Plane-dependent ML scatter scaling: 3D extension of the 2D simulated single scatter (SSS) estimate
Rezaei, Ahmadreza; Salvo, Koen; Vahle, Thomas; Panin, Vladimir; Casey, Michael; Boada, Fernando; Defrise, Michel; Nuyts, Johan
2017-08-01
Scatter correction is typically done using a simulation of the single scatter, which is then scaled to account for multiple scatters and other possible model mismatches. This scaling factor is determined by fitting the simulated scatter sinogram to the measured sinogram, using only counts measured along LORs that do not intersect the patient body, i.e. ‘scatter-tails’. Extending previous work, we propose to scale the scatter with a plane dependent factor, which is determined as an additional unknown in the maximum likelihood (ML) reconstructions, using counts in the entire sinogram rather than only the ‘scatter-tails’. The ML-scaled scatter estimates are validated using a Monte-Carlo simulation of a NEMA-like phantom, a phantom scan with typical contrast ratios of a 68Ga-PSMA scan, and 23 whole-body 18F-FDG patient scans. On average, we observe a 12.2% change in the total amount of tracer activity of the MLEM reconstructions of our whole-body patient database when the proposed ML scatter scales are used. Furthermore, reconstructions using the ML-scaled scatter estimates are found to eliminate the typical ‘halo’ artifacts that are often observed in the vicinity of high focal uptake regions.
International Nuclear Information System (INIS)
Stark, Julian; Rothe, Thomas; Kienle, Alwin; Kieß, Steffen; Simon, Sven
2016-01-01
Single cell nuclei were investigated using two-dimensional angularly and spectrally resolved scattering microscopy. We show that even for a qualitative comparison of experimental and theoretical data, the standard Mie model of a homogeneous sphere proves to be insufficient. Hence, an accelerated finite-difference time-domain method using a graphics processor unit and domain decomposition was implemented to analyze the experimental scattering patterns. The measured cell nuclei were modeled as single spheres with randomly distributed spherical inclusions of different size and refractive index representing the nucleoli and clumps of chromatin. Taking into account the nuclear heterogeneity of a large number of inclusions yields a qualitative agreement between experimental and theoretical spectra and illustrates the impact of the nuclear micro- and nanostructure on the scattering patterns. (paper)
Stark, Julian; Rothe, Thomas; Kieß, Steffen; Simon, Sven; Kienle, Alwin
2016-04-07
Single cell nuclei were investigated using two-dimensional angularly and spectrally resolved scattering microscopy. We show that even for a qualitative comparison of experimental and theoretical data, the standard Mie model of a homogeneous sphere proves to be insufficient. Hence, an accelerated finite-difference time-domain method using a graphics processor unit and domain decomposition was implemented to analyze the experimental scattering patterns. The measured cell nuclei were modeled as single spheres with randomly distributed spherical inclusions of different size and refractive index representing the nucleoli and clumps of chromatin. Taking into account the nuclear heterogeneity of a large number of inclusions yields a qualitative agreement between experimental and theoretical spectra and illustrates the impact of the nuclear micro- and nanostructure on the scattering patterns.
International Nuclear Information System (INIS)
Wegmann, K.; Brix, G.
2000-01-01
Purpose: Single photon transmission (SPT) measurements offer a new approach for the determination of attenuation correction factors (ACF) in PET. It was the aim of the present work, to evaluate a scatter correction alogrithm proposed by C. Watson by means of Monte Carlo simulations. Methods: SPT measurements with a Cs-137 point source were simulated for a whole-body PET scanner (ECAT EXACT HR + ) in both the 2D and 3D mode. To examine the scatter fraction (SF) in the transmission data, the detected photons were classified as unscattered or scattered. The simulated data were used to determine (i) the spatial distribution of the SFs, (ii) an ACF sinogram from all detected events (ACF tot ) and (iii) from the unscattered events only (ACF unscattered ), and (iv) an ACF cor =(ACF tot ) 1+Κ sinogram corrected according to the Watson algorithm. In addition, density images were reconstructed in order to quantitatively evaluate linear attenuation coefficients. Results: A high correlation was found between the SF and the ACF tot sinograms. For the cylinder and the EEC phantom, similar correction factors Κ were estimated. The determined values resulted in an accurate scatter correction in both the 2D and 3D mode. (orig.) [de
Directory of Open Access Journals (Sweden)
Mehravar Rafati
2017-01-01
Conclusion: The simulation and the clinical studies showed that the new approach could be better performance than DEW, TEW methods, according to values of the contrast, and the SNR for scatter correction.
Sun, B.; Yang, P.; Kattawar, G. W.; Zhang, X.
2017-12-01
The ice cloud single-scattering properties can be accurately simulated using the invariant-imbedding T-matrix method (IITM) and the physical-geometric optics method (PGOM). The IITM has been parallelized using the Message Passing Interface (MPI) method to remove the memory limitation so that the IITM can be used to obtain the single-scattering properties of ice clouds for sizes in the geometric optics regime. Furthermore, the results associated with random orientations can be analytically achieved once the T-matrix is given. The PGOM is also parallelized in conjunction with random orientations. The single-scattering properties of a hexagonal prism with height 400 (in units of lambda/2*pi, where lambda is the incident wavelength) and an aspect ratio of 1 (defined as the height over two times of bottom side length) are given by using the parallelized IITM and compared to the counterparts using the parallelized PGOM. The two results are in close agreement. Furthermore, the integrated single-scattering properties, including the asymmetry factor, the extinction cross-section, and the scattering cross-section, are given in a completed size range. The present results show a smooth transition from the exact IITM solution to the approximate PGOM result. Because the calculation of the IITM method has reached the geometric regime, the IITM and the PGOM can be efficiently employed to accurately compute the single-scattering properties of ice cloud in a wide spectral range.
Energy Technology Data Exchange (ETDEWEB)
Demmel, F. [ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom); Mukhopadhyay, S. [ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom); Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)
2016-01-07
The ionic stochastic motions in the molten alkali halide NaF are investigated by quasielastic neutron scattering and first principles molecular dynamics simulation. Quasielastic neutron scattering was employed to extract the diffusion behavior of the sodium ions in the melt. An extensive first principles based simulation on a box of up to 512 particles has been performed to complement the experimental data. From that large box, a smaller 64-particle box has then been simulated over a runtime of 60 ps. A good agreement between calculated and neutron data on the level of spectral shape has been obtained. The obtained sodium diffusion coefficients agree very well. The simulation predicts a fluorine diffusion coefficient similar to the sodium one. Applying the Nernst-Einstein equation, a remarkable large cross correlation between both ions can be deduced. The velocity cross correlations demonstrate a positive correlation between the ions over a period of 0.1 ps. That strong correlation is evidence that the unlike ions do not move completely statistically independent and have a strong association over a short period of time.
Magota, Keiichi; Shiga, Tohru; Asano, Yukari; Shinyama, Daiki; Ye, Jinghan; Perkins, Amy E; Maniawski, Piotr J; Toyonaga, Takuya; Kobayashi, Kentaro; Hirata, Kenji; Katoh, Chietsugu; Hattori, Naoya; Tamaki, Nagara
2017-12-01
In 3-dimensional PET/CT imaging of the brain with 15 O-gas inhalation, high radioactivity in the face mask creates cold artifacts and affects the quantitative accuracy when scatter is corrected by conventional methods (e.g., single-scatter simulation [SSS] with tail-fitting scaling [TFS-SSS]). Here we examined the validity of a newly developed scatter-correction method that combines SSS with a scaling factor calculated by Monte Carlo simulation (MCS-SSS). Methods: We performed phantom experiments and patient studies. In the phantom experiments, a plastic bottle simulating a face mask was attached to a cylindric phantom simulating the brain. The cylindric phantom was filled with 18 F-FDG solution (3.8-7.0 kBq/mL). The bottle was filled with nonradioactive air or various levels of 18 F-FDG (0-170 kBq/mL). Images were corrected either by TFS-SSS or MCS-SSS using the CT data of the bottle filled with nonradioactive air. We compared the image activity concentration in the cylindric phantom with the true activity concentration. We also performed 15 O-gas brain PET based on the steady-state method on patients with cerebrovascular disease to obtain quantitative images of cerebral blood flow and oxygen metabolism. Results: In the phantom experiments, a cold artifact was observed immediately next to the bottle on TFS-SSS images, where the image activity concentrations in the cylindric phantom were underestimated by 18%, 36%, and 70% at the bottle radioactivity levels of 2.4, 5.1, and 9.7 kBq/mL, respectively. At higher bottle radioactivity, the image activity concentrations in the cylindric phantom were greater than 98% underestimated. For the MCS-SSS, in contrast, the error was within 5% at each bottle radioactivity level, although the image generated slight high-activity artifacts around the bottle when the bottle contained significantly high radioactivity. In the patient imaging with 15 O 2 and C 15 O 2 inhalation, cold artifacts were observed on TFS-SSS images, whereas
Single Crystal Diffuse Neutron Scattering
Directory of Open Access Journals (Sweden)
Richard Welberry
2018-01-01
Full Text Available Diffuse neutron scattering has become a valuable tool for investigating local structure in materials ranging from organic molecular crystals containing only light atoms to piezo-ceramics that frequently contain heavy elements. Although neutron sources will never be able to compete with X-rays in terms of the available flux the special properties of neutrons, viz. the ability to explore inelastic scattering events, the fact that scattering lengths do not vary systematically with atomic number and their ability to scatter from magnetic moments, provides strong motivation for developing neutron diffuse scattering methods. In this paper, we compare three different instruments that have been used by us to collect neutron diffuse scattering data. Two of these are on a spallation source and one on a reactor source.
Monte Carlo simulations of neutron scattering instruments
International Nuclear Information System (INIS)
Aestrand, Per-Olof; Copenhagen Univ.; Lefmann, K.; Nielsen, K.
2001-01-01
A Monte Carlo simulation is an important computational tool used in many areas of science and engineering. The use of Monte Carlo techniques for simulating neutron scattering instruments is discussed. The basic ideas, techniques and approximations are presented. Since the construction of a neutron scattering instrument is very expensive, Monte Carlo software used for design of instruments have to be validated and tested extensively. The McStas software was designed with these aspects in mind and some of the basic principles of the McStas software will be discussed. Finally, some future prospects are discussed for using Monte Carlo simulations in optimizing neutron scattering experiments. (R.P.)
Vector Monte Carlo simulations on atmospheric scattering of polarization qubits.
Li, Ming; Lu, Pengfei; Yu, Zhongyuan; Yan, Lei; Chen, Zhihui; Yang, Chuanghua; Luo, Xiao
2013-03-01
In this paper, a vector Monte Carlo (MC) method is proposed to study the influence of atmospheric scattering on polarization qubits for satellite-based quantum communication. The vector MC method utilizes a transmittance method to solve the photon free path for an inhomogeneous atmosphere and random number sampling to determine whether the type of scattering is aerosol scattering or molecule scattering. Simulations are performed for downlink and uplink. The degrees and the rotations of polarization are qualitatively and quantitatively obtained, which agree well with the measured results in the previous experiments. The results show that polarization qubits are well preserved in the downlink and uplink, while the number of received single photons is less than half of the total transmitted single photons for both links. Moreover, our vector MC method can be applied for the scattering of polarized light in other inhomogeneous random media.
An algorithm to determine backscattering ratio and single scattering albedo
Digital Repository Service at National Institute of Oceanography (India)
Suresh, T.; Desa, E.; Matondkar, S.G.P.; Mascarenhas, A.A.M.Q.; Nayak, S.R.; Naik, P.
Algorithms to determine the inherent optical properties of water, backscattering probability and single scattering albedo at 490 and 676 nm from the apparent optical property, remote sensing reflectance are presented here. The measured scattering...
Loughman, R. P.; Bhartia, P. K.; Moy, L.; Kramarova, N. A.; Wargan, K.
2016-12-01
Many remote sensing techniques used to monitor the Earth's upper atmosphere fall into the broad category of "limb viewing" (LV) measurements, which includes any method for which the line of sight (LOS) fails to intersect the surface. Occultation, limb emission and limb scattering (LS) measurements are all LV methods that offer strong sensitivity to changes in the atmosphere near the tangent point of the LOS, due to the enhanced geometric path through the tangent layer (where the concentration also typically peaks, for most atmospheric species). But many of the retrieval algorithms used to interpret LV measurements assume that the atmosphere consists of "spherical shells", in which the atmospheric properties vary only with altitude (creating a 1D atmosphere). This assumption simplifies the analysis, but at the possible price of misinterpreting measurements made in the real atmosphere. In this presentation, we focus on the problem of LOS inhomogeneity for LS measurements made by the OMPS Limb Profiler (LP) instrument during the 2015 ozone hole period. The GSLS radiative transfer model (RTM) used in the default OMPS LP algorithms assumes a spherical-shell atmosphere defined at levels spaced 1 km apart, with extinction coefficients assumed to vary linearly with height between levels. Several recent improvements enable an updated single-scattering version of the GSLS RTM to ingest 3D MERRA-2 analysis fields (including temperature, pressure, and ozone concentration) when creating the model atmosphere, by introducing flexible altitude grids, flexible atmospheric specification along the LOS, and improved treatment of the radiative transfer within each atmospheric layer. As a result, the effect of LOS inhomogeneity on the current (1D) OMPS LP retrieval algorithm can now be studied theoretically, using realistic 3D atmospheric profiles. This work also represents a step towards enabling OMPS LP data to be ingested as part of future data assimilation efforts.
Role of electron-electron scattering on spin transport in single layer graphene
Directory of Open Access Journals (Sweden)
Bahniman Ghosh
2014-01-01
Full Text Available In this work, the effect of electron-electron scattering on spin transport in single layer graphene is studied using semi-classical Monte Carlo simulation. The D’yakonov-P’erel mechanism is considered for spin relaxation. It is found that electron-electron scattering causes spin relaxation length to decrease by 35% at 300 K. The reason for this decrease in spin relaxation length is that the ensemble spin is modified upon an e-e collision and also e-e scattering rate is greater than phonon scattering rate at room temperature, which causes change in spin relaxation profile due to electron-electron scattering.
Simulation of multiple scattering background in heavy ion backscattering spectrometry
International Nuclear Information System (INIS)
Li, M.M.; O'Connor, D.J.
1999-01-01
With the development of heavy ion backscattering spectrometry (HIBS) for the detection of trace quantities of heavy-atom impurities on Si surfaces, it is necessary to quantify the multiple scattering contribution to the spectral background. In the present work, the Monte Carlo computer simulation program TRIM has been used to study the backscattering spectrum and the multiple scattering background features for heavy ions C, Ne, Si, Ar and Kr impinging on four types of targets: (1) a single ultra-thin (free standing) Au film of 10 A thickness, (2) a 10 A Au film on a 50 A Si surface, (3) a 10 A Au film on an Si substrate (10 000 A), and (4) a thick target (10 000 A) of pure Si. The ratio of the signal from the Au thin layer to the background due to multiple scattering has been derived by fitting the simulation results. From the simulation results, it is found that the Au film contributes to the background which the Si plays a role in developing due to the ion's multiple scattering in the substrate. Such a background is generated neither by only the Au thin layer nor by the pure Si substrate independently. The corresponding mechanism of multiple scattering in the target can be explained as one large-angle scattering in the Au layer and subsequently several small angle scatterings in the substrate. This study allows an appropriate choice of incident beam species and energy range when the HIBS is utilized to analyse low level impurities in Si wafers
Directory of Open Access Journals (Sweden)
Jingjuan Liao
2015-07-01
Full Text Available We developed a polarimetric coherent electromagnetic scattering model for Poyang Lake wetland vegetation. Realistic canopy structures including curved leaves and the lodging situation of the vegetation were taken into account, and the situation at the ground surface was established using an Advanced Integral Equation Model combined with Oh’s 2002 model. This new model can reasonably describe the coherence effect caused by the phase differences of the electromagnetic fields scattered from different particles by different scattering mechanisms. We obtained good agreement between the modeling results and C-band data from the Radarsat-2 satellite. A simulation of scattering from the vegetation in Poyang Lake showed that direct vegetation scattering and the single-ground-bounce mechanism are the dominant scattering mechanisms in the C-band and L-band, while the effects of the double-ground-bounce mechanism are very small. We note that the curvature of the leaves and the lodging characteristics of the vegetation cannot be ignored in the modeling process. Monitoring soil moisture in the Poyang Lake wetland with the C-band data was not feasible because of the density and depth of Poyang Lake vegetation. When the density of Poyang Lake Carex increases, the backscattering coefficient either decreases or remains stable.
International Nuclear Information System (INIS)
Jayaswal, B.; Mazumder, S.
1998-09-01
Small-angle scattering data from strong scattering systems, e.g. porous materials, cannot be analysed invoking single scattering approximation as specimen needed to replicate the bulk matrix in essential properties are too thick to validate the approximation. The presence of multiple scattering is indicated by invalidity of the functional invariance property of the observed scattering profile with variation of sample thickness and/or wave length of the probing radiation. This article delineates how non accounting of multiple scattering affects the results of analysis and then how to correct the data for its effect. It deals with an algorithm to extract single scattering profile from small-angle scattering data affected by multiple scattering. The algorithm can process the scattering data and deduce single scattering profile in absolute scale. A software package, SIMSAS, is introduced for executing this inversion step. This package is useful both to simulate and to analyse multiple small-angle scattering data. (author)
Single spin asymmetries in semi-inclusive deep inelastic scattering
International Nuclear Information System (INIS)
Mulders, P.J.
1998-01-01
In this talk I want to illustrate the many possibilities for studying the structure of hadrons in hard scattering processes by giving a number of examples involving increasing complexity in the demands for particle polarization, particle identification or polarimetry. In particular the single spin asymmetries will be discussed. The measurements discussed in this talk are restricted to lepton-hadron scattering, but can be found in various other hard processes such as Drell-Yan scattering or e + e - annihilation. (author)
Compton-scatter tissue densitometry: calculation of single and multiple scatter photon fluences
International Nuclear Information System (INIS)
Battista, J.J.; Bronskill, M.J.
