segments depends on the composition of the interpenetrated matrix. Thus, at room temperature, microgels with a polymer composition of 50% of each component present a diffusion coefficient 1·10-12 m2/s, while for the microgels formed by only one component the diffusion coefficient is 5.10-10 m2/s. This huge difference in the diffusion coefficient is conspicuously reduced when temperature increases, and we attribute this effect to the breaking of the inter-chain interaction. By means of FTIR-ATR analysis we have identified the groups that are involved in this phenomenon and we associate the breaking of the polyacrylic-polyacrylamide interactions with the swelling of the microgels.
Converged accelerated finite difference scheme for the multigroup neutron diffusion equation
Terranova, N.; Mostacci, D.; Ganapol, B. D.
2013-07-01
Computer codes involving neutron transport theory for nuclear engineering applications always require verification to assess improvement. Generally, analytical and semi-analytical benchmarks are desirable, since they are capable of high precision solutions to provide accurate standards of comparison. However, these benchmarks often involve relatively simple problems, usually assuming a certain degree of abstract modeling. In the present work, we show how semi-analytical equivalent benchmarks can be numerically generated using convergence acceleration. Specifically, we investigate the error behavior of a 1D spatial finite difference scheme for the multigroup (MG) steady-state neutron diffusion equation in plane geometry. Since solutions depending on subsequent discretization can be envisioned as terms of an infinite sequence converging to the true solution, extrapolation methods can accelerate an iterative process to obtain the limit before numerical instability sets in. The obtained results have been compared to the analytical solution to the 1D multigroup diffusion equation when available, using FORTRAN as the computational language. Finally, a slowing down problem has been solved using a cascading source update, showing how a finite difference scheme performs for ultra-fine groups (104 groups) in a reasonable computational time using convergence acceleration. (authors)
Predicting neutron diffusion eigenvalues with a query-based adaptive neural architecture.
Lysenko, M G; Wong, H I; Maldonado, G I
1999-01-01
A query-based approach for adaptively retraining and restructuring a two-hidden-layer artificial neural network (ANN) has been developed for the speedy prediction of the fundamental mode eigenvalue of the neutron diffusion equation, a standard nuclear reactor core design calculation which normally requires the iterative solution of a large-scale system of nonlinear partial differential equations (PDE's). The approach developed focuses primarily upon the adaptive selection of training and cross-validation data and on artificial neural-network (ANN) architecture adjustments, with the objective of improving the accuracy and generalization properties of ANN-based neutron diffusion eigenvalue predictions. For illustration, the performance of a "bare bones" feedforward multilayer perceptron (MLP) is upgraded through a variety of techniques; namely, nonrandom initial training set selection, adjoint function input weighting, teacher-student membership and equivalence queries for generation of appropriate training data, and a dynamic node architecture (DNA) implementation. The global methodology is flexible in that it can "wrap around" any specific training algorithm selected for the static calculations (i.e., training iterations with a fixed training set and architecture). Finally, the improvements obtained are carefully contrasted against past works reported in the literature. PMID:18252578
Methanol Diffusion into Thin Ionomer Films: An in situ Study Using Neutron Reflectometry .
NASA Astrophysics Data System (ADS)
He, Lilin
2008-03-01
THUSITHA, N. ETAMPAWALA DVORA, PERAHIA ^ Department of Chemistry, Clemson University, Clemson, SC 29634 JAROSLAW MAJEWSKI, Lujan Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos, NM 87545 CHRISTOPHER J. CORNELIUS^ Sandia National Laboratories, MS 0886, Albuquerque, New Mexico 87185-0886 The penetration of solvent into a polymer that consists of incompatable groups is determined by the specific interactions with the guest molecule, where interfacial structure and dynamics of the polymer affect the onset of the process. The current work presents a neutron reflectometry study of the penetration of methanol into sulfonated polyphenlylene thin films. The ionomer films were exposed to saturated deuterated methanol vapor and reflectometry patterns were recorded until equilibrium was reached. The process incorporates two stages where the vapors first wet the surface and then penetrate into the film. Significant swelling takes place as soon as the film is exposed to the vapors. Similar to previous studied in water, the onset diffusion is Fickian followed by an anomalous diffusion process. The entire process however is faster than that observed for water.