1978-01-01
The accurate measurement of in vivo electron densities by the Compton-scatter method is limited by attenuations and multiple scattering in the patient. Using analytic and Monte Carlo calculation methods, the Clarke tissue density scanner has been modelled for incident monoenergetic photon energies from 300 to 2000 keV and for mean scattering angles of 30 to 130 degrees. For a single detector focussed to a central position in a uniform water phantom (25 x 25 x 25 cm 3 ) it has been demonstrated that: (1) Multiple scatter contamination is an inherent limitation of the Compton-scatter method of densitometry which can be minimised, but not eliminated, by improving the energy resolution of the scattered radiation detector. (2) The choice of the incident photon energy is a compromise between the permissible radiation dose to the patient and the tolerable level of multiple scatter contamination. For a mean scattering angle of 40 degrees, the intrinsic multiple-single scatter ratio decreases from 64 to 35%, and the radiation dose (per measurement) increases from 1.0 to 4.1 rad, as the incident photon energy increases from 300 to 2000 keV. These doses apply to a sampled volume of approximately 0.3 cm 3 and an electron density precision of 0.5%. (3) The forward scatter densitometer configuration is optimum, minimising both the dose and the multiple scatter contamination. For an incident photon energy of 1250 keV, the intrinsic multiple-single scatter ratio reduces from 122 to 27%, and the dose reduces from 14.3 to 1.2 rad, as the mean scattering angle decreases from 130 to 30 degrees. These calculations have been confirmed by experimental measurements. (author)
The single scattering properties of the aerosol particles as aggregated spheres
International Nuclear Information System (INIS)
Wu, Y.; Gu, X.; Cheng, T.; Xie, D.; Yu, T.; Chen, H.; Guo, J.
2012-01-01
The light scattering and absorption properties of anthropogenic aerosol particles such as soot aggregates are complicated in the temporal and spatial distribution, which introduce uncertainty of radiative forcing on global climate change. In order to study the single scattering properties of anthorpogenic aerosol particles, the structures of these aerosols such as soot paticles and soot-containing mixtures with the sulfate or organic matter, are simulated using the parallel diffusion limited aggregation algorithm (DLA) based on the transmission electron microscope images (TEM). Then, the single scattering properties of randomly oriented aerosols, such as scattering matrix, single scattering albedo (SSA), and asymmetry parameter (AP), are computed using the superposition T-matrix method. The comparisons of the single scattering properties of these specific types of clusters with different morphological and chemical factors such as fractal parameters, aspect ratio, monomer radius, mixture mode and refractive index, indicate that these different impact factors can respectively generate the significant influences on the single scattering properties of these aerosols. The results show that aspect ratio of circumscribed shape has relatively small effect on single scattering properties, for both differences of SSA and AP are less than 0.1. However, mixture modes of soot clusters with larger sulfate particles have remarkably important effects on the scattering and absorption properties of aggregated spheres, and SSA of those soot-containing mixtures are increased in proportion to the ratio of larger weakly absorbing attachments. Therefore, these complex aerosols come from man made pollution cannot be neglected in the aerosol retrievals. The study of the single scattering properties on these kinds of aggregated spheres is important and helpful in remote sensing observations and atmospheric radiation balance computations.
Monte Carlo simulation of neutron scattering instruments
International Nuclear Information System (INIS)
Seeger, P.A.; Daemen, L.L.; Hjelm, R.P. Jr.
1998-01-01
A code package consisting of the Monte Carlo Library MCLIB, the executing code MC RUN, the web application MC Web, and various ancillary codes is proposed as an open standard for simulation of neutron scattering instruments. The architecture of the package includes structures to define surfaces, regions, and optical elements contained in regions. A particle is defined by its vector position and velocity, its time of flight, its mass and charge, and a polarization vector. The MC RUN code handles neutron transport and bookkeeping, while the action on the neutron within any region is computed using algorithms that may be deterministic, probabilistic, or a combination. Complete versatility is possible because the existing library may be supplemented by any procedures a user is able to code. Some examples are shown
Development of gamma-ray absorption and scattering simulation platform based on MCNP
International Nuclear Information System (INIS)
Lai Wanchang; Chen Henggui; Zhang Zhen; Chen Xiaoqiang
2010-01-01
It describes a γ-ray absorption and scattering simulation platform centering on MCNP, and developed corresponding accessories on the basis of the MCNP. Simulation of this simulation platform can be 93 kinds of single-quality materials and 2-3 kinds of multi-element mixture absorption experiment, simulating the absorption thickness of 0-100cm, and the thickness increment in 0.001cm. The media of Scattering Simulation is from the Li to the Am, the angle between the simulation measuring degree and incident ray direction is from-90 to 90, the angle in increments in 1 degree. (authors)
Higginson, Drew P.
2017-11-01
We describe and justify a full-angle scattering (FAS) method to faithfully reproduce the accumulated differential angular Rutherford scattering probability distribution function (pdf) of particles in a plasma. The FAS method splits the scattering events into two regions. At small angles it is described by cumulative scattering events resulting, via the central limit theorem, in a Gaussian-like pdf; at larger angles it is described by single-event scatters and retains a pdf that follows the form of the Rutherford differential cross-section. The FAS method is verified using discrete Monte-Carlo scattering simulations run at small timesteps to include each individual scattering event. We identify the FAS regime of interest as where the ratio of temporal/spatial scale-of-interest to slowing-down time/length is from 10-3 to 0.3-0.7; the upper limit corresponds to Coulomb logarithm of 20-2, respectively. Two test problems, high-velocity interpenetrating plasma flows and keV-temperature ion equilibration, are used to highlight systems where including FAS is important to capture relevant physics.
A hybrid approach to simulate multiple photon scattering in X-ray imaging
International Nuclear Information System (INIS)
Freud, N.; Letang, J.-M.; Babot, D.
2005-01-01
A hybrid simulation approach is proposed to compute the contribution of scattered radiation in X- or γ-ray imaging. This approach takes advantage of the complementarity between the deterministic and probabilistic simulation methods. The proposed hybrid method consists of two stages. Firstly, a set of scattering events occurring in the inspected object is determined by means of classical Monte Carlo simulation. Secondly, this set of scattering events is used as a starting point to compute the energy imparted to the detector, with a deterministic algorithm based on a 'forced detection' scheme. For each scattering event, the probability for the scattered photon to reach each pixel of the detector is calculated using well-known physical models (form factor and incoherent scattering function approximations, in the case of Rayleigh and Compton scattering respectively). The results of the proposed hybrid approach are compared to those obtained with the Monte Carlo method alone (Geant4 code) and found to be in excellent agreement. The convergence of the results when the number of scattering events increases is studied. The proposed hybrid approach makes it possible to simulate the contribution of each type (Compton or Rayleigh) and order of scattering, separately or together, with a single PC, within reasonable computation times (from minutes to hours, depending on the number of pixels of the detector). This constitutes a substantial benefit, compared to classical simulation methods (Monte Carlo or deterministic approaches), which usually requires a parallel computing architecture to obtain comparable results
A hybrid approach to simulate multiple photon scattering in X-ray imaging
Energy Technology Data Exchange (ETDEWEB)
Freud, N. [CNDRI, Laboratory of Nondestructive Testing using Ionizing Radiations, INSA-Lyon Scientific and Technical University, Bat. Antoine de Saint-Exupery, 20, avenue Albert Einstein, 69621 Villeurbanne Cedex (France)]. E-mail: nicolas.freud@insa-lyon.fr; Letang, J.-M. [CNDRI, Laboratory of Nondestructive Testing using Ionizing Radiations, INSA-Lyon Scientific and Technical University, Bat. Antoine de Saint-Exupery, 20, avenue Albert Einstein, 69621 Villeurbanne Cedex (France); Babot, D. [CNDRI, Laboratory of Nondestructive Testing using Ionizing Radiations, INSA-Lyon Scientific and Technical University, Bat. Antoine de Saint-Exupery, 20, avenue Albert Einstein, 69621 Villeurbanne Cedex (France)
2005-01-01
A hybrid simulation approach is proposed to compute the contribution of scattered radiation in X- or {gamma}-ray imaging. This approach takes advantage of the complementarity between the deterministic and probabilistic simulation methods. The proposed hybrid method consists of two stages. Firstly, a set of scattering events occurring in the inspected object is determined by means of classical Monte Carlo simulation. Secondly, this set of scattering events is used as a starting point to compute the energy imparted to the detector, with a deterministic algorithm based on a 'forced detection' scheme. For each scattering event, the probability for the scattered photon to reach each pixel of the detector is calculated using well-known physical models (form factor and incoherent scattering function approximations, in the case of Rayleigh and Compton scattering respectively). The results of the proposed hybrid approach are compared to those obtained with the Monte Carlo method alone (Geant4 code) and found to be in excellent agreement. The convergence of the results when the number of scattering events increases is studied. The proposed hybrid approach makes it possible to simulate the contribution of each type (Compton or Rayleigh) and order of scattering, separately or together, with a single PC, within reasonable computation times (from minutes to hours, depending on the number of pixels of the detector). This constitutes a substantial benefit, compared to classical simulation methods (Monte Carlo or deterministic approaches), which usually requires a parallel computing architecture to obtain comparable results.
A Hierarchical Volumetric Shadow Algorithm for Single Scattering
Baran, Ilya; Chen, Jiawen; Ragan-Kelley, Jonathan Millar; Durand, Fredo; Lehtinen, Jaakko
2010-01-01
Volumetric effects such as beams of light through participating media are an important component in the appearance of the natural world. Many such effects can be faithfully modeled by a single scattering medium. In the presence of shadows, rendering these effects can be prohibitively expensive: current algorithms are based on ray marching, i.e., integrating the illumination scattered towards the camera along each view ray, modulated by visibility to the light source at each sample. Visibility...
Perim de Faria, Julia; Bundke, Ulrich; Onasch, Timothy B.; Freedman, Andrew; Petzold, Andreas
2016-04-01
The necessity to quantify the direct impact of aerosol particles on climate forcing is already well known; assessing this impact requires continuous and systematic measurements of the aerosol optical properties. Two of the main parameters that need to be accurately measured are the aerosol optical depth and single scattering albedo (SSA, defined as the ratio of particulate scattering to extinction). The measurement of single scattering albedo commonly involves the measurement of two optical parameters, the scattering and the absorption coefficients. Although there are well established technologies to measure both of these parameters, the use of two separate instruments with different principles and uncertainties represents potential sources of significant errors and biases. Based on the recently developed cavity attenuated phase shift particle extinction monitor (CAPS PM_{ex) instrument, the CAPS PM_{ssa instrument combines the CAPS technology to measure particle extinction with an integrating sphere capable of simultaneously measuring the scattering coefficient of the same sample. The scattering channel is calibrated to the extinction channel, such that the accuracy of the single scattering albedo measurement is only a function of the accuracy of the extinction measurement and the nephelometer truncation losses. This gives the instrument an accurate and direct measurement of the single scattering albedo. In this study, we assess the measurements of both the extinction and scattering channels of the CAPS PM_{ssa through intercomparisons with Mie theory, as a fundamental comparison, and with proven technologies, such as integrating nephelometers and filter-based absorption monitors. For comparison, we use two nephelometers, a TSI 3563 and an Aurora 4000, and two measurements of the absorption coefficient, using a Particulate Soot Absorption Photometer (PSAP) and a Multi Angle Absorption Photometer (MAAP). We also assess the indirect absorption coefficient
He, L.; Arvidson, R. E.; O'Sullivan, J. A.
2018-04-01
We use a neural network (NN) approach to simultaneously retrieve surface single scattering albedos and temperature maps for CRISM data from 1.40 to 3.85 µm. It approximates the inverse of DISORT which simulates solar and emission radiative streams.
Single particle analysis with a 3600 light scattering photometer
International Nuclear Information System (INIS)
Bartholdi, M.F.
1979-06-01
Light scattering by single spherical homogeneous particles in the diameter range 1 to 20 μm and relative refractive index 1.20 is measured. Particle size of narrowly dispersed populations is determined and a multi-modal dispersion of five components is completely analyzed. A 360 0 light scattering photometer for analysis of single particles has been designed and developed. A fluid stream containing single particles intersects a focused laser beam at the primary focal point of an ellipsoidal reflector ring. The light scattered at angles theta = 2.5 0 to 177.5 0 at phi = 0 0 and 180 0 is reflected onto a circular array of photodiodes. The ellipsoidal reflector is situated in a chamber filled with fluid matching that of the stream to minimize refracting and reflecting interfaces. The detector array consists of 60 photodiodes each subtending 3 0 in scattering angle on 6 0 centers around 360 0 . 32 measurements on individual particles can be acquired at rates of 500 particles per second. The intensity and angular distribution of light scattered by spherical particles are indicative of size and relative refractive index. Calculations, using Lorenz--Mie theory, of differential scattering patterns integrated over angle corresponding to the detector geometry determined the instrument response to particle size. From this the expected resolution and experimental procedures are determined.Ultimately, the photometer will be utilized for identification and discrimination of biological cells based on the sensitivity of light scattering to size, shape, refractive index differences, internal granularity, and other internal morphology. This study has demonstrated the utility of the photometer and indicates potential for application to light scattering studies of biological cells
Hybrid simulation of scatter intensity in industrial cone-beam computed tomography
International Nuclear Information System (INIS)
Thierry, R.; Miceli, A.; Hofmann, J.; Flisch, A.; Sennhauser, U.
2009-01-01
A cone-beam computed tomography (CT) system using a 450 kV X-ray tube has been developed to challenge the three-dimensional imaging of parts of the automotive industry in short acquisition time. Because the probability of detecting scattered photons is high regarding the energy range and the area of detection, a scattering correction becomes mandatory for generating reliable images with enhanced contrast detectability. In this paper, we present a hybrid simulator for the fast and accurate calculation of the scattering intensity distribution. The full acquisition chain, from the generation of a polyenergetic photon beam, its interaction with the scanned object and the energy deposit in the detector is simulated. Object phantoms can be spatially described in form of voxels, mathematical primitives or CAD models. Uncollided radiation is treated with a ray-tracing method and scattered radiation is split into single and multiple scattering. The single scattering is calculated with a deterministic approach accelerated with a forced detection method. The residual noisy signal is subsequently deconvoluted with the iterative Richardson-Lucy method. Finally the multiple scattering is addressed with a coarse Monte Carlo (MC) simulation. The proposed hybrid method has been validated on aluminium phantoms with varying size and object-to-detector distance, and found in good agreement with the MC code Geant4. The acceleration achieved by the hybrid method over the standard MC on a single projection is approximately of three orders of magnitude.
Effective single scattering albedo estimation using regional climate model
CSIR Research Space (South Africa)
Tesfaye, M
2011-09-01
Full Text Available In this study, by modifying the optical parameterization of Regional Climate model (RegCM), the authors have computed and compared the Effective Single-Scattering Albedo (ESSA) which is a representative of VIS spectral region. The arid, semi...
Monte Carlo simulation of neutron scattering instruments
International Nuclear Information System (INIS)
Seeger, P.A.
1995-01-01
A library of Monte Carlo subroutines has been developed for the purpose of design of neutron scattering instruments. Using small-angle scattering as an example, the philosophy and structure of the library are described and the programs are used to compare instruments at continuous wave (CW) and long-pulse spallation source (LPSS) neutron facilities. The Monte Carlo results give a count-rate gain of a factor between 2 and 4 using time-of-flight analysis. This is comparable to scaling arguments based on the ratio of wavelength bandwidth to resolution width
SCAP-82, Single Scattering, Albedo Scattering, Point-Kernel Analysis in Complex Geometry
International Nuclear Information System (INIS)
Disney, R.K.; Vogtman, S.E.
1987-01-01
1 - Description of problem or function: SCAP solves for radiation transport in complex geometries using the single or albedo scatter point kernel method. The program is designed to calculate the neutron or gamma ray radiation level at detector points located within or outside a complex radiation scatter source geometry or a user specified discrete scattering volume. Geometry is describable by zones bounded by intersecting quadratic surfaces within an arbitrary maximum number of boundary surfaces per zone. Anisotropic point sources are describable as pointwise energy dependent distributions of polar angles on a meridian; isotropic point sources may also be specified. The attenuation function for gamma rays is an exponential function on the primary source leg and the scatter leg with a build- up factor approximation to account for multiple scatter on the scat- ter leg. The neutron attenuation function is an exponential function using neutron removal cross sections on the primary source leg and scatter leg. Line or volumetric sources can be represented as a distribution of isotropic point sources, with un-collided line-of-sight attenuation and buildup calculated between each source point and the detector point. 2 - Method of solution: A point kernel method using an anisotropic or isotropic point source representation is used, line-of-sight material attenuation and inverse square spatial attenuation between the source point and scatter points and the scatter points and detector point is employed. A direct summation of individual point source results is obtained. 3 - Restrictions on the complexity of the problem: - The SCAP program is written in complete flexible dimensioning so that no restrictions are imposed on the number of energy groups or geometric zones. The geometric zone description is restricted to zones defined by boundary surfaces defined by the general quadratic equation or one of its degenerate forms. The only restriction in the program is that the total
Simulation of a complete inelastic neutron scattering experiment
DEFF Research Database (Denmark)
Edwards, H.; Lefmann, K.; Lake, B.
2002-01-01
A simulation of an inelastic neutron scattering experiment on the high-temperature superconductor La2-xSrxCuO4 is presented. The complete experiment, including sample, is simulated using an interface between the experiment control program and the simulation software package (McStas) and is compared...... with the experimental data. Simulating the entire experiment is an attractive alternative to the usual method of convoluting the model cross section with the resolution function, especially if the resolution function is nontrivial....
International Nuclear Information System (INIS)
Adam, L.-E.; Brix, G.
1999-01-01
The correction of scattered radiation is one of the most challenging tasks in 3D positron emission tomography (PET) and knowledge about the amount of scatter and its distribution is a prerequisite for performing an accurate correction. One concern in 3D PET in contrast to 2D PET is the scatter contribution from activity outside the field-of-view (FOV) and multiple scatter. Using Monte Carlo simulations, we examined the scatter distribution for various phantoms. The simulations were performed for a whole-body PET system (ECAT EXACT HR + , Siemens/CTI) with an axial FOV of 15.5 cm and a ring diameter of 82.7 cm. With (without) interplane septa, up to one (two) out of three detected events are scattered (for a centred point source in a water-filled cylinder that nearly fills out the patient port), whereby the relative scatter fraction varies significantly with the axial position. Our results show that for an accurate scatter correction, activity as well as scattering media outside the FOV have to be taken into account. Furthermore it could be shown that there is a considerable amount of multiple scatter which has a different spatial distribution from single scatter. This means that multiple scatter cannot be corrected by simply rescaling the single scatter component. (author)
Rough surface scattering simulations using graphics cards
International Nuclear Information System (INIS)
Klapetek, Petr; Valtr, Miroslav; Poruba, Ales; Necas, David; Ohlidal, Miloslav
2010-01-01
In this article we present results of rough surface scattering calculations using a graphical processing unit implementation of the Finite Difference in Time Domain algorithm. Numerical results are compared to real measurements and computational performance is compared to computer processor implementation of the same algorithm. As a basis for computations, atomic force microscope measurements of surface morphology are used. It is shown that the graphical processing unit capabilities can be used to speedup presented computationally demanding algorithms without loss of precision.
Elastic scattering of electrons from singly ionized argon
International Nuclear Information System (INIS)
Griffin, D.C.; Pindzola, M.S.
1996-01-01
Recently, Greenwood et al. [Phys. Rev. Lett. 75, 1062 (1995)] reported measurements of large-angle elastic scattering of electrons from singly ionized argon at an energy of 3.3 eV. They compared their results for the differential cross section with cross sections determined using phase shifts obtained from two different scattering potentials and found large discrepancies between theory and experiment at large angles. They state that these differences may be due to the effects of polarization of the target, which are not included in their calculations, as well as inaccurate representations of electron exchange in the local scattering potentials that are employed to determine the phase shifts. In order to test these proposed explanations of the discrepancies, we have carried out calculations of elastic scattering from Ar + using the R-matrix method. We compare both a single-state calculation, which does not include polarization, and a 17-state calculation, in which the effects of dipole polarizability are included through the use of polarization pseudostates within the close-coupling expansion, to each other and with the measurements. We find some differences between the two calculations at intermediate scattering angles, but very close agreement at angles above 100 degree. Although the calculated cross sections agree with experiment between 120 degree and 135 degree, large discrepancies persist at angles above 135 degree. We conclude that the differences between the measurements and theory cannot be explained on the basis of an inaccurate representation of electron exchange or polarization of the target. copyright 1996 The American Physical Society
Scattering of energetic ions by solids: a simulation
International Nuclear Information System (INIS)
Pearce, J.G.; Shaar, Z.; Crosbie, R.E.
1977-01-01
Digital computer simulation of an experiment is described which measures the energy-intensity distribution of noble gas ions scattered by crystalline solids. The discussion emphasizes the simulation techniques employed (in particular, the choice of integration method), the methods of relating computer input data to the experimental variables, and the transformation of computer results into a form directly comparable to experimental data
Monte Carlo simulations of multiple scattering effects in ERD measurements
International Nuclear Information System (INIS)
Doyle, Barney Lee; Arstila, Kai.; Nordlumd, K.; Knapp, James Arthur
2003-01-01
Multiple scattering effects in ERD measurements are studied by comparing two Monte Carlo simulation codes, representing different approaches to obtain acceptable statistics, to experimental spectra measured from a HfO 2 sample with a time-of-flight-ERD setup. The results show that both codes can reproduce the absolute detection yields and the energy distributions in an adequate way. The effect of the choice of the interatomic potential in multiple scattering effects is also studied. Finally the capabilities of the MC simulations in the design of new measurement setups are demonstrated by simulating the recoil energy spectra from a WC x N y sample with a low energy heavy ion beam.
Epp: A C++ EGSnrc user code for x-ray imaging and scattering simulations
International Nuclear Information System (INIS)
Lippuner, Jonas; Elbakri, Idris A.; Cui Congwu; Ingleby, Harry R.
2011-01-01
Purpose: Easy particle propagation (Epp) is a user code for the EGSnrc code package based on the C++ class library egspp. A main feature of egspp (and Epp) is the ability to use analytical objects to construct simulation geometries. The authors developed Epp to facilitate the simulation of x-ray imaging geometries, especially in the case of scatter studies. While direct use of egspp requires knowledge of C++, Epp requires no programming experience. Methods: Epp's features include calculation of dose deposited in a voxelized phantom and photon propagation to a user-defined imaging plane. Projection images of primary, single Rayleigh scattered, single Compton scattered, and multiple scattered photons may be generated. Epp input files can be nested, allowing for the construction of complex simulation geometries from more basic components. To demonstrate the imaging features of Epp, the authors simulate 38 keV x rays from a point source propagating through a water cylinder 12 cm in diameter, using both analytical and voxelized representations of the cylinder. The simulation generates projection images of primary and scattered photons at a user-defined imaging plane. The authors also simulate dose scoring in the voxelized version of the phantom in both Epp and DOSXYZnrc and examine the accuracy of Epp using the Kawrakow-Fippel test. Results: The results of the imaging simulations with Epp using voxelized and analytical descriptions of the water cylinder agree within 1%. The results of the Kawrakow-Fippel test suggest good agreement between Epp and DOSXYZnrc. Conclusions: Epp provides the user with useful features, including the ability to build complex geometries from simpler ones and the ability to generate images of scattered and primary photons. There is no inherent computational time saving arising from Epp, except for those arising from egspp's ability to use analytical representations of simulation geometries. Epp agrees with DOSXYZnrc in dose calculation, since
Forward scattering of polarized light from a turbid slab: theory and Monte Carlo simulations.
Otsuki, Soichi
2016-12-20
It is proved that if reciprocity and mirror symmetry hold for single scattering by a particle, they also hold for multiple scattering in turbid slab media. Monte Carlo simulations generate a reduced effective Mueller matrix for forward scattering, which satisfies reciprocity and mirror symmetry, but satisfies only reciprocity if the medium contains chiral components. The scattering matrix was factorized by using the Lu-Chipman polar decomposition, which affords the polarization parameters as a function of the radial distance from the center. The depolarization coefficients decrease with increasing distance, whereas the scattering-induced linear diattenuation and retardance become larger in the middle-distance range. The optical rotation for a chiral medium increases with increasing distance.
A Rutherford Scattering Simulation with Microcomputer Graphics.
Calle, Carlos I.; Wright, Lavonia F.
1989-01-01
Lists a program for a simulation of Rutherford's gold foil experiment in BASIC for both Apple II and IBM compatible computers. Compares Rutherford's model of the atom with Thompson's plum pudding model of the atom. (MVL)
Software for simulation and design of neutron scattering instrumentation
DEFF Research Database (Denmark)
Bertelsen, Mads
designed using the software. The Union components uses a new approach to simulation of samples in McStas. The properties of a sample are split into geometrical and material, simplifying user input, and allowing the construction of complicated geometries such as sample environments. Multiple scattering...... from conventional choices. Simulation of neutron scattering instrumentation is used when designing instrumentation, but also to understand instrumental effects on the measured scattering data. The Monte Carlo ray-tracing package McStas is among the most popular, capable of simulating the path of each...... neutron through the instrument using an easy to learn language. The subject of the defended thesis is contributions to the McStas language in the form of the software package guide_bot and the Union components.The guide_bot package simplifies the process of optimizing neutron guides by writing the Mc...
Implementation of stimulated Raman scattering microscopy for single cell analysis
D'Arco, Annalisa; Ferrara, Maria Antonietta; Indolfi, Maurizio; Tufano, Vitaliano; Sirleto, Luigi
2017-05-01
In this work, we present successfully realization of a nonlinear microscope, not purchasable in commerce, based on stimulated Raman scattering. It is obtained by the integration of a femtosecond SRS spectroscopic setup with an inverted research microscope equipped with a scanning unit. Taking account of strength of vibrational contrast of SRS, it provides label-free imaging of single cell analysis. Validation tests on images of polystyrene beads are reported to demonstrate the feasibility of the approach. In order to test the microscope on biological structures, we report and discuss the label-free images of lipid droplets inside fixed adipocyte cells.
Measuring the complex field scattered by single submicron particles
Energy Technology Data Exchange (ETDEWEB)
Potenza, Marco A. C., E-mail: marco.potenza@unimi.it; Sanvito, Tiziano [Department of Physics, University of Milan, via Celoria, 16 – I-20133 Milan (Italy); CIMAINA, University of Milan, via Celoria, 16 – I-20133 Milan (Italy); EOS s.r.l., viale Ortles 22/4, I-20139 Milan (Italy); Pullia, Alberto [Department of Physics, University of Milan, via Celoria, 16 – I-20133 Milan (Italy)
2015-11-15
We describe a method for simultaneous measurements of the real and imaginary parts of the field scattered by single nanoparticles illuminated by a laser beam, exploiting a self-reference interferometric scheme relying on the fundamentals of the Optical Theorem. Results obtained with calibrated spheres of different materials are compared to the expected values obtained through a simplified analytical model without any free parameters, and the method is applied to a highly polydisperse water suspension of Poly(D,L-lactide-co-glycolide) nanoparticles. Advantages with respect to existing methods and possible applications are discussed.
Determining Complex Structures using Docking Method with Single Particle Scattering Data
Directory of Open Access Journals (Sweden)
Haiguang Liu
2017-04-01
Full Text Available Protein complexes are critical for many molecular functions. Due to intrinsic flexibility and dynamics of complexes, their structures are more difficult to determine using conventional experimental methods, in contrast to individual subunits. One of the major challenges is the crystallization of protein complexes. Using X-ray free electron lasers (XFELs, it is possible to collect scattering signals from non-crystalline protein complexes, but data interpretation is more difficult because of unknown orientations. Here, we propose a hybrid approach to determine protein complex structures by combining XFEL single particle scattering data with computational docking methods. Using simulations data, we demonstrate that a small set of single particle scattering data collected at random orientations can be used to distinguish the native complex structure from the decoys generated using docking algorithms. The results also indicate that a small set of single particle scattering data is superior to spherically averaged intensity profile in distinguishing complex structures. Given the fact that XFEL experimental data are difficult to acquire and at low abundance, this hybrid approach should find wide applications in data interpretations.
Efficient SPECT scatter calculation in non-uniform media using correlated Monte Carlo simulation
International Nuclear Information System (INIS)
Beekman, F.J.
1999-01-01
Accurate simulation of scatter in projection data of single photon emission computed tomography (SPECT) is computationally extremely demanding for activity distribution in non-uniform dense media. This paper suggests how the computation time and memory requirements can be significantly reduced. First the scatter projection of a uniform dense object (P SDSE ) is calculated using a previously developed accurate and fast method which includes all orders of scatter (slab-derived scatter estimation), and then P SDSE is transformed towards the desired projection P which is based on the non-uniform object. The transform of P SDSE is based on two first-order Compton scatter Monte Carlo (MC) simulated projections. One is based on the uniform object (P u ) and the other on the object with non-uniformities (P ν ). P is estimated by P-tilde=P SDSE P ν /P u . A tremendous decrease in noise in P-tilde is achieved by tracking photon paths for P ν identical to those which were tracked for the calculation of P u and by using analytical rather than stochastic modelling of the collimator. The method was validated by comparing the results with standard MC-simulated scatter projections (P) of 99m Tc and 201 Tl point sources in a digital thorax phantom. After correction, excellent agreement was obtained between P-tilde and P. The total computation time required to calculate an accurate scatter projection of an extended distribution in a thorax phantom on a PC is a only few tens of seconds per projection, which makes the method attractive for application in accurate scatter correction in clinical SPECT. Furthermore, the method removes the need of excessive computer memory involved with previously proposed 3D model-based scatter correction methods. (author)
Simulation of inverse Compton scattering and its implications on the scattered linewidth
Ranjan, N.; Terzić, B.; Krafft, G. A.; Petrillo, V.; Drebot, I.; Serafini, L.
2018-03-01
Rising interest in inverse Compton sources has increased the need for efficient models that properly quantify the behavior of scattered radiation given a set of interaction parameters. The current state-of-the-art simulations rely on Monte Carlo-based methods, which, while properly expressing scattering behavior in high-probability regions of the produced spectra, may not correctly simulate such behavior in low-probability regions (e.g. tails of spectra). Moreover, sampling may take an inordinate amount of time for the desired accuracy to be achieved. In this paper, we present an analytic derivation of the expression describing the scattered radiation linewidth and propose a model to describe the effects of horizontal and vertical emittance on the properties of the scattered radiation. We also present an improved version of the code initially reported in Krafft et al. [Phys. Rev. Accel. Beams 19, 121302 (2016), 10.1103/PhysRevAccelBeams.19.121302], that can perform the same simulations as those present in cain and give accurate results in low-probability regions by integrating over the emissions of the electrons. Finally, we use these codes to carry out simulations that closely verify the behavior predicted by the analytically derived scaling law.
Scattering from objects and surfaces in room acoustical simulations
DEFF Research Database (Denmark)
Marbjerg, Gerd Høy; Brunskog, Jonas; Jeong, Cheol-Ho
2016-01-01
been implemented in the simulation tool PARISM (Phased Acoustical Radiosity and Image Source Method). Scattering from objects and surfaces is likely to be strongly frequency dependent and the frequency dependence can depend on their sizes, shapes and structure. The importance of the frequency...
Polarized Raman scattering of single ZnO nanorod
International Nuclear Information System (INIS)
Yu, J. L.; Lai, Y. F.; Wang, Y. Z.; Cheng, S. Y.; Chen, Y. H.
2014-01-01
Polarized Raman scattering measurement on single wurtzite c-plane (001) ZnO nanorod grown by hydrothermal method has been performed at room temperature. The polarization dependence of the intensity of the Raman scattering for the phonon modes A 1 (TO), E 1 (TO), and E 2 high in the ZnO nanorod are obtained. The deviations of polarization-dependent Raman spectroscopy from the prediction of Raman selection rules are observed, which can be attributed to the structure defects in the ZnO nanorod as confirmed by the comparison of the transmission electron microscopy, photoluminescence spectra as well as the polarization dependent Raman signal of the annealed and unannealed ZnO nanorod. The Raman tensor elements of A 1 (TO) and E 1 (TO) phonon modes normalized to that of the E 2 high phonon mode are |a/d|=0.32±0.01, |b/d|=0.49±0.02, and |c/d|=0.23±0.01 for the unannealed ZnO nanorod, and |a/d|=0.33±0.01, |b/d|=0.45±0.01, and |c/d|=0.20±0.01 for the annealed ZnO nanorod, which shows strong anisotropy compared to that of bulk ZnO epilayer
The single-angle neutron scattering facility at Pelindaba
International Nuclear Information System (INIS)
Hofmeyr, C.; Mayer, R.M.; Tillwick, D.L.; Starkey, J.R.
1978-05-01
The small-angle neutron scattering facility at the SAFARI-1 reactor is described in detail, and with reference to theoretical and practical design considerations. Inexpensive copper microwave guides used as a guide-pipe for slow neutrons provided the basis for a useful though comparatively simple facility. The neutron-spectrum characteristics of the final facility in different configurations of the guide-pipe (both S and single-curved) agree wel with expected values based on results obtained with a test facility. The design, construction, installation and alignment of various components of the facility are outlined, as well as intensity optimisation. A general description is given of experimental procedures and data-aquisition electronics for the four-position sample holder and counter array of up to 18 3 He detectors and a beam monitor [af
Coherent anti-Stokes Raman scattering microscopy of single nanodiamonds
Pope, Iestyn; Payne, Lukas; Zoriniants, George; Thomas, Evan; Williams, Oliver; Watson, Peter; Langbein, Wolfgang; Borri, Paola
2014-11-01
Nanoparticles have attracted enormous attention for biomedical applications as optical labels, drug-delivery vehicles and contrast agents in vivo. In the quest for superior photostability and biocompatibility, nanodiamonds are considered one of the best choices due to their unique structural, chemical, mechanical and optical properties. So far, mainly fluorescent nanodiamonds have been utilized for cell imaging. However, their use is limited by the efficiency and costs in reliably producing fluorescent defect centres with stable optical properties. Here, we show that single non-fluorescing nanodiamonds exhibit strong coherent anti-Stokes Raman scattering (CARS) at the sp3 vibrational resonance of diamond. Using correlative light and electron microscopy, the relationship between CARS signal strength and nanodiamond size is quantified. The calibrated CARS signal in turn enables the analysis of the number and size of nanodiamonds internalized in living cells in situ, which opens the exciting prospect of following complex cellular trafficking pathways quantitatively.
Coherent anti-Stokes Raman scattering microscopy of single nanodiamonds.
Pope, Iestyn; Payne, Lukas; Zoriniants, George; Thomas, Evan; Williams, Oliver; Watson, Peter; Langbein, Wolfgang; Borri, Paola
2014-11-01
Nanoparticles have attracted enormous attention for biomedical applications as optical labels, drug-delivery vehicles and contrast agents in vivo. In the quest for superior photostability and biocompatibility, nanodiamonds are considered one of the best choices due to their unique structural, chemical, mechanical and optical properties. So far, mainly fluorescent nanodiamonds have been utilized for cell imaging. However, their use is limited by the efficiency and costs in reliably producing fluorescent defect centres with stable optical properties. Here, we show that single non-fluorescing nanodiamonds exhibit strong coherent anti-Stokes Raman scattering (CARS) at the sp(3) vibrational resonance of diamond. Using correlative light and electron microscopy, the relationship between CARS signal strength and nanodiamond size is quantified. The calibrated CARS signal in turn enables the analysis of the number and size of nanodiamonds internalized in living cells in situ, which opens the exciting prospect of following complex cellular trafficking pathways quantitatively.
Simulation of ion beam scattering in a gas stripper
Energy Technology Data Exchange (ETDEWEB)
Maxeiner, Sascha, E-mail: maxeiner@phys.ethz.ch; Suter, Martin; Christl, Marcus; Synal, Hans-Arno
2015-10-15
Ion beam scattering in the gas stripper of an accelerator mass spectrometer (AMS) enlarges the beam phase space and broadens its energy distribution. As the size of the injected beam depends on the acceleration voltage through phase space compression, the stripper becomes a limiting factor of the overall system transmission especially for low energy AMS system in the sub MV region. The spatial beam broadening and collisions with the accelerator tube walls are a possible source for machine background and energy loss fluctuations influence the mass resolution and thus isotope separation. To investigate the physical processes responsible for these effects, a computer simulation approach was chosen. Monte Carlo simulation methods are applied to simulate elastic two body scattering processes in screened Coulomb potentials in a (gas) stripper and formulas are derived to correctly determine random collision parameters and free path lengths for arbitrary (and non-homogeneous) gas densities. A simple parametric form for the underlying scattering cross sections is discussed which features important scaling behaviors. An implementation of the simulation was able to correctly model the data gained with the TANDY AMS system at ETH Zurich. The experiment covered transmission measurements of uranium ions in helium and beam profile measurements after the ion beam passed through the He-stripper. Beam profiles measured up to very high stripper densities could be understood in full system simulations including the relevant ion optics. The presented model therefore simulates the fundamental physics of the interaction between an ion beam and a gas stripper reliably. It provides a powerful and flexible tool for optimizing existing AMS stripper geometries and for designing new, state of the art low energy AMS systems.
Wave optics simulation of statistically rough surface scatter
Lanari, Ann M.; Butler, Samuel D.; Marciniak, Michael; Spencer, Mark F.