How useful is neutron diffusion theory for nuclear rocket engine design
Hilsmeier, T.A.; Aithal, S.M.; Aldemir, T. )
1992-01-01
Correct modeling of neutron leakage and geometry effects is important in the design of a nuclear rocket engine because of the need for small reactor cores in space applications. In principle, there are generalized procedures that can account for these effects in a reliable manner (e.g., a three-dimensional, continuous-energy Monte Carlo calculation with all core components explicitly modeled). However, these generalized procedures are not usually suitable for parametric design studies because of the long computational times required, and the feasibility of using faster running, more approrimate neutronic modeling approaches needs to be investigated. Faster running neutronic models are also needed for simulator development to assess the engine performance during startup and power level changes. This paper investigates the potential of the few-group diffusion approach for nuclear rocket engine core design and optimization by comparing the k[sub eff] and power distributions obtained by the MCNP code against those obtained from the LEOPARD and 2DB codes for the particle bed reactor (PBR) concept described. The PBRs have been identified as one of the two near-term options for nuclear thermal propulsion by the joint National Aeronautics and Space Administration (NASA)/US Department of Energy/US Department of Defense program that was recently set up at the NASA Lewis Research Center to develop a flight-rated nuclear rocket engine by the 2020s.
NASA Technical Reports Server (NTRS)
1992-01-01
Ames Research Center research into virtual reality led to the development of the Convolvotron, a high speed digital audio processing system that delivers three-dimensional sound over headphones. It consists of a two-card set designed for use with a personal computer. The Convolvotron's primary application is presentation of 3D audio signals over headphones. Four independent sound sources are filtered with large time-varying filters that compensate for motion. The perceived location of the sound remains constant. Possible applications are in air traffic control towers or airplane cockpits, hearing and perception research and virtual reality development.
NASA Astrophysics Data System (ADS)
Kostrzewski, Andrew A.; Aye, Tin M.; Kim, Dai Hyun; Esterkin, Vladimir; Savant, Gajendra D.
1998-09-01
Physical Optics Corporation has developed an advanced 3-D virtual reality system for use with simulation tools for training technical and military personnel. This system avoids such drawbacks of other virtual reality (VR) systems as eye fatigue, headaches, and alignment for each viewer, all of which are due to the need to wear special VR goggles. The new system is based on direct viewing of an interactive environment. This innovative holographic multiplexed screen technology makes it unnecessary for the viewer to wear special goggles.
Cevidanes, Lucia; Tucker, Scott; Styner, Martin; Kim, Hyungmin; Chapuis, Jonas; Reyes, Mauricio; Proffit, William; Turvey, Timothy; Jaskolka, Michael
2009-01-01
This paper discusses the development of methods for computer-aided jaw surgery. Computer-aided jaw surgery allows us to incorporate the high level of precision necessary for transferring virtual plans into the operating room. We also present a complete computer-aided surgery (CAS) system developed in close collaboration with surgeons. Surgery planning and simulation include construction of 3D surface models from Cone-beam CT (CBCT), dynamic cephalometry, semi-automatic mirroring, interactive cutting of bone and bony segment repositioning. A virtual setup can be used to manufacture positioning splints for intra-operative guidance. The system provides further intra-operative assistance with the help of a computer display showing jaw positions and 3D positioning guides updated in real-time during the surgical procedure. The CAS system aids in dealing with complex cases with benefits for the patient, with surgical practice, and for orthodontic finishing. Advanced software tools for diagnosis and treatment planning allow preparation of detailed operative plans, osteotomy repositioning, bone reconstructions, surgical resident training and assessing the difficulties of the surgical procedures prior to the surgery. CAS has the potential to make the elaboration of the surgical plan a more flexible process, increase the level of detail and accuracy of the plan, yield higher operative precision and control, and enhance documentation of cases. Supported by NIDCR DE017727, and DE018962 PMID:20816308
Leon-Escamilla, E. Alejandro; Dervenagas, Panagiotis; Stasis, Constantine; Corbett, John D.
2010-01-01
The syntheses of the title compounds are described in detail. Structural characterizations from refinements of single crystal X-ray diffraction data for Yb{sub 5}Bi{sub 3}H{sub x} and Sm{sub 5}Bi{sub 3}H{sub 1} and of powder neutron diffraction data for Ca{sub 5}Bi{sub 3}D{sub 0.93(3)} are reported. These confirm that all three crystallize with the heavy atom structure type of {beta}-Yb{sub 5}Sb{sub 3}, and the third gives the first proof that the deuterium lies in the center of nominal calcium tetrahedra, isostructural with the Ca{sub 5}Sb{sub 3}F-type structure. These Ca and Yb phases are particularly stable with respect to dissociation to Mn{sub 5}Si{sub 3}-type product plus H{sub 2}. Some contradictions in the literature regarding Yb{sub 5}Sb{sub 3} and Yb{sub 5}Sb{sub 3}H{sub x} phases are considered in terms of adventitious hydrogen impurities that are generated during reactions in fused silica containers at elevated temperatures.
The measurement of self-diffusion coefficients in liquid metals with quasielastic neutron scattering
NASA Astrophysics Data System (ADS)
Meyer, Andreas
2015-01-01
Quasielastic incoherent neutron scattering (QENS) has proven to be a versatile tool to study self diffusion of atoms in liquid metals. Here it is shown, that coherent contributions to the signal in the small q limit appear as a flat and energy independent constant to the QENS signal in single-component liquid metals even for systems with a small incoherent scattering cross section, like aluminum. Container-less processing via electromagnetic or electrostatic levitation devices, especially designed for QENS, enables the in-situ measurement on liquid metallic droplets of sizes between 5 mm to 10 mm in diameter. This gives access to the study of chemically reactive, refractory metallic melts and extends the accessible temperature range to undercoolings of several hundred Kelvin below the respective melting point. Compared to experiments using a thin-walled crucible giving hollow-cylindrical sample geometry it is shown that multiple scattering on levitated droplets is negligible for the analysis of the self-diffusion coefficient. QENS results of liquid germanium and 73germanium isotope mixtures, titanium, nickel, copper and aluminum are reviewed. The self-diffusion coefficients of these systems are best described by an Arrhenius-type temperature dependence around their respective melting points.
Natural equilibria in steady-state neutron diffusion with temperature feedback
Pounders, J. M.; Ingram, R.
2013-07-01
The critical diffusion equation with feedback is investigated within the context of steady-state multiphysics. It is proposed that for critical configurations there is no need to include the multiplication factor k in the formulation of the diffusion equation. This is notable because exclusion of k from the coupled system of equations precludes the mathematically tenuous notion of a nonlinear eigenvalue problem. On the other hand, it is shown that if the factor k is retained in the diffusion equation, as is currently common practice, then the resulting problem is equivalent to the constrained minimization of a functional representing the critical equilibrium of neutron and temperature distributions. The unconstrained solution corresponding to k = 1 represents the natural equilibrium of a critical system at steady-state. Computational methods for solving the constrained problem (with k) are briefly reviewed from the literature and a method for the unconstrained problem (without k) is outlined. A numerical example is studied to examine the effects of the constraint in the nonlinear system. (authors)
NASA Technical Reports Server (NTRS)
Bune, Andris V.; Gillies, Donald C.; Lehoczky, Sandor L.
1998-01-01
A numerical calculation for a non-dilute alloy solidification was performed using the FIDAP finite element code. For low growth velocities plane front solidification occurs. The location and the shape of the interface was determined using melting temperatures from the HgCdTe liquidus curve. The low thermal conductivity of the solid HgCdTe causes thermal short circuit through the ampoule walls, resulting in curved isotherms in the vicinity of the interface. Double-diffusive convection in the melt is caused by radial temperature gradients and by material density inversion with temperature. Cooling from below and the rejection at the solid-melt interface of the heavier HgTe-rich solute each tend to reduce convection. Because of these complicating factors dimensional rather then non-dimensional modeling was performed. Estimates of convection contributions for various gravity conditions was performed parametrically. For gravity levels higher then 1 0 -7 of earth's gravity it was found that the maximum convection velocity is extremely sensitive to gravity vector orientation and can be reduced at least by factor of 50% for precise orientation of the ampoule in the microgravity environment. The predicted interface shape is in agreement with one obtained experimentally by quenching. The results of 3-D modeling are compared with previous 2-D finding. A video film featuring melt convection will be presented.