2017-09-01
The bidirectional reflectance distribution function (BRDF) describes optical scatter from surfaces by relating the incident irradiance to the exiting radiance over the entire hemisphere. Laboratory verification of BRDF models and experimentally populated BRDF databases are hampered by sparsity of monochromatic sources and ability to statistically control the surface features. Numerical methods are able to control surface features, have wavelength agility, and via Fourier methods of wave propagation, may be used to fill the knowledge gap. Monte-Carlo techniques, adapted from turbulence simulations, generate Gaussian distributed and correlated surfaces with an area of 1 cm2 , RMS surface height of 2.5 μm, and correlation length of 100 μm. The surface is centered inside a Kirchhoff absorbing boundary with an area of 16 cm2 to prevent wrap around aliasing in the far field. These surfaces are uniformly illuminated at normal incidence with a unit amplitude plane-wave varying in wavelength from 3 μm to 5 μm. The resultant scatter is propagated to a detector in the far field utilizing multi-step Fresnel Convolution and observed at angles from -2 μrad to 2 μrad. The far field scatter is compared to both a physical wave optics BRDF model (Modified Beckmann Kirchhoff) and two microfacet BRDF Models (Priest, and Cook-Torrance). Modified Beckmann Kirchhoff, which accounts for diffraction, is consistent with simulated scatter for multiple wavelengths for RMS surface heights greater than λ/2. The microfacet models, which assume geometric optics, are less consistent across wavelengths. Both model types over predict far field scatter width for RMS surface heights less than λ/2.
Johns, Maureen; Liu, Hanli
2003-07-01
When light interacts with tissue, it can be absorbed, scattered or reflected. Such quantitative information can be used to characterize the optical properties of tissue, differentiate tissue types in vivo, and identify normal versus diseased tissue. The purpose of this research is to develop an algorithm that determines the reduced scattering coefficient (μs") of tissues from a single optical reflectance spectrum with a small source-detector separation. The basic relationship between μs" and optical reflectance was developed using Monte Carlo simulations. This produced an analytical equation containing μs" as a function of reflectance. To experimentally validate this relationship, a 1.3-mm diameter fiber optic probe containing two 400-micron diameter fibers was used to deliver light to and collect light from Intralipid solutions of various concentrations. Simultaneous measurements from optical reflectance and an ISS oximeter were performed to validate the calculated μs" values determined by the reflectance measurement against the 'gold standard" ISS readings. The calculated μs" values deviate from the expected values by approximately -/+ 5% with Intralipid concentrations between 0.5 - 2.5%. The scattering properties within this concentration range are similar to those of in vivo tissues. Additional calculations are performed to determine the scattering properties of rat brain tissues and to discuss accuracy of the algorithm for measured samples with a broad range of the absorption coefficient (μa).
Determination of the optical properties of turbid media from a single Monte Carlo simulation
International Nuclear Information System (INIS)
Kienle, A.; Patterson, M.S.
1996-01-01
We describe a fast, accurate method for determination of the optical coefficients of 'semi-infinite' and 'infinite' turbid media. For the particular case of time-resolved reflectance from a biological medium, we show that a single Monte Carlo simulation can be used to fit the data and to derive the absorption and reduced scattering coefficients. Tests with independent Monte Carlo simulations showed that the errors in the deduced absorption and reduced scattering coefficients are smaller than 1% and 2%, respectively. (author)
Multiple scattering of low energy rare gas ions: a comparison of experiment and computer simulation
International Nuclear Information System (INIS)
Heiland, W.; Taglauer, E.; Robinson, M.T.
1976-01-01
Some aspects of ion scattering below a few keV have been interpreted by multiple scattering. This can partly be simulated by chain or string models, where the single crystal surface is replaced by a chain of atoms. The computer program MARLOWE allows a simulation of solid-ion interaction, which is much closer to reality, e.g. the crystal is three-dimensional, includes lattice vibrations, electronic stopping power, different scattering potentials, etc. It is shown that the energy of the reflected ions as a function of the primary energy, lattice constant, impact angle and scattering angle can be understood within the string model. These results of the string model are confirmed by the MARLOWE calculations. For an interpretation of the measured intensities the simple string model is insufficient, whereas with MARLOWE reasonable agreement with experimental data may be achieved, if the thermal vibrations of the lattice atoms are taken into account. The experimental data include Ne + →Ni, Ne + →Ag and preliminary data on Ne + →W. The screening parameters of the scattering potentials are estimated for these ion-atom combinations. The results allow some conclusions about surface Debye temperatures. (Auth.)
Cannaday, Ashley E.; Draham, Robert; Berger, Andrew J.
2016-04-01
The goal of this project is to estimate non-nuclear organelle size distributions in single cells by measuring angular scattering patterns and fitting them with Mie theory. Simulations have indicated that the large relative size distribution of organelles (mean:width≈2) leads to unstable Mie fits unless scattering is collected at polar angles less than 20 degrees. Our optical system has therefore been modified to collect angles down to 10 degrees. Initial validations will be performed on polystyrene bead populations whose size distributions resemble those of cell organelles. Unlike with the narrow bead distributions that are often used for calibration, we expect to see an order-of-magnitude improvement in the stability of the size estimates as the minimum angle decreases from 20 to 10 degrees. Scattering patterns will then be acquired and analyzed from single cells (EMT6 mouse cancer cells), both fixed and live, at multiple time points. Fixed cells, with no changes in organelle sizes over time, will be measured to determine the fluctuation level in estimated size distribution due to measurement imperfections alone. Subsequent measurements on live cells will determine whether there is a higher level of fluctuation that could be attributed to dynamic changes in organelle size. Studies on unperturbed cells are precursors to ones in which the effects of exogenous agents are monitored over time.
Thermal neutron scattering kernels for sapphire and silicon single crystals
International Nuclear Information System (INIS)
Cantargi, F.; Granada, J.R.; Mayer, R.E.
2015-01-01
Highlights: • Thermal cross section libraries for sapphire and silicon single crystals were generated. • Debye model was used to represent the vibrational frequency spectra to feed the NJOY code. • Sapphire total cross section was measured at Centro Atómico Bariloche. • Cross section libraries were validated with experimental data available. - Abstract: Sapphire and silicon are materials usually employed as filters in facilities with thermal neutron beams. Due to the lack of the corresponding thermal cross section libraries for those materials, necessary in calculations performed in order to optimize beams for specific applications, here we present the generation of new thermal neutron scattering kernels for those materials. The Debye model was used in both cases to represent the vibrational frequency spectra required to feed the NJOY nuclear data processing system in order to produce the corresponding libraries in ENDF and ACE format. These libraries were validated with available experimental data, some from the literature and others obtained at the pulsed neutron source at Centro Atómico Bariloche
DISCUS, Neutron Single to Double Scattering Ratio in Inelastic Scattering Experiment by Monte-Carlo
International Nuclear Information System (INIS)
Johnson, M.W.
1993-01-01
1 - Description of problem or function: DISCUS calculates the ratio of once-scattered to twice-scattered neutrons detected in an inelastic neutron scattering experiment. DISCUS also calculates the flux of once-scattered neutrons that would have been observed if there were no absorption in the sample and if, once scattered, the neutron would emerge without further re-scattering or absorption. Three types of sample geometry are used: an infinite flat plate, a finite flat plate or a finite length cylinder. (The infinite flat plate is included for comparison with other multiple scattering programs.) The program may be used for any sample for which the scattering law is of the form S(/Q/, omega). 2 - Method of solution: Monte Carlo with importance sampling is used. Neutrons are 'forced' both into useful angular trajectories, and useful energy bins. Biasing of the collision point according to the point of entry of the neutron into the sample is also utilised. The first and second order scattered neutron fluxes are calculated in independent histories. For twice-scattered neutron histories a square distribution in Q-omega space is used to sample the neutron coming from the first scattering event, whilst biasing is used for the second scattering event. (A square distribution is used so as to obtain reasonable inelastic-inelastic statistics.) 3 - Restrictions on the complexity of the problem: Unlimited number of detectors. Max. size of (Q, omega) matrix is 39*149. Max. number of points in momentum space for the scattering cross section is 199
Seasonal variation of the single scattering albedo of the Jungfraujoch aerosol
Energy Technology Data Exchange (ETDEWEB)
Collaud Coen, M.; Weingartner, E.; Corrigan, C.; Baltensperger, U.
2003-03-01
The single scattering albedo ({omega}{sub 0}) represents the fraction of the light extinction due to scattering. It is there-fore a key parameter to estimate the aerosol direct radiative forcing. The seasonal and diurnal variation of the single scattering albedo was calculated for the Jungfraujoch dry aerosol, which is representative for clean remote continental conditions. The values of {omega}{sub 0} vary between 0.7 and 0.9 depending on the season and on the wavelength. (author)
Real-time simulator for designing electron dual scattering foil systems.
Carver, Robert L; Hogstrom, Kenneth R; Price, Michael J; LeBlanc, Justin D; Pitcher, Garrett M
2014-11-08
The purpose of this work was to develop a user friendly, accurate, real-time com- puter simulator to facilitate the design of dual foil scattering systems for electron beams on radiotherapy accelerators. The simulator allows for a relatively quick, initial design that can be refined and verified with subsequent Monte Carlo (MC) calculations and measurements. The simulator also is a powerful educational tool. The simulator consists of an analytical algorithm for calculating electron fluence and X-ray dose and a graphical user interface (GUI) C++ program. The algorithm predicts electron fluence using Fermi-Eyges multiple Coulomb scattering theory with the reduced Gaussian formalism for scattering powers. The simulator also estimates central-axis and off-axis X-ray dose arising from the dual foil system. Once the geometry of the accelerator is specified, the simulator allows the user to continuously vary primary scattering foil material and thickness, secondary scat- tering foil material and Gaussian shape (thickness and sigma), and beam energy. The off-axis electron relative fluence or total dose profile and central-axis X-ray dose contamination are computed and displayed in real time. The simulator was validated by comparison of off-axis electron relative fluence and X-ray percent dose profiles with those calculated using EGSnrc MC. Over the energy range 7-20 MeV, using present foils on an Elekta radiotherapy accelerator, the simulator was able to reproduce MC profiles to within 2% out to 20 cm from the central axis. The central-axis X-ray percent dose predictions matched measured data to within 0.5%. The calculation time was approximately 100 ms using a single Intel 2.93 GHz processor, which allows for real-time variation of foil geometrical parameters using slider bars. This work demonstrates how the user-friendly GUI and real-time nature of the simulator make it an effective educational tool for gaining a better understanding of the effects that various system
Detailed Monte Carlo simulation of electron elastic scattering
International Nuclear Information System (INIS)
Chakarova, R.
1994-04-01
A detailed Monte Carlo model is described which simulates the transport of electrons penetrating a medium without energy loss. The trajectory of each electron is constructed as a series of successive interaction events - elastic or inelastic scattering. Differential elastic scattering cross sections, elastic and inelastic mean free paths are used to describe the interaction process. It is presumed that the cross sections data are available and the Monte Carlo algorithm does not include their evaluation. Electrons suffering successive elastic collisions are followed until they escape from the medium or (if the absorption is negligible) their path length exceeds a certain value. The inelastic events are thus treated as absorption. The medium geometry is a layered infinite slab. The electron source could be an incident electron beam or electrons created inside the material. The objective is to obtain the angular distribution, the path length and depth distribution and the collision number distribution of electrons emitted through the surface of the medium. The model is applied successfully to electrons with energy between 0.4 and 20 keV reflected from semi-infinite homogeneous materials with different scattering properties. 16 refs, 9 figs
Fast sampling algorithm for the simulation of photon Compton scattering
International Nuclear Information System (INIS)
Brusa, D.; Salvat, F.
1996-01-01
A simple algorithm for the simulation of Compton interactions of unpolarized photons is described. The energy and direction of the scattered photon, as well as the active atomic electron shell, are sampled from the double-differential cross section obtained by Ribberfors from the relativistic impulse approximation. The algorithm consistently accounts for Doppler broadening and electron binding effects. Simplifications of Ribberfors' formula, required for efficient random sampling, are discussed. The algorithm involves a combination of inverse transform, composition and rejection methods. A parameterization of the Compton profile is proposed from which the simulation of Compton events can be performed analytically in terms of a few parameters that characterize the target atom, namely shell ionization energies, occupation numbers and maximum values of the one-electron Compton profiles. (orig.)
International Nuclear Information System (INIS)
Sanchez-Lara, R; Alvarez-Chavez, J A; Mendez-Martinez, F; De la Cruz-May, L; Perez-Sanchez, G G
2015-01-01
The behavior of stimulated Brillouin scattering (SBS) and Rayleigh backscattering phenomena, which limit the forward transmission power in modern, ultra-long haul optical communication systems such as dense wavelength division multiplexing systems is analyzed via simulation and experimental investigation of threshold and maximum power. Evolution of SBS, Rayleigh scattering and forward powers are experimentally investigated with a 25 km segment of single mode fiber. Also, a simple algorithm to predict the generation of SBS is proposed where two criteria of power thresholds was used for comparison with experimental data. (paper)
Otsuki, Soichi
2016-02-01
This paper presents a theory describing totally incoherent multiple scattering of turbid spherical samples. It is proved that if reciprocity and mirror symmetry hold for single scattering by a particle, they also hold for multiple scattering in spherical samples. Monte Carlo simulations generate a reduced effective scattering Mueller matrix, which virtually satisfies reciprocity and mirror symmetry. The scattering matrix was factorized by using the symmetric decomposition in a predefined form, as well as the Lu-Chipman polar decomposition, approximately into a product of a pure depolarizer and vertically oriented linear retarding diattenuators. The parameters of these components were calculated as a function of the polar angle. While the turbid spherical sample is a pure depolarizer at low polar angles, it obtains more functions of the retarding diattenuator with increasing polar angle.
Monte Carlo simulation of fast neutron scattering experiments including DD-breakup neutrons
Energy Technology Data Exchange (ETDEWEB)
Schmidt, D.; Siebert, B.R.L.
1993-06-01
The computational simulation of the deuteron breakup in a scattering experiment has been investigated. Experimental breakup spectra measured at 16 deuteron energies and at 7 angles for each energy served as the data base. Analysis of these input data and of the conditions of the scattering experiment made it possible to reduce the input data. The use of one weighted breakup spectrum is sufficient to simulate the scattering spectra at one incident neutron energy. A number of tests were carried out to prove the validity of this result. The simulation of neutron scattering on carbon, including the breakup, was compared with measured spectra. Differences between calculated and measured spectra were for the most part within the experimental uncertainties. Certain significant deviations can be attributed to erroneous scattering cross sections taken from an evaluation and used in the simulation. Scattering on higher-lying states in [sup 12]C can be analyzed by subtracting the simulated breakup-scattering from the experimental spectra. (orig.)
Monte Carlo simulation of fast neutron scattering experiments including DD-breakup neutrons
International Nuclear Information System (INIS)
Schmidt, D.; Siebert, B.R.L.
1993-06-01
The computational simulation of the deuteron breakup in a scattering experiment has been investigated. Experimental breakup spectra measured at 16 deuteron energies and at 7 angles for each energy served as the data base. Analysis of these input data and of the conditions of the scattering experiment made it possible to reduce the input data. The use of one weighted breakup spectrum is sufficient to simulate the scattering spectra at one incident neutron energy. A number of tests were carried out to prove the validity of this result. The simulation of neutron scattering on carbon, including the breakup, was compared with measured spectra. Differences between calculated and measured spectra were for the most part within the experimental uncertainties. Certain significant deviations can be attributed to erroneous scattering cross sections taken from an evaluation and used in the simulation. Scattering on higher-lying states in 12 C can be analyzed by subtracting the simulated breakup-scattering from the experimental spectra. (orig.)
Decoupling single nanowire mobilities limited by surface scattering and bulk impurity scattering
International Nuclear Information System (INIS)
Khanal, D. R.; Levander, A. X.; Wu, J.; Yu, K. M.; Liliental-Weber, Z.; Walukiewicz, W.; Grandal, J.; Sanchez-Garcia, M. A.; Calleja, E.
2011-01-01
We demonstrate the isolation of two free carrier scattering mechanisms as a function of radial band bending in InN nanowires via universal mobility analysis, where effective carrier mobility is measured as a function of effective electric field in a nanowire field-effect transistor. Our results show that Coulomb scattering limits effective mobility at most effective fields, while surface roughness scattering only limits mobility under very high internal electric fields. High-energy α particle irradiation is used to vary the ionized donor concentration, and the observed decrease in mobility and increase in donor concentration are compared to Hall effect results of high-quality InN thin films. Our results show that for nanowires with relatively high doping and large diameters, controlling Coulomb scattering from ionized dopants should be given precedence over surface engineering when seeking to maximize nanowire mobility.
Li, Pengcheng; Liu, Celong; Li, Xianpeng; He, Honghui; Ma, Hui
2016-09-20
In earlier studies, we developed scattering models and the corresponding CPU-based Monte Carlo simulation programs to study the behavior of polarized photons as they propagate through complex biological tissues. Studying the simulation results in high degrees of freedom that created a demand for massive simulation tasks. In this paper, we report a parallel implementation of the simulation program based on the compute unified device architecture running on a graphics processing unit (GPU). Different schemes for sphere-only simulations and sphere-cylinder mixture simulations were developed. Diverse optimizing methods were employed to achieve the best acceleration. The final-version GPU program is hundreds of times faster than the CPU version. Dependence of the performance on input parameters and precision were also studied. It is shown that using single precision in the GPU simulations results in very limited losses in accuracy. Consumer-level graphics cards, even those in laptop computers, are more cost-effective than scientific graphics cards for single-precision computation.
Cyclotron resonant scattering feature simulations. II. Description of the CRSF simulation process
Schwarm, F.-W.; Ballhausen, R.; Falkner, S.; Schönherr, G.; Pottschmidt, K.; Wolff, M. T.; Becker, P. A.; Fürst, F.; Marcu-Cheatham, D. M.; Hemphill, P. B.; Sokolova-Lapa, E.; Dauser, T.; Klochkov, D.; Ferrigno, C.; Wilms, J.
2017-05-01
Context. Cyclotron resonant scattering features (CRSFs) are formed by scattering of X-ray photons off quantized plasma electrons in the strong magnetic field (of the order 1012 G) close to the surface of an accreting X-ray pulsar. Due to the complex scattering cross-sections, the line profiles of CRSFs cannot be described by an analytic expression. Numerical methods, such as Monte Carlo (MC) simulations of the scattering processes, are required in order to predict precise line shapes for a given physical setup, which can be compared to observations to gain information about the underlying physics in these systems. Aims: A versatile simulation code is needed for the generation of synthetic cyclotron lines. Sophisticated geometries should be investigatable by making their simulation possible for the first time. Methods: The simulation utilizes the mean free path tables described in the first paper of this series for the fast interpolation of propagation lengths. The code is parallelized to make the very time-consuming simulations possible on convenient time scales. Furthermore, it can generate responses to monoenergetic photon injections, producing Green's functions, which can be used later to generate spectra for arbitrary continua. Results: We develop a new simulation code to generate synthetic cyclotron lines for complex scenarios, allowing for unprecedented physical interpretation of the observed data. An associated XSPEC model implementation is used to fit synthetic line profiles to NuSTAR data of Cep X-4. The code has been developed with the main goal of overcoming previous geometrical constraints in MC simulations of CRSFs. By applying this code also to more simple, classic geometries used in previous works, we furthermore address issues of code verification and cross-comparison of various models. The XSPEC model and the Green's function tables are available online (see link in footnote, page 1).
Temporary electron localization and scattering in disordered single strands of DNA
International Nuclear Information System (INIS)
Caron, Laurent; Sanche, Leon
2006-01-01
We present a theoretical study of the effect of structural and base sequence disorders on the transport properties of nonthermal electron scattering within and from single strands of DNA. The calculations are based on our recently developed formalism to treat multiple elastic scattering from simplified pseudomolecular DNA subunits. Structural disorder is shown to increase both the elastic scattering cross section and the attachment probability on the bases at low energy. Sequence disorder, however, has no significant effect
Directory of Open Access Journals (Sweden)
Guennadi Saiko
2014-01-01
Full Text Available Various scenarios of light propagation paths in turbid media (single backward scattering, multiple backward scattering, banana shape are discussed and their contributions to reflectance spectra are estimated. It has been found that a single backward or multiple forward scattering quasi-1D paths can be the major contributors to reflected spectra in wide area illumination scenario. Such a single backward scattering (SBS approximation allows developing of an analytical approach which can take into account refractive index mismatched boundary conditions and multilayer geometry and can be used for real-time spectral processing. The SBS approach can be potentially applied for the distances between the transport and reduced scattering domains. Its validation versus the Kubelka-Munk model, path integrals, and diffusion approximation of the radiation transport theory is discussed.
Radon movement simulation in overburden by the 'Scattered Packet Method'
International Nuclear Information System (INIS)
Marah, H.; Sabir, A.; Hlou, L.; Tayebi, M.
1998-01-01
The analysis of Radon ( 222 Rn) movement in overburden needs the resolution of the General Equation of Transport in porous medium, involving diffusion and convection. Generally this equation was derived and solved analytically. The 'Scattered Packed Method' is a recent mathematical method of resolution, initially developed for the electrons movements in the semiconductors studies. In this paper, we have adapted this method to simulate radon emanation in porous medium. The keys parameters are the radon concentration at the source, the diffusion coefficient, and the geometry. To show the efficiency of this method, several cases of increasing complexity are considered. This model allows to follow the migration, in the time and space, of radon produced as a function of the characteristics of the studied site. Forty soil radon measurements were taken from a North Moroccan fault. Forward modeling of the radon anomalies produces satisfactory fits of the observed data and allows the overburden thickness determination. (author)
The MCLIB library: Monte Carlo simulation of neutron scattering instruments
Energy Technology Data Exchange (ETDEWEB)
Seeger, P.A.
1995-09-01
Monte Carlo is a method to integrate over a large number of variables. Random numbers are used to select a value for each variable, and the integrand is evaluated. The process is repeated a large number of times and the resulting values are averaged. For a neutron transport problem, first select a neutron from the source distribution, and project it through the instrument using either deterministic or probabilistic algorithms to describe its interaction whenever it hits something, and then (if it hits the detector) tally it in a histogram representing where and when it was detected. This is intended to simulate the process of running an actual experiment (but it is much slower). This report describes the philosophy and structure of MCLIB, a Fortran library of Monte Carlo subroutines which has been developed for design of neutron scattering instruments. A pair of programs (LQDGEOM and MC{_}RUN) which use the library are shown as an example.
The MCLIB library: Monte Carlo simulation of neutron scattering instruments
International Nuclear Information System (INIS)
Seeger, P.A.
1995-01-01
Monte Carlo is a method to integrate over a large number of variables. Random numbers are used to select a value for each variable, and the integrand is evaluated. The process is repeated a large number of times and the resulting values are averaged. For a neutron transport problem, first select a neutron from the source distribution, and project it through the instrument using either deterministic or probabilistic algorithms to describe its interaction whenever it hits something, and then (if it hits the detector) tally it in a histogram representing where and when it was detected. This is intended to simulate the process of running an actual experiment (but it is much slower). This report describes the philosophy and structure of MCLIB, a Fortran library of Monte Carlo subroutines which has been developed for design of neutron scattering instruments. A pair of programs (LQDGEOM and MC RUN) which use the library are shown as an example
Strong paramagnon scattering in single atom Pd contacts
DEFF Research Database (Denmark)
Schendel, V.; Barreteau, Cyrille; Brandbyge, Mads
2017-01-01
Pd contacts shows a reduction with increasing bias, which gives rise to a peculiar Lambda-shaped spectrum. Supported by theoretical calculations, we correlate this finding with the lifetime of hot quasiparticles in Pd, which is strongly influenced by paramagnon scattering. In contrast to this, Co...
Measuring aniseikonia using scattering filters to simulate cataract
Wilson, Jason
2011-12-01
The relationship between anisometropia and aniseikonia (ANK) is not well understood. Ametropic cataract patients provide a unique opportunity to study this relationship after undergoing emmetropizing lens extraction. Because light scatter may affect ANK measurement in cataract patients, its effect should also be evaluated. The Basic Aniseikonia Test (BAT) was evaluated using afocal size lenses to produce specific changes in retinal height. Several light scattering devices were then evaluated to determine which produced effects most similar to cataract. Contrast sensitivity and visual acuity (VA) losses were measured with each device and compared to those reported in cataract. After determining the most appropriate light scattering device, twenty healthy patients with normal visual function were recruited to perform the BAT using the filters to simulate cataract. Cataract patients were recruited from Vision America and the University of Alabama at Birmingham School of Optometry. Patients between 20 and 75 years of age with at least 20/80 VA in each eye, ≥ 2D ametropia, and normal binocular function were recruited. Stereopsis and ANK were tested and each patient completed a symptom questionnaire. ANK measurements using afocal size lenses indicated that the BAT underestimates ANK, although the effect was minimal for vertical targets and darkened surroundings, as previously reported. Based on VA and contrast sensitivity loss, Vistech scattering filters produced changes most similar to cataract. Results of the BAT using Vistech filters demonstrated that a moderate cataract but not a mild cataract may affect the ANK measurement. ANK measurements on cataract patients indicated that those with ≥ 2 D ametropia in each eye may suffer from induced ANK after the first cataract extraction. With upcoming healthcare reform, unilateral cataract extraction may be covered, but not necessarily bilateral, depending on patient VA in each eye. However, a questionnaire about symptoms
Polarization Dependence of Surface Enhanced Raman Scattering on a Single Dielectric Nanowire
Directory of Open Access Journals (Sweden)
Hua Qi
2012-01-01
Full Text Available Our measurements of surface enhanced Raman scattering (SERS on Ga2O3 dielectric nanowires (NWs core/silver composites indicate that the SERS enhancement is highly dependent on the polarization direction of the incident laser light. The polarization dependence of the SERS signal with respect to the direction of a single NW was studied by changing the incident light angle. Further investigations demonstrate that the SERS intensity is not only dependent on the direction and wavelength of the incident light, but also on the species of the SERS active molecule. The largest signals were observed on an NW when the incident 514.5 nm light was polarized perpendicular to the length of the NW, while the opposite phenomenon was observed at the wavelength of 785 nm. Our theoretical simulations of the polarization dependence at 514.5 nm and 785 nm are in good agreement with the experimental results.
Ishimoto, Hiroshi; Adachi, Satoru; Yamaguchi, Satoru; Tanikawa, Tomonori; Aoki, Teruo; Masuda, Kazuhiko
2018-04-01
Sizes and shapes of snow particles were determined from X-ray computed microtomography (micro-CT) images, and their single-scattering properties were calculated at visible and near-infrared wavelengths using a Geometrical Optics Method (GOM). We analyzed seven snow samples including fresh and aged artificial snow and natural snow obtained from field samples. Individual snow particles were numerically extracted, and the shape of each snow particle was defined by applying a rendering method. The size distribution and specific surface area distribution were estimated from the geometrical properties of the snow particles, and an effective particle radius was derived for each snow sample. The GOM calculations at wavelengths of 0.532 and 1.242 μm revealed that the realistic snow particles had similar scattering phase functions as those of previously modeled irregular shaped particles. Furthermore, distinct dendritic particles had a characteristic scattering phase function and asymmetry factor. The single-scattering properties of particles of effective radius reff were compared with the size-averaged single-scattering properties. We found that the particles of reff could be used as representative particles for calculating the average single-scattering properties of the snow. Furthermore, the single-scattering properties of the micro-CT particles were compared to those of particle shape models using our current snow retrieval algorithm. For the single-scattering phase function, the results of the micro-CT particles were consistent with those of a conceptual two-shape model. However, the particle size dependence differed for the single-scattering albedo and asymmetry factor.
Simulation of Intelligent Single Wheel Mobile Robot
Directory of Open Access Journals (Sweden)
Maki K. Rashid
2008-11-01
Full Text Available Stabilization of a single wheel mobile robot attracted researcher attentions in robotic area. However, the budget requirements for building experimental setups capable in investigating isolated parameters and implementing others encouraged the development of new simulation methods and techniques that beat such limitations. In this work we have developed a simulation platform for testing different control tactics to stabilize a single wheel mobile robot. The graphic representation of the robot, the dynamic solution, and, the control scheme are all integrated on common computer platform using Visual Basic. Simulation indicates that we can control such robot without knowing the detail of it's internal structure or dynamics behaviour just by looking at it and using manual operation tactics. Twenty five rules are extracted and implemented using Takagi-Sugeno's fuzzy controller with significant achievement in controlling robot motion during the dynamic simulation. The resulted data from the successful implementation of the fuzzy model are used to utilize and train a neurofuzzy controller using ANFIS scheme to produce further improvement in robot performance
A database of microwave and sub-millimetre ice particle single scattering properties
Ekelund, Robin; Eriksson, Patrick
2016-04-01
Ice crystal particles are today a large contributing factor as to why cold-type clouds such as cirrus remain a large uncertainty in global climate models and measurements. The reason for this is the complex and varied morphology in which ice particles appear, as compared to liquid droplets with an in general spheroidal shape, thus making the description of electromagnetic properties of ice particles more complicated. Single scattering properties of frozen hydrometers have traditionally been approximated by representing the particles as spheres using Mie theory. While such practices may work well in radio applications, where the size parameter of the particles is generally low, comparisons with measurements and simulations show that this assumption is insufficient when observing tropospheric cloud ice in the microwave or sub-millimetre regions. In order to assist the radiative transfer and remote sensing communities, a database of single scattering properties of semi-realistic particles is being produced. The data is being produced using DDA (Discrete Dipole Approximation) code which can treat arbitrarily shaped particles, and Tmatrix code for simpler shapes when found sufficiently accurate. The aim has been to mainly cover frequencies used by the upcoming ICI (Ice Cloud Imager) mission with launch in 2022. Examples of particles to be included are columns, plates, bullet rosettes, sector snowflakes and aggregates. The idea is to treat particles with good average optical properties with respect to the multitude of particles and aggregate types appearing in nature. The database will initially only cover macroscopically isotropic orientation, but will eventually also include horizontally aligned particles. Databases of DDA particles do already exist with varying accessibility. The goal of this database is to complement existing data. Regarding the distribution of the data, the plan is that the database shall be available in conjunction with the ARTS (Atmospheric
Analyzing asteroid reflectance spectra with numerical tools based on scattering simulations
Penttilä, Antti; Väisänen, Timo; Markkanen, Johannes; Martikainen, Julia; Gritsevich, Maria; Muinonen, Karri
2017-04-01
We are developing a set of numerical tools that can be used in analyzing the reflectance spectra of granular materials such as the regolith surface of atmosphereless Solar system objects. Our goal is to be able to explain, with realistic numerical scattering models, the spectral features arising when materials are intimately mixed together. We include the space-weathering -type effects in our simulations, i.e., mixing host mineral locally with small inclusions of another material in small proportions. Our motivation for this study comes from the present lack of such tools. The current common practice is to apply a semi-physical approximate model such as some variation of Hapke models [e.g., 1] or the Shkuratov model [2]. These models are expressed in a closed form so that they are relatively fast to apply. They are based on simplifications on the radiative transfer theory. The problem is that the validity of the model is not always guaranteed, and the derived physical properties related to particle scattering properties can be unrealistic [3]. We base our numerical tool into a chain of scattering simulations. Scattering properties of small inclusions inside an absorbing host matrix can be derived using exact methods solving the Maxwell equations of the system. The next step, scattering by a single regolith grain, is solved using a geometrical optics method accounting for surface reflections, internal absorption, and possibly the internal diffuse scattering. The third step involves the radiative transfer simulations of these regolith grains in a macroscopic planar element. The chain can be continued next with shadowing simulation over the target surface elements, and finally by integrating the bidirectional reflectance distribution function over the object's shape. Most of the tools in the proposed chain already exist, and one practical task for us is to tie these together into an easy-to-use toolchain that can be publicly distributed. We plan to open the
Valdé s, Felipe; Andriulli, Francesco P.; Bagci, Hakan; Michielssen, Eric
2013-01-01
Single-source time-domain electric-and magnetic-field integral equations for analyzing scattering from homogeneous penetrable objects are presented. Their temporal discretization is effected by using shifted piecewise polynomial temporal basis
Recent single ARM electron scattering experiments at Saclay
International Nuclear Information System (INIS)
Frois, B.
1981-07-01
Some recent electron scattering experiments at intermediate energies performed at the Saclay linear accelerator (ALS) are presented. First the definitive results of the measurements of the size of valence orbits by magnetic elastic electron scattering are discussed and followed by an overview of the study of charge distributions in closed shell nuclei. These results are among the most stringent experimental tests of nuclear theory because they probe without ambiguity the shape of nuclei. Then, it is shown how the details of the transition densities of the first excited states of 152 Sm have been brought out by very high momentum transfer experiments. Finally, the results of the investigation of mesonic degrees of freedom in deuterium and helium-3 are presented
Energy Technology Data Exchange (ETDEWEB)
Gallmeier, F.X., E-mail: gallmeierfz@ornl.gov [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Iverson, E.B.; Lu, W. [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Baxter, D.V. [Center for the Exploration of Energy and Matter, Indiana University, Bloomington, IN 47408 (United States); Muhrer, G.; Ansell, S. [European Spallation Source, ESS AB, Lund (Sweden)
2016-04-01
Neutron transport simulation codes are indispensable tools for the design and construction of modern neutron scattering facilities and instrumentation. Recently, it has become increasingly clear that some neutron instrumentation has started to exploit physics that is not well-modeled by the existing codes. In particular, the transport of neutrons through single crystals and across interfaces in MCNP(X), Geant4, and other codes ignores scattering from oriented crystals and refractive effects, and yet these are essential phenomena for the performance of monochromators and ultra-cold neutron transport respectively (to mention but two examples). In light of these developments, we have extended the MCNPX code to include a single-crystal neutron scattering model and neutron reflection/refraction physics. We have also generated silicon scattering kernels for single crystals of definable orientation. As a first test of these new tools, we have chosen to model the recently developed convoluted moderator concept, in which a moderating material is interleaved with layers of perfect crystals to provide an exit path for neutrons moderated to energies below the crystal's Bragg cut–off from locations deep within the moderator. Studies of simple cylindrical convoluted moderator systems of 100 mm diameter and composed of polyethylene and single crystal silicon were performed with the upgraded MCNPX code and reproduced the magnitude of effects seen in experiments compared to homogeneous moderator systems. Applying different material properties for refraction and reflection, and by replacing the silicon in the models with voids, we show that the emission enhancements seen in recent experiments are primarily caused by the transparency of the silicon and void layers. Finally we simulated the convoluted moderator experiments described by Iverson et al. and found satisfactory agreement between the measurements and the simulations performed with the tools we have developed.
Busi, Matteo; Olsen, Ulrik L.; Knudsen, Erik B.; Frisvad, Jeppe R.; Kehres, Jan; Dreier, Erik S.; Khalil, Mohamad; Haldrup, Kristoffer
2018-03-01
Spectral computed tomography is an emerging imaging method that involves using recently developed energy discriminating photon-counting detectors (PCDs). This technique enables measurements at isolated high-energy ranges, in which the dominating undergoing interaction between the x-ray and the sample is the incoherent scattering. The scattered radiation causes a loss of contrast in the results, and its correction has proven to be a complex problem, due to its dependence on energy, material composition, and geometry. Monte Carlo simulations can utilize a physical model to estimate the scattering contribution to the signal, at the cost of high computational time. We present a fast Monte Carlo simulation tool, based on McXtrace, to predict the energy resolved radiation being scattered and absorbed by objects of complex shapes. We validate the tool through measurements using a CdTe single PCD (Multix ME-100) and use it for scattering correction in a simulation of a spectral CT. We found the correction to account for up to 7% relative amplification in the reconstructed linear attenuation. It is a useful tool for x-ray CT to obtain a more accurate material discrimination, especially in the high-energy range, where the incoherent scattering interactions become prevailing (>50 keV).
International Nuclear Information System (INIS)
Ghrayeb, R.; Purushotham, M.; Hou, M.; Bauer, E.