NASA Technical Reports Server (NTRS)
2004-01-01
The Mars Exploration Rover Spirit took this 3-D navigation camera mosaic of the crater called 'Bonneville' after driving approximately 13 meters (42.7 feet) to get a better vantage point. Spirit's current position is close enough to the edge to see the interior of the crater, but high enough and far enough back to get a view of all of the walls. Because scientists and rover controllers are so pleased with this location, they will stay here for at least two more martian days, or sols, to take high resolution panoramic camera images of 'Bonneville' in its entirety. Just above the far crater rim, on the left side, is the rover's heatshield, which is visible as a tiny reflective speck.
Caspi, S.; Helm, M.; Laslett, L.J.
1991-03-30
We have developed an harmonic representation for the three dimensional field components within the windings of accelerator magnets. The form by which the field is presented is suitable for interfacing with other codes that make use of the 3D field components (particle tracking and stability). The field components can be calculated with high precision and reduced cup time at any location (r,{theta},z) inside the magnet bore. The same conductor geometry which is used to simulate line currents is also used in CAD with modifications more readily available. It is our hope that the format used here for magnetic fields can be used not only as a means of delivering fields but also as a way by which beam dynamics can suggest correction to the conductor geometry. 5 refs., 70 figs.
NASA Astrophysics Data System (ADS)
Gil, José J.; San José, Ignacio
2010-11-01
From our previous definition of the indices of polarimetric purity for 3D light beams [J.J. Gil, J.M. Correas, P.A. Melero and C. Ferreira, Monogr. Semin. Mat. G. de Galdeano 31, 161 (2004)], an analysis of their geometric and physical interpretation is presented. It is found that, in agreement with previous results, the first parameter is a measure of the degree of polarization, whereas the second parameter (called the degree of directionality) is a measure of the mean angular aperture of the direction of propagation of the corresponding light beam. This pair of invariant, non-dimensional, indices of polarimetric purity contains complete information about the polarimetric purity of a light beam. The overall degree of polarimetric purity is obtained as a weighted quadratic average of the degree of polarization and the degree of directionality.
NASA Technical Reports Server (NTRS)
Collier, G.
1967-01-01
Computer program VARI-QUIR 3 provides Gauss-Seidel type of solution with inner and outer iterations for steady-state, multigroup, two-dimensional neutron diffusion equations. The program has no restrictions on any of the input parameters such as the number of groups, regions, or materials.
Dworak, D; Loskiewicz, J; Janik, M
2001-05-01
The diffusion approximation solution for neutron transport has been used in well-logging geophysics for calculating tool responses in boreholes, sometimes with success. The problem of the dimension of different materials to which it can be applied with success is important for the borehole environment. The results obtained show that the diffusion approximation can be used for distances greater than a few millimetre in some rock types. For iron, barium, and other highly absorbing media the use of the diffusion approximation is inappropriate even for large distances. PMID:11258535
NASA Technical Reports Server (NTRS)
1997-01-01
Many prominent rocks near the Sagan Memorial Station are featured in this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. Wedge is at lower left; Shark, Half-Dome, and Pumpkin are at center. Flat Top, about four inches high, is at lower right. The horizon in the distance is one to two kilometers away.
Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.
Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right
NASA Technical Reports Server (NTRS)
2004-01-01
This 3-D, microscopic imager mosaic of a target area on a rock called 'Diamond Jenness' was taken after NASA's Mars Exploration Rover Opportunity ground into the surface with its rock abrasion tool for a second time.
Opportunity has bored nearly a dozen holes into the inner walls of 'Endurance Crater.' On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer.
On Sol 178, Opportunity's 'robotic rodent' dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed.
The image mosaic is about 6 centimeters (2.4 inches) across.
Advanced nodal neutron diffusion method with space-dependent cross sections: ILLICO-VX
Rajic, H.L.; Ougouag, A.M.