1987-01-01
Low-energy ion scattering is used in combination with computer simulation to study the interaction potential between 600-eV potassium ions and atoms in metallic surfaces. A special algorithm is described which is used with the computer simulation code marlowes. This algorithm builds up impact areas on the simulated solid surface from which scattering cross sections can be estimated with an accuracy better than 1%. This can be done by calculating no more than a couple of thousand trajectories. The screening length in the Moliere approximation to the Thomas-Fermi potential is fitted in such a way that the ratio between the calculated cross sections for double and single scattering matches the scattering intensity ratio measured experimentally and associated with the same mechanisms. The consistency of the method is checked by repeating the procedure for different incidence conditions and also by predicting the intensities associated with other surface scattering mechanisms. The screening length estimates are found to be insensitive to thermal vibrations. The calculated ratios between scattering cross sections by different processes are suggested to be sensitive enough to the relative atomic positions in order to be useful in surface-structure characterization
Fioretti, Valentina; Mineo, Teresa; Bulgarelli, Andrea; Dondero, Paolo; Ivanchenko, Vladimir; Lei, Fan; Lotti, Simone; Macculi, Claudio; Mantero, Alfonso
2017-12-01
Low energy protons (process responsible for the grazing angle scattering processes is mandatory to evaluate the impact of such events on the performance (e.g. observation time, sensitivity) of future X-ray telescopes as the ESA ATHENA mission. The Remizovich model describes particles reflected by solids at glancing angles in terms of the Boltzmann transport equation using the diffuse approximation and the model of continuous slowing down in energy. For the first time this solution, in the approximation of no energy losses, is implemented, verified, and qualitatively validated on top of the Geant4 release 10.2, with the possibility to add a constant energy loss to each interaction. This implementation is verified by comparing the simulated proton distribution to both the theoretical probability distribution and with independent ray-tracing simulations. Both the new scattering physics and the Coulomb scattering already built in the official Geant4 distribution are used to reproduce the latest experimental results on grazing angle proton scattering. At 250 keV multiple scattering delivers large proton angles and it is not consistent with the observation. Among the tested models, the single scattering seems to better reproduce the scattering efficiency at the three energies but energy loss obtained at small scattering angles is significantly lower than the experimental values. In general, the energy losses obtained in the experiment are higher than what obtained by the simulation. The experimental data are not completely representative of the soft proton scattering experienced by current X-ray telescopes because of the lack of measurements at low energies (distribution at the exit of X-ray optics.
Single and multiple electromagnetic scattering by dielectric obstacles from a resonance perspective
International Nuclear Information System (INIS)
Riley, D.J.
1987-03-01
A new application of the singularity expansion method (SEM) is explored. This application combines the classical theory of wave propagation through a multiple-scattering environment and the SEM. Because the SEM is generally considered to be a theory for describing surface currents on conducting scatters, extensions are made which permit, under certain conditions, a singularity expansion representation for the electromagnetic field scattered by a dielectric scatterer. Application of this expansion is then made to the multiple-scattering case using both single and multiple interactions. A resonance scattering tensor form is used for the SEM description which leds to an associated tensor form for the solution to the multiple-scattering problem with each SEM pole effect appearing explicitly. The coherent field is determined for both spatial and SEM parameter random variations. A numerical example for the case of an ensemble of dielectric spheres which possess frequency-dependent loss is also made. Accurate resonance expansions for the single-scattering problem are derived, and resonance trajectories based on the Debye relaxation model for the refractive index are introduced. Application of these resonance expansions is then made to the multiple-scattering results for a slab containing a distribution of spheres with varying radii. Conditions are discussed which describe when the hybrid theory is appropriate. 53 refs., 21 figs., 9 tabs
International Nuclear Information System (INIS)
Yang, J.; Kuikka, J.T.; Vanninen, E.; Laensimies, E.; Kauppinen, T.; Patomaeki, L.
1999-01-01
Photon scatter is one of the most important factors degrading the quantitative accuracy of SPECT images. Many scatter correction methods have been proposed. The single isotope method was proposed by us. Aim: We evaluate the scatter correction method of improving the quality of images by acquiring emission and transmission data simultaneously with single isotope scan. Method: To evaluate the proposed scatter correction method, a contrast and linearity phantom was studied. Four female patients with fibromyalgia (FM) syndrome and four with chronic back pain (BP) were imaged. Grey-to-cerebellum (G/C) and grey-to-white matter (G/W) ratios were determined by one skilled operator for 12 regions of interest (ROIs) in each subject. Results: The linearity of activity response was improved after the scatter correction (r=0.999). The y-intercept value of the regression line was 0.036 (p [de
Modifying infrared scattering effects of single yeast cells with plasmonic metal mesh
Malone, Marvin A.; Prakash, Suraj; Heer, Joseph M.; Corwin, Lloyd D.; Cilwa, Katherine E.; Coe, James V.
2010-11-01
The scattering effects in the infrared (IR) spectra of single, isolated bread yeast cells (Saccharomyces cerevisiae) on a ZnSe substrate and in metal microchannels have been probed by Fourier transform infrared imaging microspectroscopy. Absolute extinction [(3.4±0.6)×10-7 cm2 at 3178 cm-1], scattering, and absorption cross sections for a single yeast cell and a vibrational absorption spectrum have been determined by comparing it to the scattering properties of single, isolated, latex microspheres (polystyrene, 5.0 μm in diameter) on ZnSe, which are well modeled by the Mie scattering theory. Single yeast cells were then placed into the holes of the IR plasmonic mesh, i.e., metal films with arrays of subwavelength holes, yielding "scatter-free" IR absorption spectra, which have undistorted vibrational lineshapes and a rising generic IR absorption baseline. Absolute extinction, scattering, and absorption spectral profiles were determined for a single, ellipsoidal yeast cell to characterize the interplay of these effects.
Ab initio simulations and neutron scattering studies of structure and dynamics in PdH
International Nuclear Information System (INIS)
Totolici, I.E.
2001-07-01
The work presented in this PhD thesis is concerned with the interpretation of the neutron scattering measurements from the palladium hydrogen system by means of ab initio electronic structure calculations. The motivation of performing such calculations was due to recent neutron scattering studies on this system that showed a strong directional dependence to the dynamical structure factor together with a complex dependence on energy. Here we attempt to describe the origin of these features by ab initio simulations of the dynamical structure factor. The method assumes an adiabatic separation of the motion of the proton and palladium atoms. The proton wave functions are calculated by a direct solution of the associated single-particle Schroedinger equation using a plane wave basis set method and a mapping of the adiabatic surface. The Fourier components of the adiabatic potential are obtained from LDA pseudopotential calculations. Using Fermi's golden rule within the Born approximation we were then able to calculate the dynamical structure factor, S(Q,ω), for exciting the proton from its ground state to various excited states as a function of the magnitude and direction of the scattering wave vector. The results are in agreement with the inelastic neutron scattering spectra and allow us to identify the origin of previous inexplicable features, in particular the strong directional dependence to the experimental data. The method was extended to investigate the expansion of the equilibrium lattice constant as a function of the H isotope when the zero-point energy of the proton/deuterium is explicitly taken into account in the relaxation process. The results we obtained predicted a bigger lattice constant for the hydride, as expected. Furthermore, other complex ab initio calculations were carried out in order to describe the origin of the large optic dispersion, seen previously in the coherent neutron scattering data. Our calculated dispersion proved to be in good
Scatter measurement and correction method for cone-beam CT based on single grating scan
Huang, Kuidong; Shi, Wenlong; Wang, Xinyu; Dong, Yin; Chang, Taoqi; Zhang, Hua; Zhang, Dinghua
2017-06-01
In cone-beam computed tomography (CBCT) systems based on flat-panel detector imaging, the presence of scatter significantly reduces the quality of slices. Based on the concept of collimation, this paper presents a scatter measurement and correction method based on single grating scan. First, according to the characteristics of CBCT imaging, the scan method using single grating and the design requirements of the grating are analyzed and figured out. Second, by analyzing the composition of object projection images and object-and-grating projection images, the processing method for the scatter image at single projection angle is proposed. In addition, to avoid additional scan, this paper proposes an angle interpolation method of scatter images to reduce scan cost. Finally, the experimental results show that the scatter images obtained by this method are accurate and reliable, and the effect of scatter correction is obvious. When the additional object-and-grating projection images are collected and interpolated at intervals of 30 deg, the scatter correction error of slices can still be controlled within 3%.
Bergstrom, Robert W.; Pilewskie, Peter; Schmid, Beat; Russell, Philip B.
2003-01-01
Using measurements of the spectral solar radiative flux and optical depth for 2 days (24 August and 6 September 2000) during the SAFARI 2000 intensive field experiment and a detailed radiative transfer model, we estimate the spectral single scattering albedo of the aerosol layer. The single scattering albedo is similar on the 2 days even though the optical depth for the aerosol layer was quite different. The aerosol single scattering albedo was between 0.85 and 0.90 at 350 nm, decreasing to 0.6 in the near infrared. The magnitude and decrease with wavelength of the single scattering albedo are consistent with the absorption properties of small black carbon particles. We estimate the uncertainty in the single scattering albedo due to the uncertainty in the measured fractional absorption and optical depths. The uncertainty in the single scattering albedo is significantly less on the high-optical-depth day (6 September) than on the low-optical-depth day (24 August). On the high-optical-depth day, the uncertainty in the single scattering albedo is 0.02 in the midvisible whereas on the low-optical-depth day the uncertainty is 0.08 in the midvisible. On both days, the uncertainty becomes larger in the near infrared. We compute the radiative effect of the aerosol by comparing calculations with and without the aerosol. The effect at the top of the atmosphere (TOA) is to cool the atmosphere by 13 W/sq m on 24 August and 17 W/sq m on 6 September. The effect on the downward flux at the surface is a reduction of 57 W/sq m on 24 August and 200 W/sq m on 6 September. The aerosol effect on the downward flux at the surface is in good agreement with the results reported from the Indian Ocean Experiment (INDOEX).
Simulation of isotropic scattering of charged particles by composed potentials
Gerasimov, O Y
2003-01-01
The analytical model of scattering of charged particles by a multicentered adiabatic potential which consists of the long-range Coulomb and short-range potentials is used for the parametrization of experiments of elastic low-energy proton-deuteron scattering. For the energies 2.26-13 MeV, the analytical expressions for the phase scattering function in terms of identical parameters which depend on the lengths and effective radii of proton-proton and proton-neutron scattering and on the effective size of deuteron are obtained. The results are in good qualitative accordance with experiments.
Single-sector thermophysiological human simulator
International Nuclear Information System (INIS)
Psikuta, Agnieszka; Richards, Mark; Fiala, Dusan
2008-01-01
Thermal sweating manikins are used to analyse the heat and mass transfer phenomena in the skin–clothing–environment system. However, the limiting factor of present thermal manikins is their inability to simulate adequately the human thermal behaviour, which has a significant effect on the clothing microenvironment. A mathematical model of the human physiology was, therefore, incorporated into the system control to simulate human thermoregulatory responses and the perception of thermal comfort over a wide range of environmental and personal conditions. Thereby, the computer model provides the physiological intelligence, while the hardware is used to measure the required calorimetric states relevant to the human heat exchange with the environment. This paper describes the development of a single-sector thermophysiological human simulator, which consists of a sweating heated cylinder 'Torso' coupled with the iesd-Fiala multi-node model of human physiology and thermal comfort. Validation tests conducted for steady-state and, to some extent, transient conditions ranging from cold to hot revealed good agreement with the corresponding experimental results obtained for semi-nude subjects. The new coupled system enables overall physiological and comfort responses, health risk and survival conditions to be predicted for adult humans for various scenarios
International Nuclear Information System (INIS)
Fu, Q.; Thorsen, T.J.; Su, J.; Ge, J.M.; Huang, J.P.
2009-01-01
We simulate the single-scattering properties (SSPs) of dust aerosols with both spheroidal and spherical shapes at a wavelength of 0.55 μm for two refractive indices and four effective radii. Herein spheres are defined by preserving both projected area and volume of a non-spherical particle. It is shown that the relative errors of the spheres to approximate the spheroids are less than 1% in the extinction efficiency and single-scattering albedo, and less than 2% in the asymmetry factor. It is found that the scattering phase function of spheres agrees with spheroids better than the Henyey-Greenstein (HG) function for the scattering angle range of 0-90 o . In the range of ∼90-180 o , the HG function is systematically smaller than the spheroidal scattering phase function while the spherical scattering phase function is smaller from ∼90 o to 145 o but larger from ∼145 o to 180 o . We examine the errors in reflectivity and absorptivity due to the use of SSPs of equivalent spheres and HG functions for dust aerosols. The reference calculation is based on the delta-DISORT-256-stream scheme using the SSPs of the spheroids. It is found that the errors are mainly caused by the use of the HG function instead of the SSPs for spheres. By examining the errors associated with the delta-four- and delta-two-stream schemes using various approximate SSPs of dust aerosols, we find that the errors related to the HG function dominate in the delta-four-stream results, while the errors related to the radiative transfer scheme dominate in the delta-two-stream calculations. We show that the relative errors in the global reflectivity due to the use of sphere SSPs are always less than 5%. We conclude that Mie-based SSPs of non-spherical dust aerosols are well suited in radiative flux calculations.
Zhao, Feng; Zou, Kai; Shang, Hong; Ji, Zheng; Zhao, Huijie; Huang, Wenjiang; Li, Cunjun
2010-10-01
In this paper we present an analytical model for the computation of radiation transfer of discontinuous vegetation canopies. Some initial results of gap probability and bidirectional gap probability of discontinuous vegetation canopies, which are important parameters determining the radiative environment of the canopies, are given and compared with a 3- D computer simulation model. In the model, negative exponential attenuation of light within individual plant canopies is assumed. Then the computation of gap probability is resolved by determining the entry points and exiting points of the ray with the individual plants via their equations in space. For the bidirectional gap probability, which determines the single-scattering contribution of the canopy, a gap statistical analysis based model was adopted to correct the dependence of gap probabilities for both solar and viewing directions. The model incorporates the structural characteristics, such as plant sizes, leaf size, row spacing, foliage density, planting density, leaf inclination distribution. Available experimental data are inadequate for a complete validation of the model. So it was evaluated with a three dimensional computer simulation model for 3D vegetative scenes, which shows good agreement between these two models' results. This model should be useful to the quantification of light interception and the modeling of bidirectional reflectance distributions of discontinuous canopies.
Structural science using single crystal and pulse neutron scattering
International Nuclear Information System (INIS)
Noda, Yukio; Kimura, Hiroyuki; Watanabe, Masashi; Ishikawa, Yoshihisa; Tamura, Itaru; Arai, Masatoshi; Takahashi, Miwako; Ohshima, Ken-ichi; Abe, Hiroshi; Kamiyama, Takashi
2008-01-01
The application to single crystal neutron structural analysis is overviewed. Special attention is paid to the pulse neutron method, which will be available soon under J-PARC project in Japan. New proposal and preliminary experiment using Sirius at KENS are described. (author)
Are snakes particles or waves? Scattering of a limbless locomotor through a single slit
Qian, Feifei; Dai, Jin; Gong, Chaohui; Choset, Howie; Goldman, Daniel
Droplets on vertically vibrated fluid surfaces can walk and diffract through a single slit by a pilot wave hydrodynamic interaction [Couder, 2006; Bush, 2015]. Inspired by the correspondence between emergent macroscale dynamics and phenomena in quantum systems, we tested if robotic snakes, which resemble wave packets, behave emergently like particles or waves when interacting with an obstacle. In lab experiments and numerical simulations we measured how a multi-module snake-like robot swam through a single slit. We controlled the snake undulation gait as a fixed serpenoid traveling wave pattern with varying amplitude and initial phase, and we examined the snake trajectory as it swam through a slit with width d. Robot trajectories were straight before interaction with the slit, then exited at different scattering angle θ after the interaction due to a complex interaction of the body wave with the slit. For fixed amplitude and large d, the snake passed through the slit with minimal interaction and theta was ~ 0 . For sufficiently small d, θ was finite and bimodally distributed, depending on the initial phase. For intermediate d, θ was sensitive to initial phase, and the width of the distribution of θ increased with decreasing d.
THE SIMULATION OF SCATTERING OF ELECTROMAGNETIC WAVES ON ANGULAR STRUCTURES.
Directory of Open Access Journals (Sweden)
P. A. Preobrazhensky
2017-02-01
Full Text Available The paper discusses the characteristics of scattering of electromagnetic waves on the angular diffraction structures. The solution of the problem is based on the method of integral equations. A comparative analysis of the scattering characteristics of structures with different shape is carried out.
Simulations, measurements, and optimization of OLEDs with scattering layer
Altazin, S.; Reynaud, C.; Mayer, U.M.; Lanz, T.; Lapagna, K.; Knaack, R.; Peninck, L.; Kirsch, C.; Pernstich, K.P.; Harkema, S.; Hermes, D.; Ruhstaller, B.
2015-01-01
A multi-scale optical model for organic light-emitting devices containing scattering layers is presented. This model describes the radiation of embedded oscillating dipoles and scattering from spherical particles. After successful model validation with experiments on a top-emitting white OLED, we
Absorption line profiles in a moving atmosphere - A single scattering linear perturbation theory
Hays, P. B.; Abreu, V. J.
1989-01-01
An integral equation is derived which linearly relates Doppler perturbations in the spectrum of atmospheric absorption features to the wind system which creates them. The perturbation theory is developed using a single scattering model, which is validated against a multiple scattering calculation. The nature and basic properties of the kernels in the integral equation are examined. It is concluded that the kernels are well behaved and that wind velocity profiles can be recovered using standard inversion techniques.
Numerical simulation of scattering wave imaging in a goaf
Institute of Scientific and Technical Information of China (English)
Li Juanjuan; Pan Dongming; Liao Taiping; Hu Mingshun; Wang Linlin
2011-01-01
Goafs are threats to safe mining. Their imaging effects or those of other complex geological bodies are often poor in conventional reflected wave images. Hence, accurate detection of goals has become an important problem, to be solved with a sense of urgency. Based on scattering theory, we used an equivalent offset method to extract Common Scattering Point gathers, in order to analyze different scattering wave characteristics between Common Scattering Point and Common Mid Point gathers and to compare stack and migration imaging effects. Our research results show that the scattering wave imaging method is more efficient than the conventional imaging method and is therefore a more effective imaging method for detecting goats and other complex geological bodies. It has important implications for safe mining procedures and infrastructures.
Mimicking multi-channel scattering with single-channel approaches
Grishkevich, Sergey; Schneider, Philipp-Immanuel; Vanne, Yulian V.; Saenz, Alejandro
2009-01-01
The collision of two atoms is an intrinsic multi-channel (MC) problem as becomes especially obvious in the presence of Feshbach resonances. Due to its complexity, however, single-channel (SC) approximations, which reproduce the long-range behavior of the open channel, are often applied in calculations. In this work the complete MC problem is solved numerically for the magnetic Feshbach resonances (MFRs) in collisions between generic ultracold 6Li and 87Rb atoms in the ground state and in the ...
Wang, R; Pillai, K; Jones, P K
1998-01-01
The purpose of this study was to examine the dose enhancement at bone-implant interfaces from scattered radiation during simulated head and neck radiotherapy. Three cylindric implant systems with different compositions (pure titanium, titanium-aluminum-vanadium alloy, titanium coated with hydroxyapatite) and a high gold content transmandibular implant system (gold-copper-silver alloy) were studied. Extruded lithium fluoride single crystal chips were used as thermoluminescent material to measure radiation dose enhancement at 0, 1, and 2 mm from the bone-implant interface. The relative doses in buccal, lingual, mesial, and distal directions were also recorded and compared. The results indicated that the highest dose enhancement occurred at a distance of 0 mm from the bone-implant interface for all the implant systems studied. The transmandibular implants had higher scattered radiation than other groups at 0 mm and at 1 mm from the bone-implant interface. There was no significant difference of dose enhancement between buccal, lingual, mesial, and distal directions. Titanium implants coated with hydroxyapatite demonstrated the best results under the simulated irradiation.
Influences of 3D PET scanner components on increased scatter evaluated by a Monte Carlo simulation
Hirano, Yoshiyuki; Koshino, Kazuhiro; Iida, Hidehiro
2017-05-01
Monte Carlo simulation is widely applied to evaluate the performance of three-dimensional positron emission tomography (3D-PET). For accurate scatter simulations, all components that generate scatter need to be taken into account. The aim of this work was to identify the components that influence scatter. The simulated geometries of a PET scanner were: a precisely reproduced configuration including all of the components; a configuration with the bed, the tunnel and shields; a configuration with the bed and shields; and the simplest geometry with only the bed. We measured and simulated the scatter fraction using two different set-ups: (1) as prescribed by NEMA-NU 2007 and (2) a similar set-up but with a shorter line source, so that all activity was contained only inside the field-of-view (FOV), in order to reduce influences of components outside the FOV. The scatter fractions for the two experimental set-ups were, respectively, 45% and 38%. Regarding the geometrical configurations, the former two configurations gave simulation results in good agreement with the experimental results, but simulation results of the simplest geometry were significantly different at the edge of the FOV. From the simulation of the precise configuration, the object (scatter phantom) was the source of more than 90% of the scatter. This was also confirmed by visualization of photon trajectories. Then, the bed and the tunnel were mainly the sources of the rest of the scatter. From the simulation results, we concluded that the precise construction was not needed; the shields, the tunnel, the bed and the object were sufficient for accurate scatter simulations.
Fast scattering simulation tool for multi-energy x-ray imaging
Energy Technology Data Exchange (ETDEWEB)
Sossin, A., E-mail: artur.sossin@cea.fr [CEA-LETI MINATEC Grenoble, F-38054 Grenoble (France); Tabary, J.; Rebuffel, V. [CEA-LETI MINATEC Grenoble, F-38054 Grenoble (France); Létang, J.M.; Freud, N. [Université de Lyon, CREATIS, CNRS UMR5220, Inserm U1044, INSA-Lyon, Université Claude Bernard Lyon 1, Centre Léon Bérard (France); Verger, L. [CEA-LETI MINATEC Grenoble, F-38054 Grenoble (France)
2015-12-01
A combination of Monte Carlo (MC) and deterministic approaches was employed as a means of creating a simulation tool capable of providing energy resolved x-ray primary and scatter images within a reasonable time interval. Libraries of Sindbad, a previously developed x-ray simulation software, were used in the development. The scatter simulation capabilities of the tool were validated through simulation with the aid of GATE and through experimentation by using a spectrometric CdTe detector. A simple cylindrical phantom with cavities and an aluminum insert was used. Cross-validation with GATE showed good agreement with a global spatial error of 1.5% and a maximum scatter spectrum error of around 6%. Experimental validation also supported the accuracy of the simulations obtained from the developed software with a global spatial error of 1.8% and a maximum error of around 8.5% in the scatter spectra.
Efficient scatter model for simulation of ultrasound images from computed tomography data
D'Amato, J. P.; Lo Vercio, L.; Rubi, P.; Fernandez Vera, E.; Barbuzza, R.; Del Fresno, M.; Larrabide, I.
2015-12-01
Background and motivation: Real-time ultrasound simulation refers to the process of computationally creating fully synthetic ultrasound images instantly. Due to the high value of specialized low cost training for healthcare professionals, there is a growing interest in the use of this technology and the development of high fidelity systems that simulate the acquisitions of echographic images. The objective is to create an efficient and reproducible simulator that can run either on notebooks or desktops using low cost devices. Materials and methods: We present an interactive ultrasound simulator based on CT data. This simulator is based on ray-casting and provides real-time interaction capabilities. The simulation of scattering that is coherent with the transducer position in real time is also introduced. Such noise is produced using a simplified model of multiplicative noise and convolution with point spread functions (PSF) tailored for this purpose. Results: The computational efficiency of scattering maps generation was revised with an improved performance. This allowed a more efficient simulation of coherent scattering in the synthetic echographic images while providing highly realistic result. We describe some quality and performance metrics to validate these results, where a performance of up to 55fps was achieved. Conclusion: The proposed technique for real-time scattering modeling provides realistic yet computationally efficient scatter distributions. The error between the original image and the simulated scattering image was compared for the proposed method and the state-of-the-art, showing negligible differences in its distribution.
Simulation of complete neutron scattering experiments: from model systems to liquid germanium
International Nuclear Information System (INIS)
Hugouvieux, V.
2004-11-01
In this thesis, both theoretical and experimental studies of liquids are done. Neutron scattering enables structural and dynamical properties of liquids to be investigated. On the theoretical side, molecular dynamics simulations are of great interest since they give positions and velocities of the atoms and the forces acting on each of them. They also enable spatial and temporal correlations to be computed and these quantities are also available from neutron scattering experiments. Consequently, the comparison can be made between results from molecular dynamics simulations and from neutron scattering experiments, in order to improve our understanding of the structure and dynamics of liquids. However, since extracting reliable data from a neutron scattering experiment is difficult, we propose to simulate the experiment as a whole, including both instrument and sample, in order to gain understanding and to evaluate the impact of the different parasitic contributions (absorption, multiple scattering associated with elastic and inelastic scattering, instrument resolution). This approach, in which the sample is described by its structure and dynamics as computed from molecular dynamics simulations, is presented and tested on isotropic model systems. Then liquid germanium is investigated by inelastic neutron scattering and both classical and ab initio molecular dynamics simulations. This enables us to simulate the experiment we performed and to evaluate the influence of the contributions from the instrument and from the sample on the detected signal. (author)
Ultrafast cone-beam CT scatter correction with GPU-based Monte Carlo simulation
Directory of Open Access Journals (Sweden)
Yuan Xu
2014-03-01
Full Text Available Purpose: Scatter artifacts severely degrade image quality of cone-beam CT (CBCT. We present an ultrafast scatter correction framework by using GPU-based Monte Carlo (MC simulation and prior patient CT image, aiming at automatically finish the whole process including both scatter correction and reconstruction within 30 seconds.Methods: The method consists of six steps: 1 FDK reconstruction using raw projection data; 2 Rigid Registration of planning CT to the FDK results; 3 MC scatter calculation at sparse view angles using the planning CT; 4 Interpolation of the calculated scatter signals to other angles; 5 Removal of scatter from the raw projections; 6 FDK reconstruction using the scatter-corrected projections. In addition to using GPU to accelerate MC photon simulations, we also use a small number of photons and a down-sampled CT image in simulation to further reduce computation time. A novel denoising algorithm is used to eliminate MC noise from the simulated scatter images caused by low photon numbers. The method is validated on one simulated head-and-neck case with 364 projection angles.Results: We have examined variation of the scatter signal among projection angles using Fourier analysis. It is found that scatter images at 31 angles are sufficient to restore those at all angles with < 0.1% error. For the simulated patient case with a resolution of 512 × 512 × 100, we simulated 5 × 106 photons per angle. The total computation time is 20.52 seconds on a Nvidia GTX Titan GPU, and the time at each step is 2.53, 0.64, 14.78, 0.13, 0.19, and 2.25 seconds, respectively. The scatter-induced shading/cupping artifacts are substantially reduced, and the average HU error of a region-of-interest is reduced from 75.9 to 19.0 HU.Conclusion: A practical ultrafast MC-based CBCT scatter correction scheme is developed. It accomplished the whole procedure of scatter correction and reconstruction within 30 seconds.----------------------------Cite this
International Nuclear Information System (INIS)
Lehtinen, Ossi; Geiger, Dorin; Lee, Zhongbo; Whitwick, Michael Brian; Chen, Ming-Wei; Kis, Andras; Kaiser, Ute
2015-01-01
Here, we present a numerical post-processing method for removing the effect of anti-symmetric residual aberrations in high-resolution transmission electron microscopy (HRTEM) images of weakly scattering 2D-objects. The method is based on applying the same aberrations with the opposite phase to the Fourier transform of the recorded image intensity and subsequently inverting the Fourier transform. We present the theoretical justification of the method, and its verification based on simulated images in the case of low-order anti-symmetric aberrations. Ultimately the method is applied to experimental hardware aberration-corrected HRTEM images of single-layer graphene and MoSe 2 resulting in images with strongly reduced residual low-order aberrations, and consequently improved interpretability. Alternatively, this method can be used to estimate by trial and error the residual anti-symmetric aberrations in HRTEM images of weakly scattering objects
SIMULATION OF THE Ku-BAND RADAR ALTIMETER SEA ICE EFFECTIVE SCATTERING SURFACE
DEFF Research Database (Denmark)
Tonboe, Rasmus; Andersen, Søren; Pedersen, Leif Toudal
2006-01-01
A radiative transfer model is used to simulate the sea ice radar altimeter effective scattering surface variability as a function of snow depth and density. Under dry snow conditions without layering these are the primary snow parameters affecting the scattering surface variability. The model is ...
Comparison of scatter doses from a multislice and a single slice CT scanner
International Nuclear Information System (INIS)
Burrage, J. W.; Causer, D. A.
2006-01-01
During shielding calculations for a new multislice CT (MSCT) scanner it was found that the manufacturer's data indicated significantly higher external scatter doses than would be generated for a single slice CT (SSCT). Even allowing for increased beam width, the manufacturer's data indicated that the scatter dose per scan was higher by a factor of about 3 to 4. The magnitude of the discrepancy was contrary to expectations and also contrary to a statement by the UK ImPACT group, which indicated that when beam width is taken into account, the scatter doses should be similar. The matter was investigated by comparing scatter doses from an SSCT and an MSCT. Scatter measurements were performed at three points using a standard perspex CTDI phantom, and CT dose indices were also measured to compare scanner output. MSCT measurements were performed with a 40 mm wide beam, SSCT measurements with a 10 mm wide beam. A film badge survey was also performed after the installation of the MSCT scanner to assess the adequacy of lead shielding in the room. It was found that the scatter doses from the MSCT were lower than indicated by the manufacturer's data. MSCT scatter doses were approximately 4 times higher than those from the SSCT, consistent with expectations due to beam width differences. The CT dose indices were similar, and the film badge survey indicated that the existing shielding, which had been adequate for the SSCT, was also adequate for the MSCT
Mimicking multichannel scattering with single-channel approaches
Grishkevich, Sergey; Schneider, Philipp-Immanuel; Vanne, Yulian V.; Saenz, Alejandro
2010-02-01
The collision of two atoms is an intrinsic multichannel (MC) problem, as becomes especially obvious in the presence of Feshbach resonances. Due to its complexity, however, single-channel (SC) approximations, which reproduce the long-range behavior of the open channel, are often applied in calculations. In this work the complete MC problem is solved numerically for the magnetic Feshbach resonances (MFRs) in collisions between generic ultracold Li6 and Rb87 atoms in the ground state and in the presence of a static magnetic field B. The obtained MC solutions are used to test various existing as well as presently developed SC approaches. It was found that many aspects even at short internuclear distances are qualitatively well reflected. This can be used to investigate molecular processes in the presence of an external trap or in many-body systems that can be feasibly treated only within the framework of the SC approximation. The applicability of various SC approximations is tested for a transition to the absolute vibrational ground state around an MFR. The conformance of the SC approaches is explained by the two-channel approximation for the MFR.
Mimicking multichannel scattering with single-channel approaches
International Nuclear Information System (INIS)
Grishkevich, Sergey; Schneider, Philipp-Immanuel; Vanne, Yulian V.; Saenz, Alejandro
2010-01-01
The collision of two atoms is an intrinsic multichannel (MC) problem, as becomes especially obvious in the presence of Feshbach resonances. Due to its complexity, however, single-channel (SC) approximations, which reproduce the long-range behavior of the open channel, are often applied in calculations. In this work the complete MC problem is solved numerically for the magnetic Feshbach resonances (MFRs) in collisions between generic ultracold 6 Li and 87 Rb atoms in the ground state and in the presence of a static magnetic field B. The obtained MC solutions are used to test various existing as well as presently developed SC approaches. It was found that many aspects even at short internuclear distances are qualitatively well reflected. This can be used to investigate molecular processes in the presence of an external trap or in many-body systems that can be feasibly treated only within the framework of the SC approximation. The applicability of various SC approximations is tested for a transition to the absolute vibrational ground state around an MFR. The conformance of the SC approaches is explained by the two-channel approximation for the MFR.
Resonance estimates for single spin asymmetries in elastic electron-nucleon scattering
International Nuclear Information System (INIS)
Barbara Pasquini; Marc Vanderhaeghen
2004-01-01
We discuss the target and beam normal spin asymmetries in elastic electron-nucleon scattering which depend on the imaginary part of two-photon exchange processes between electron and nucleon. We express this imaginary part as a phase space integral over the doubly virtual Compton scattering tensor on the nucleon. We use unitarity to model the doubly virtual Compton scattering tensor in the resonance region in terms of γ* N → π N electroabsorption amplitudes. Taking those amplitudes from a phenomenological analysis of pion electroproduction observables, we present results for beam and target normal single spin asymmetries for elastic electron-nucleon scattering for beam energies below 1 GeV and in the 1-3 GeV region, where several experiments are performed or are in progress
The scattering of low energy helium ions and atoms from a copper single crystal, ch. 2
International Nuclear Information System (INIS)
Verheij, L.K.; Poelsema, B.; Boers, A.L.
1976-01-01
The scattering of 4-10 keV helium ions from a copper surface cannot be completely described with elastic, single collisions. The general behaviour of the measured energy and width of the surface peak can be explained by differences in inelastic energy losses for scattering from an ideal surface and from surface structures (damage). Multiple scattering effects have a minor influence. Additional information about the inelastic processes is obtained from scattering experiments with a primary atom beam. For large angles of incidence, the energy of the reflected ions is reduced about 20 eV if the primary beam consists of atoms instead of ions. An explanation of this effect and an explanation of the different behaviour of small angles is given. In the investigated energy range, the electronic stopping power might depend on the charge state of the primary particles. The experimental results are rather well explained by the Lindhard, Scharff, Schioett theory
Tanev, Stoyan; Sun, Wenbo; Pond, James; Tuchin, Valery V; Zharov, Vladimir P
2009-09-01
The formulation of the finite-difference time-domain (FDTD) approach is presented in the framework of its potential applications to in-vivo flow cytometry based on light scattering. The consideration is focused on comparison of light scattering by a single biological cell alone in controlled refractive-index matching conditions and by cells labeled by gold nanoparticles. The optical schematics including phase contrast (OPCM) microscopy as a prospective modality for in-vivo flow cytometry is also analyzed. The validation of the FDTD approach for the simulation of flow cytometry may open up a new avenue in the development of advanced cytometric techniques based on scattering effects from nanoscale targets. 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Modelling of strong heterogeneities in aerosol single scattering albedos over a polluted region
Mallet, M.; Pont, V.; Liousse, C.
2005-05-01
To date, most models dedicated to the investigation of aerosol direct or semi-direct radiative forcings have assumed the various aerosol components to be either completely externally mixed or homogeneously internally mixed. Some recent works have shown that a core-shell treatment of particles should be more realistic, leading to significant differences in the radiative impact as compared to only externally or well-internally mixed states. To account for these studies, an optical module, ORISAM-RAD, has been developed for computing aerosol radiative properties under the hypothesis of internally mixed particles with a n-layer spherical concentric structure. Mesoscale simulations using ORISAM-RAD, coupled with the 3D mesoscale model Meso-NH-C, have been performed for one selected day (06/24/2001) during the ESCOMPTE experiment in the Marseilles-Fos/Berre region, which illustrate the ability of this new module to reproduce spatial heterogeneities of measured single scattering albedo (ωo), due to industrial and/or urban pollution plumes.
International Nuclear Information System (INIS)
Gerlach, M.; Krumrey, M.; Cibik, L.; Mueller, P.; Ulm, G.
2009-01-01
Monte Carlo techniques are powerful tools to simulate the interaction of electromagnetic radiation with matter. One of the most widespread simulation program packages is Geant4. Almost all physical interaction processes can be included. However, it is not evident what accuracy can be obtained by a simulation. In this work, results of scattering experiments using monochromatized synchrotron radiation in the X-ray regime are quantitatively compared to the results of simulations using Geant4. Experiments were performed for various scattering foils made of different materials such as copper and gold. For energy-dispersive measurements of the scattered radiation, a cadmium telluride detector was used. The detector was fully characterized and calibrated with calculable undispersed as well as monochromatized synchrotron radiation. The obtained quantum efficiency and the response functions are in very good agreement with the corresponding Geant4 simulations. At the electron storage ring BESSY II the number of incident photons in the scattering experiments was measured with a photodiode that had been calibrated against a cryogenic radiometer, so that a direct comparison of scattering experiments with Monte Carlo simulations using Geant4 was possible. It was shown that Geant4 describes the photoeffect, including fluorescence as well as the Compton and Rayleigh scattering, with high accuracy, resulting in a deviation of typically less than 20%. Even polarization effects are widely covered by Geant4, and for Doppler broadening of Compton-scattered radiation the extension G4LECS can be included, but the fact that both features cannot be combined is a limitation. For most polarization-dependent simulations, good agreement with the experimental results was found, except for some orientations where Rayleigh scattering was overestimated in the simulation.
Gerlach, M.; Krumrey, M.; Cibik, L.; Müller, P.; Ulm, G.
2009-09-01
Monte Carlo techniques are powerful tools to simulate the interaction of electromagnetic radiation with matter. One of the most widespread simulation program packages is Geant4. Almost all physical interaction processes can be included. However, it is not evident what accuracy can be obtained by a simulation. In this work, results of scattering experiments using monochromatized synchrotron radiation in the X-ray regime are quantitatively compared to the results of simulations using Geant4. Experiments were performed for various scattering foils made of different materials such as copper and gold. For energy-dispersive measurements of the scattered radiation, a cadmium telluride detector was used. The detector was fully characterized and calibrated with calculable undispersed as well as monochromatized synchrotron radiation. The obtained quantum efficiency and the response functions are in very good agreement with the corresponding Geant4 simulations. At the electron storage ring BESSY II the number of incident photons in the scattering experiments was measured with a photodiode that had been calibrated against a cryogenic radiometer, so that a direct comparison of scattering experiments with Monte Carlo simulations using Geant4 was possible. It was shown that Geant4 describes the photoeffect, including fluorescence as well as the Compton and Rayleigh scattering, with high accuracy, resulting in a deviation of typically less than 20%. Even polarization effects are widely covered by Geant4, and for Doppler broadening of Compton-scattered radiation the extension G4LECS can be included, but the fact that both features cannot be combined is a limitation. For most polarization-dependent simulations, good agreement with the experimental results was found, except for some orientations where Rayleigh scattering was overestimated in the simulation.