1987-01-01
Advanced transverse integrated nodal methods for neutron diffusion developed since the 1970s require that node- or assembly-homogenized cross sections be known. The underlying structural heterogeneity can be accurately accounted for in homogenization procedures by the use of heterogeneity or discontinuity factors. Other (milder) types of heterogeneity, burnup-induced or due to thermal-hydraulic feedback, can be resolved by explicitly accounting for the spatial variations of material properties. This can be done during the nodal computations via nonlinear iterations. The new method has been implemented in the code ILLICO-VX (ILLICO variable cross-section method). Numerous numerical tests were performed. As expected, the convergence rate of ILLICO-VX is lower than that of ILLICO, requiring approx. 30% more outer iterations per k/sub eff/ computation. The methodology has also been implemented as the NOMAD-VX option of the NOMAD, multicycle, multigroup, two- and three-dimensional nodal diffusion depletion code. The burnup-induced heterogeneities (space dependence of cross sections) are calculated during the burnup steps.
Diffuse magnetic neutron scattering in the highly frustrated double perovskite Ba2YRuO6
Nilsen, Gøran. J.; Thompson, Corey M.; Ehlers, Georg; Marjerrison, Casey A.; Greedan, John E.
2015-02-23
Here we investigated diffuse magnetic scattering in the highly frustrated double perovskite Ba2YRuO6 using polarized neutrons. Consistent with previous reports, the material shows two apparent transitions at 47 and 36 K to an eventual type I face-centered-cubic magnetic ground state. The (100) magnetic reflection shows different behavior from the five other observed reflections upon heating from 1.8 K, with the former broadening well beyond the resolution limit near 36 K. Closer examination of the latter group reveals a small, but clear, increase in peak widths between 36 and 47 K, indicating that this regime is dominated by short-range spin correlations.more » Diffuse magnetic scattering persists above 47 K near the position of (100) to at least 200 K, consistent with strong frustration. Reverse Monte Carlo (RMC) modeling of the diffuse scattering from 45 to 200 K finds that the spin-spin correlations between nearest and next-nearest neighbors are antiferromagnetic and ferromagnetic, respectively, at temperatures near the upper ordering temperature, but both become antiferromagnetic and of similar magnitude above 100 K. The significance of this unusual crossover is discussed in light of the super-superexchange interactions between nearest and next-nearest neighbors in this material and the demands of type I order. The dimensionality of the correlations is addressed by reconstructing the scattering in the (hk0) plane using the RMC spin configurations. This indicates that one-dimensional spin correlations dominate at temperatures close to the first transition. In addition, a comparison between mean-field calculations and (hk0) scattering implies that further neighbor couplings play a significant role in the selection of the ground state. Finally, the results and interpretation are compared with those recently published for monoclinic Sr2YRuO6, and similarities and differences are emphasized.« less
3-D Finite Element Heat Transfer
Energy Science and Technology Software Center (ESTSC)
1992-02-01
TOPAZ3D is a three-dimensional implicit finite element computer code for heat transfer analysis. TOPAZ3D can be used to solve for the steady-state or transient temperature field on three-dimensional geometries. Material properties may be temperature-dependent and either isotropic or orthotropic. A variety of time-dependent and temperature-dependent boundary conditions can be specified including temperature, flux, convection, and radiation. By implementing the user subroutine feature, users can model chemical reaction kinetics and allow for any type of functionalmore » representation of boundary conditions and internal heat generation. TOPAZ3D can solve problems of diffuse and specular band radiation in an enclosure coupled with conduction in the material surrounding the enclosure. Additional features include thermal contact resistance across an interface, bulk fluids, phase change, and energy balances.« less
NASA Astrophysics Data System (ADS)
Chakravarty, Sujay; Shukla, Neeraj; Devishvili, Anton; Vorobiev, Alexei; Amarendra, G.
2016-08-01
Polarized neutron reflectivity (PNR) measurements have been used for simultaneous measurement of volume and grain boundary diffusivity separately in stable nanocrystalline Fe thin film at very low homologous temperature (0.2 T m < T < 0.3 T m). PNR measurements were done on Si (substrate)/Fe (150 nm)/[57Fe (3 nm)/natFe (9 nm)]x10 thin film system with periodic 57Fe isotope modulation. PNR from as deposited film shows strong Bragg peaks due to neutron scattering length contrast between 57Fe and natFe layers. Atomic Diffusivity was measured from decrease in the intensity of the Bragg peak due to interdiffusion of 57Fe and natFe layers after annealing the film at three different temperatures 418 K, 483 K and 548 K, respectively for different time intervals starting from 30 min to several hours. The change in the nanostructure of the film after annealing is characterized using grazing incidence x-ray diffraction. No appreciable grain growth within error bar is observed in the film after annealing indicating that the diffusion measurements were done in stable nanostructure. It is observed that the grain boundary diffusivity is two orders of magnitude higher than the volume diffusivity. However, the mechanism of atomic diffusion is similar in both grain and grain boundary.
Quantum diffusion of ultra-cold neutrons in a rough waveguide in a gravity field
NASA Astrophysics Data System (ADS)
Escobar, Mauricio
We report the results of our study of propagation of gravitationally quantized ultracold neutrons in rough waveguides in conjunction with GRANIT experiments (ILL, Grenoble). Our theoretical study is done within the frame of the general theory of transport in systems with random rough boundaries developed by Meyerovich et al. We present a theoretical description of GRANIT experiments in the biased diffusion approximation for waveguides with one- and two-dimensional (1Dd and 2D) roughness. All system parameters collapse into a single constant (phi) which determines the depletion times for the gravitational quantum states and the exit neutron count. phi is determined by a complicated integral of the correlation function (CF) of surface roughness. For waveguides with 1D roughness most of the calculations can be performed analytically for the main common types of CF. For waveguides with 2D roughness the final calculations are mostly numerical. We also developed useful scaling equations for phi which can allow experimentalists to accommodate our results to different experimental setups. The reliable identification of the CF is always hindered by the presence of long fluctuation-driven correlation tails in finite-size samples. In order to deal with this issue, we perform numerical experiments relevant for the identification of the roughness CF. We generate surfaces with predetermined CF using rotation of uncorrelated surfaces or using Monte Carlo simulations based on the Ising model. These numerical experiments show how to circumvent the difficulties that arise in extracting the correlation properties of surface roughness using the data on the surface profile obtained in STM-like experiments. This experience helps us to analyze the new rough mirror and make theoretical predictions for ongoing GRANIT experiments. We also propose an alternative waveguide design which can improve the accuracy of experimental results.
NASA Technical Reports Server (NTRS)
2009-01-01
wavelengths. Since the amount of the wavelength shift is related to the speed of motion, one can determine how fast the debris are moving in either direction. Because Cas A is the result of an explosion, the stellar debris is expanding radially outwards from the explosion center. Using simple geometry, the scientists were able to construct a 3-D model using all of this information. A program called 3-D Slicer modified for astronomical use by the Astronomical Medicine Project at Harvard University in Cambridge, Mass. was used to display and manipulate the 3-D model. Commercial software was then used to create the 3-D fly-through.
The blue filaments defining the blast wave were not mapped using the Doppler effect because they emit a different kind of light synchrotron radiation that does not emit light at discrete wavelengths, but rather in a broad continuum. The blue filaments are only a representation of the actual filaments observed at the blast wave.
This visualization shows that there are two main components to this supernova remnant: a spherical component in the outer parts of the remnant and a flattened (disk-like) component in the inner region. The spherical component consists of the outer layer of the star that exploded, probably made of helium and carbon. These layers drove a spherical blast wave into the diffuse gas surrounding the star. The flattened component that astronomers were unable to map into 3-D prior to these Spitzer observations consists of the inner layers of the star. It is made from various heavier elements, not all shown in the visualization, such as oxygen, neon, silicon, sulphur, argon and iron.
High-velocity plumes, or jets, of this material are shooting out from the explosion in the plane of the disk-like component mentioned above. Plumes of silicon appear in the northeast and southwest, while those of iron are seen in the southeast and north. These jets were already known and Doppler velocity measurements have been made for these
NASA Astrophysics Data System (ADS)
Mediavilla, Evencio; Arribas, Santiago; Roth, Martin; Cepa-Nogué, Jordi; Sánchez, Francisco
2011-09-01
Preface; Acknowledgements; 1. Introductory review and technical approaches Martin M. Roth; 2. Observational procedures and data reduction James E. H. Turner; 3. 3D Spectroscopy instrumentation M. A. Bershady; 4. Analysis of 3D data Pierre Ferruit; 5. Science motivation for IFS and galactic studies F. Eisenhauer; 6. Extragalactic studies and future IFS science Luis Colina; 7. Tutorials: how to handle 3D spectroscopy data Sebastian F. Sánchez, Begona García-Lorenzo and Arlette Pécontal-Rousset.
3D Elevation Program—Virtual USA in 3D
Lukas, Vicki; Stoker, J.M.
2016-01-01
The U.S. Geological Survey (USGS) 3D Elevation Program (3DEP) uses a laser system called ‘lidar’ (light detection and ranging) to create a virtual reality map of the Nation that is very accurate. 3D maps have many uses with new uses being discovered all the time.
VENTURE/PC manual: A multidimensional multigroup neutron diffusion code system. Version 3
Shapiro, A.; Huria, H.C.; Cho, K.W.
1991-12-01
VENTURE/PC is a recompilation of part of the Oak Ridge BOLD VENTURE code system, which will operate on an IBM PC or compatible computer. Neutron diffusion theory solutions are obtained for multidimensional, multigroup problems. This manual contains information associated with operating the code system. The purpose of the various modules used in the code system, and the input for these modules are discussed. The PC code structure is also given. Version 2 included several enhancements not given in the original version of the code. In particular, flux iterations can be done in core rather than by reading and writing to disk, for problems which allow sufficient memory for such in-core iterations. This speeds up the iteration process. Version 3 does not include any of the special processors used in the previous versions. These special processors utilized formatted input for various elements of the code system. All such input data is now entered through the Input Processor, which produces standard interface files for the various modules in the code system. In addition, a Standard Interface File Handbook is included in the documentation which is distributed with the code, to assist in developing the input for the Input Processor.
VENTURE/PC manual: A multidimensional multigroup neutron diffusion code system
Shapiro, A.; Huria, H.C.; Cho, K.W. )
1991-12-01
VENTURE/PC is a recompilation of part of the Oak Ridge BOLD VENTURE code system, which will operate on an IBM PC or compatible computer. Neutron diffusion theory solutions are obtained for multidimensional, multigroup problems. This manual contains information associated with operating the code system. The purpose of the various modules used in the code system, and the input for these modules are discussed. The PC code structure is also given. Version 2 included several enhancements not given in the original version of the code. In particular, flux iterations can be done in core rather than by reading and writing to disk, for problems which allow sufficient memory for such in-core iterations. This speeds up the iteration process. Version 3 does not include any of the special processors used in the previous versions. These special processors utilized formatted input for various elements of the code system. All such input data is now entered through the Input Processor, which produces standard interface files for the various modules in the code system. In addition, a Standard Interface File Handbook is included in the documentation which is distributed with the code, to assist in developing the input for the Input Processor.
A microfluidic device for 2D to 3D and 3D to 3D cell navigation
NASA Astrophysics Data System (ADS)
Shamloo, Amir; Amirifar, Leyla
2016-01-01
Microfluidic devices have received wide attention and shown great potential in the field of tissue engineering and regenerative medicine. Investigating cell response to various stimulations is much more accurate and comprehensive with the aid of microfluidic devices. In this study, we introduced a microfluidic device by which the matrix density as a mechanical property and the concentration profile of a biochemical factor as a chemical property could be altered. Our microfluidic device has a cell tank and a cell culture chamber to mimic both 2D to 3D and 3D to 3D migration of three types of cells. Fluid shear stress is negligible on the cells and a stable concentration gradient can be obtained by diffusion. The device was designed by a numerical simulation so that the uniformity of the concentration gradients throughout the cell culture chamber was obtained. Adult neural cells were cultured within this device and they showed different branching and axonal navigation phenotypes within varying nerve growth factor (NGF) concentration profiles. Neural stem cells were also cultured within varying collagen matrix densities while exposed to NGF concentrations and they experienced 3D to 3D collective migration. By generating vascular endothelial growth factor concentration gradients, adult human dermal microvascular endothelial cells also migrated in a 2D to 3D manner and formed a stable lumen within a specific collagen matrix density. It was observed that a minimum absolute concentration and concentration gradient were required to stimulate migration of all types of the cells. This device has the advantage of changing multiple parameters simultaneously and is expected to have wide applicability in cell studies.
Java 3D Interactive Visualization for Astrophysics
NASA Astrophysics Data System (ADS)
Chae, K.; Edirisinghe, D.; Lingerfelt, E. J.; Guidry, M. W.
2003-05-01
We are developing a series of interactive 3D visualization tools that employ the Java 3D API. We have applied this approach initially to a simple 3-dimensional galaxy collision model (restricted 3-body approximation), with quite satisfactory results. Running either as an applet under Web browser control, or as a Java standalone application, this program permits real-time zooming, panning, and 3-dimensional rotation of the galaxy collision simulation under user mouse and keyboard control. We shall also discuss applications of this technology to 3-dimensional visualization for other problems of astrophysical interest such as neutron star mergers and the time evolution of element/energy production networks in X-ray bursts. *Managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725.
NASA Technical Reports Server (NTRS)
2009-01-01
wavelengths. Since the amount of the wavelength shift is related to the speed of motion, one can determine how fast the debris are moving in either direction. Because Cas A is the result of an explosion, the stellar debris is expanding radially outwards from the explosion center. Using simple geometry, the scientists were able to construct a 3-D model using all of this information. A program called 3-D Slicer modified for astronomical use by the Astronomical Medicine Project at Harvard University in Cambridge, Mass. was used to display and manipulate the 3-D model. Commercial software was then used to create the 3-D fly-through.
The blue filaments defining the blast wave were not mapped using the Doppler effect because they emit a different kind of light synchrotron radiation that does not emit light at discrete wavelengths, but rather in a broad continuum. The blue filaments are only a representation of the actual filaments observed at the blast wave.
This visualization shows that there are two main components to this supernova remnant: a spherical component in the outer parts of the remnant and a flattened (disk-like) component in the inner region. The spherical component consists of the outer layer of the star that exploded, probably made of helium and carbon. These layers drove a spherical blast wave into the diffuse gas surrounding the star. The flattened component that astronomers were unable to map into 3-D prior to these Spitzer observations consists of the inner layers of the star. It is made from various heavier elements, not all shown in the visualization, such as oxygen, neon, silicon, sulphur, argon and iron.
High-velocity plumes, or jets, of this material are shooting out from the explosion in the plane of the disk-like component mentioned above. Plumes of silicon appear in the northeast and southwest, while those of iron are seen in the southeast and north. These jets were already known and Doppler velocity measurements have been made for these
Albertson, B J; Blue, T E; Niemkiewicz, J
2001-09-01
This paper outlines a method for determining proper removal-diffusion parameters to be used in removal-diffusion theory calculations for the purpose of BNCT treatment planning. Additionally, this paper demonstrates that, given the proper choice of removal-diffusion parameters, removal-diffusion theory may provide an accurate calculation technique for determining absorbed dose distributions for the purpose of BNCT treatment planning. For a four-group, one-dimensional calculation in water, this method was used to determine values for the neutron scattering cross sections, neutron removal cross sections, neutron diffusion coefficients, and extrapolation distances. These values were then used in a one-dimensional DIF3D calculation. The results of the DIF3D calculation showed a maximum deviation of 2.5% from a MCNP calculation performed for the same geometry. PMID:11585220
NASA Technical Reports Server (NTRS)
1977-01-01
A market study of a proposed version of a 3-D eyetracker for initial use at NASA's Ames Research Center was made. The commercialization potential of a simplified, less expensive 3-D eyetracker was ascertained. Primary focus on present and potential users of eyetrackers, as well as present and potential manufacturers has provided an effective means of analyzing the prospects for commercialization.