Energy Technology Data Exchange (ETDEWEB)
Gerlach, M. [Physikalisch-Technische Bundesanstalt, Abbestr. 2-12, 10587 Berlin (Germany); Krumrey, M. [Physikalisch-Technische Bundesanstalt, Abbestr. 2-12, 10587 Berlin (Germany)], E-mail: Michael.Krumrey@ptb.de; Cibik, L.; Mueller, P.; Ulm, G. [Physikalisch-Technische Bundesanstalt, Abbestr. 2-12, 10587 Berlin (Germany)
2009-09-11
Monte Carlo techniques are powerful tools to simulate the interaction of electromagnetic radiation with matter. One of the most widespread simulation program packages is Geant4. Almost all physical interaction processes can be included. However, it is not evident what accuracy can be obtained by a simulation. In this work, results of scattering experiments using monochromatized synchrotron radiation in the X-ray regime are quantitatively compared to the results of simulations using Geant4. Experiments were performed for various scattering foils made of different materials such as copper and gold. For energy-dispersive measurements of the scattered radiation, a cadmium telluride detector was used. The detector was fully characterized and calibrated with calculable undispersed as well as monochromatized synchrotron radiation. The obtained quantum efficiency and the response functions are in very good agreement with the corresponding Geant4 simulations. At the electron storage ring BESSY II the number of incident photons in the scattering experiments was measured with a photodiode that had been calibrated against a cryogenic radiometer, so that a direct comparison of scattering experiments with Monte Carlo simulations using Geant4 was possible. It was shown that Geant4 describes the photoeffect, including fluorescence as well as the Compton and Rayleigh scattering, with high accuracy, resulting in a deviation of typically less than 20%. Even polarization effects are widely covered by Geant4, and for Doppler broadening of Compton-scattered radiation the extension G4LECS can be included, but the fact that both features cannot be combined is a limitation. For most polarization-dependent simulations, good agreement with the experimental results was found, except for some orientations where Rayleigh scattering was overestimated in the simulation.
Lattice and Molecular Vibrations in Single Crystal I2 at 77 K by Inelastic Neutron Scattering
DEFF Research Database (Denmark)
Smith, H. G.; Nielsen, Mourits; Clark, C. B.
1975-01-01
Phonon dispersion curves of single crystal iodine at 77 K have been measured by one-phonon coherent inelastic neutron scattering techniques. The data are analysed in terms of two Buckingham-six intermolecular potentials; one to represent the shortest intermolecular interaction (3.5 Å) and the other...
A combined neutron scattering and simulation study on bioprotectant systems
Energy Technology Data Exchange (ETDEWEB)
Affouard, F. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires UMR 8024, Universite Lille I - 59655 Villeneuve d' Ascq cedex (France); Bordat, P. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires UMR 8024, Universite Lille I - 59655 Villeneuve d' Ascq cedex (France); Descamps, M. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires UMR 8024, Universite Lille I - 59655 Villeneuve d' Ascq cedex (France); Lerbret, A. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires UMR 8024, Universite Lille I - 59655 Villeneuve d' Ascq cedex (France); Magazu, S. [Dipartimento di Fisica and INFM, Universita di Messina, P.O. Box 55, I-98166 Messina (Italy); Migliardo, F. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires UMR 8024, Universite Lille I - 59655 Villeneuve d' Ascq cedex (France); Dipartimento di Fisica and INFM, Universita di Messina, P.O. Box 55, I-98166 Messina (Italy)], E-mail: fmigliardo@unime.it; Ramirez-Cuesta, A.J. [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot (United Kingdom); Telling, M.F.T. [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot (United Kingdom)
2005-10-31
The present work shows quasi elastic neutron scattering, neutron spin echo and inelastic neutron scattering results on a class of bioprotectant systems, such as homologous disaccharides (i.e., trehalose and sucrose)/water solutions, as a function of temperature. The whole set of findings indicates a noticeable 'kosmotrope' character of the disaccharides, and in particular of trehalose, which is able to strongly modify both the structural and dynamical properties of water. This superior capability of trehalose can be linked to its higher bioprotective effectiveness in respect with the other disaccharides.
Laser bistatic two-dimensional scattering imaging simulation of lambert cone
Gong, Yanjun; Zhu, Chongyue; Wang, Mingjun; Gong, Lei
2015-11-01
This paper deals with the laser bistatic two-dimensional scattering imaging simulation of lambert cone. Two-dimensional imaging is called as planar imaging. It can reflect the shape of the target and material properties. Two-dimensional imaging has important significance for target recognition. The expression of bistatic laser scattering intensity of lambert cone is obtained based on laser radar eauqtion. The scattering intensity of a micro-element on the target could be obtained. The intensity is related to local angle of incidence, local angle of scattering and the infinitesimal area on the cone. According to the incident direction of laser, scattering direction and normal of infinitesimal area, the local incidence angle and scattering angle can be calculated. Through surface integration and the introduction of the rectangular function, we can get the intensity of imaging unit on the imaging surface, and then get Lambert cone bistatic laser two-dimensional scattering imaging simulation model. We analyze the effect of distinguishability, incident direction, observed direction and target size on the imaging. From the results, we can see that the scattering imaging simulation results of the lambert cone bistatic laser is correct.
International Nuclear Information System (INIS)
Broome, J.
1965-11-01
The programme SCATTER is a KDF9 programme in the Egtran dialect of Fortran to generate normalized angular distributions for elastically scattered neutrons from data input as the coefficients of a Legendre polynomial series, or from differential cross-section data. Also, differential cross-section data may be analysed to produce Legendre polynomial coefficients. Output on cards punched in the format of the U.K. A. E. A. Nuclear Data Library is optional. (author)
Simulated x-ray scattering of protein solutions using explicit-solvent models
International Nuclear Information System (INIS)
Park, Sanghyun; Bardhan, Jaydeep P.; Makowski, Lee; Roux, Benoit
2009-01-01
X-ray solution scattering shows new promise for the study of protein structures, complementing crystallography and nuclear magnetic resonance. In order to realize the full potential of solution scattering, it is necessary to not only improve experimental techniques but also develop accurate and efficient computational schemes to relate atomistic models to measurements. Previous computational methods, based on continuum models of water, have been unable to calculate scattering patterns accurately, especially in the wide-angle regime which contains most of the information on the secondary, tertiary, and quaternary structures. Here we present a novel formulation based on the atomistic description of water, in which scattering patterns are calculated from atomic coordinates of protein and water. Without any empirical adjustments, this method produces scattering patterns of unprecedented accuracy in the length scale between 5 and 100 A, as we demonstrate by comparing simulated and observed scattering patterns for myoglobin and lysozyme.
THEORY AND SIMULATIONS OF REFRACTIVE SUBSTRUCTURE IN RESOLVED SCATTER-BROADENED IMAGES
Energy Technology Data Exchange (ETDEWEB)
Johnson, Michael D. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Gwinn, Carl R., E-mail: mjohnson@cfa.harvard.edu [Department of Physics, University of California, Santa Barbara, CA 93106 (United States)
2015-06-01
At radio wavelengths, scattering in the interstellar medium distorts the appearance of astronomical sources. Averaged over a scattering ensemble, the result is a blurred image of the source. However, Narayan and Goodman and Goodman and Narayan showed that for an incomplete average, scattering introduces refractive substructure in the image of a point source that is both persistent and wideband. We show that this substructure is quenched but not smoothed by an extended source. As a result, when the scatter-broadening is comparable to or exceeds the unscattered source size, the scattering can introduce spurious compact features into images. In addition, we derive efficient strategies to numerically compute realistic scattered images, and we present characteristic examples from simulations. Our results show that refractive substructure is an important consideration for ongoing missions at the highest angular resolutions, and we discuss specific implications for RadioAstron and the Event Horizon Telescope.
Simulating elastic light scattering using high performance computing methods
Hoekstra, A.G.; Sloot, P.M.A.; Verbraeck, A.; Kerckhoffs, E.J.H.
1993-01-01
The Coupled Dipole method, as originally formulated byPurcell and Pennypacker, is a very powerful method tosimulate the Elastic Light Scattering from arbitraryparticles. This method, which is a particle simulationmodel for Computational Electromagnetics, has one majordrawback: if the size of the
Scattering of atomic and molecular ions from single crystal surfaces of Cu, Ag and Fe
International Nuclear Information System (INIS)
Zoest, J.M. van.
1986-01-01
This thesis deals with analysis of crystal surfaces of Cu, Ag and Fe with Low Energy Ion scattering Spectroscopy (LEIS). Different atomic and molecular ions with fixed energies below 7 keV are scattered by a metal single crystal (with adsorbates). The energy and direction of the scattered particles are analysed for different selected charge states. In that way information can be obtained concerning the composition and atomic and electronic structure of the single crystal surface. Energy spectra contain information on the composition of the surface, while structural atomic information is obtained by direction measurements (photograms). In Ch.1 a description is given of the experimental equipment, in Ch.2 a characterization of the LEIS method. Ch.3 deals with the neutralization of keV-ions in surface scattering. Two different ways of data interpretation are presented. First a model is treated in which the observed directional dependence of neutralization action of the first atom layer of the surface is presented by a laterally varying thickness of the neutralizing layer. Secondly it is shown that the data can be reproduced by a more realistic, physical model based on atomic transition matrix elements. In Ch.4 the low energy hydrogen scattering is described. The study of the dissociation of H 2 + at an Ag surface r0230ted in a model based on electronic dissociation, initialized by electron capture into a repulsive (molecular) state. In Ch.5 finally the method is applied to the investigation of the surface structure of oxidized Fe. (Auth.)
Quantitative and Isolated Measurement of Far-Field Light Scattering by a Single Nanostructure
Kim, Donghyeong; Jeong, Kwang-Yong; Kim, Jinhyung; Ee, Ho-Seok; Kang, Ju-Hyung; Park, Hong-Gyu; Seo, Min-Kyo
2017-11-01
Light scattering by nanostructures has facilitated research on various optical phenomena and applications by interfacing the near fields and free-propagating radiation. However, direct quantitative measurement of far-field scattering by a single nanostructure on the wavelength scale or less is highly challenging. Conventional back-focal-plane imaging covers only a limited solid angle determined by the numerical aperture of the objectives and suffers from optical aberration and distortion. Here, we present a quantitative measurement of the differential far-field scattering cross section of a single nanostructure over the full hemisphere. In goniometer-based far-field scanning with a high signal-to-noise ratio of approximately 27.4 dB, weak scattering signals are efficiently isolated and detected under total-internal-reflection illumination. Systematic measurements reveal that the total and differential scattering cross sections of a Au nanorod are determined by the plasmonic Fabry-Perot resonances and the phase-matching conditions to the free-propagating radiation, respectively. We believe that our angle-resolved far-field measurement scheme provides a way to investigate and evaluate the physical properties and performance of nano-optical materials and phenomena.
International Nuclear Information System (INIS)
Goupil-Lamy, Anne
1997-01-01
This research thesis reports simulations and experiments of inelastic scattering on the whole frequency spectrum to analyse the vibrations of the staphylococcus nuclease and its fragment, in order to study protein folding. Based on these experiments, information on eigenvectors which describe vibration modes can be directly obtained. Inelastic intensities are indeed fully determined by nuclear cross sections and the mean square displacement of each atom. Some experimentally noticed peaks are then explained by calculating a theoretical spectrum from an analysis of normal modes. The studied fragment is made of 136 c-terminal residues. The fragment structure obtained by molecular dynamics simulation is compared with available experimental data. Then, experiments of neutron scattering on the nuclease of staphylococcus and its fragment have been performed. Quasi elastic scattering spectra have been measured. The author then used simulations to try to reproduce the quasi-elastic spectrum. Experiments of inelastic scattering have then been performed [fr
Valdé s, Felipe; Andriulli, Francesco P.; Bagci, Hakan; Michielssen, Eric
2011-01-01
A new regularized single source equation for analyzing scattering from homogeneous penetrable objects is presented. The proposed equation is a linear combination of a Calderón-preconditioned single source electric field integral equation and a
Frontiers of surface-enhanced Raman scattering single nanoparticles and single cells
Ozaki, Yukihiro; Aroca, Ricardo
2014-01-01
A comprehensive presentation of Surface-Enhanced Raman Scattering (SERS) theory, substrate fabrication, applications of SERS to biosystems, chemical analysis, sensing and fundamental innovation through experimentation. Written by internationally recognized editors and contributors. Relevant to all those within the scientific community dealing with Raman Spectroscopy, i.e. physicists, chemists, biologists, material scientists, physicians and biomedical scientists. SERS applications are widely expanding and the technology is now used in the field of nanotechnologies, applications to biosystems, nonosensors, nanoimaging and nanoscience.
Shintake, Tsumoru
2008-10-01
The number of photons produced by coherent x-ray scattering from a single biomolecule is very small because of its extremely small elastic-scattering cross section and low damage threshold. Even with a high x-ray flux of 3 x 10;{12} photons per 100-nm -diameter spot and an ultrashort pulse of 10 fs driven by a future x-ray free electron laser (x-ray FEL), it has been predicted that only a few 100 photons will be produced from the scattering of a single lysozyme molecule. In observations of scattered x rays on a detector, the transfer of energy from wave to matter is accompanied by the quantization of the photon energy. Unfortunately, x rays have a high photon energy of 12 keV at wavelengths of 1A , which is required for atomic resolution imaging. Therefore, the number of photoionization events is small, which limits the resolution of imaging of a single biomolecule. In this paper, I propose a method: instead of directly observing the photons scattered from the sample, we amplify the scattered waves by superimposing an intense coherent reference pump wave on it and record the resulting interference pattern on a planar x-ray detector. Using a nanosized gold particle as a reference pump wave source, we can collect 10;{4}-10;{5} photons in single shot imaging where the signal from a single biomolecule is amplified and recorded as two-dimensional diffraction intensity data. An iterative phase retrieval technique can be used to recover the phase information and reconstruct the image of the single biomolecule and the gold particle at the same time. In order to precisely reconstruct a faint image of the single biomolecule in Angstrom resolution, whose intensity is much lower than that of the bright gold particle, I propose a technique that combines iterative phase retrieval on the reference pump wave and the digital Fourier transform holography on the sample. By using a large number of holography data, the three-dimensional electron density map can be assembled.
Imaging through scattering media by Fourier filtering and single-pixel detection
Jauregui-Sánchez, Y.; Clemente, P.; Lancis, J.; Tajahuerce, E.
2018-02-01
We present a novel imaging system that combines the principles of Fourier spatial filtering and single-pixel imaging in order to recover images of an object hidden behind a turbid medium by transillumination. We compare the performance of our single-pixel imaging setup with that of a conventional system. We conclude that the introduction of Fourier gating improves the contrast of images in both cases. Furthermore, we show that the combination of single-pixel imaging and Fourier spatial filtering techniques is particularly well adapted to provide images of objects transmitted through scattering media.
SYNRAD3D photon propagation and scattering simulations
International Nuclear Information System (INIS)
Dugan, G; Sagan, D
2013-01-01
The Bmad software library has been used very successfully at Cornell for modeling relativistic charged particles in storage rings and linacs. Associated with this library are a number of programs used for lattice design and analysis. Recently, as part of the CESRTA program, a new program that uses the Bmad library, called Synrad3D, has been developed to track synchrotron radiation photons generated in storage rings and linacs. The motivation for developing Synrad3D was to estimate the energy and position distribution of photon absorption sites, which are critical inputs to codes which model the growth of electron clouds. Synrad3D includes scattering from the vacuum chamber walls, based on X-ray data from an LBNL database for the smooth-surface reflectivity, and an analytical model for diffuse scattering from a surface with finite roughness. Synrad3D can handle any planar lattice and a wide variety of vacuum chamber profiles. In the following sections, the general approach used in Synrad3D will be described. The models used for the vacuum chamber, for specular reflection, and for diffuse reflection, will be described. Examples of the application to the program to predict the radiation environment in the CESRTA ring will be presented. Comparison of the scattering model with X-ray data from DAΦNE will be given. Finally, an application of the program to predict the radiation environment in the ILC damping ring will be shown
Polarized Raman scattering study of PSN single crystals and epitaxial thin films
Directory of Open Access Journals (Sweden)
J. Pokorný
2015-06-01
Full Text Available This paper describes a detailed analysis of the dependence of Raman scattering intensity on the polarization of the incident and inelastically scattered light in PbSc0.5Nb0.5O3 (PSN single crystals and epitaxially compressed thin films grown on (100-oriented MgO substrates. It is found that there are significant differences between the properties of the crystals and films, and that these differences can be attributed to the anticipated structural differences between these two forms of the same material. In particular, the scattering characteristics of the oxygen octahedra breathing mode near 810 cm-1 indicate a ferroelectric state for the crystals and a relaxor state for the films, which is consistent with the dielectric behaviors of these materials.
International Nuclear Information System (INIS)
Gladkikh, P.I.; Telegin, Yu.N.; Karnaukhov, I.M.
2002-01-01
The feasibility of the development of intense X-ray sources based on Compton scattering in laser-electron storage rings is discussed. The results of the electron beam dynamics simulation involving Compton and intrabeam scattering are presented
Gladkikh, P I; Karnaukhov, I M
2002-01-01
The feasibility of the development of intense X-ray sources based on Compton scattering in laser-electron storage rings is discussed. The results of the electron beam dynamics simulation involving Compton and intrabeam scattering are presented.
Zhou, L.; Gong, Z. R.; Liu, Y. X.; Sun, C. P.; Nori, F.
2010-03-01
We analyze the coherent transport of a single photon, which propagates in a one-dimensional coupled-resonator waveguide and is scattered by a controllable two-level system located inside one of the resonators of this waveguide. Our approach, which uses discrete coordinates, unifies low and high energy effective theories for single-photon scattering. We show that the controllable two-level system can behave as a quantum switch for the coherent transport of a single photon. This study may inspire new electro-optical single-photon quantum devices. We also suggest an experimental setup based on superconducting transmission line resonators and qubits. References: L. Zhou, Z.R. Gong, Y.X. Liu, C.P. Sun, F. Nori, Controllable scattering of photons inside a one-dimensional resonator waveguide, Phys. Rev. Lett. 101, 100501 (2008). L. Zhou, H. Dong, Y.X. Liu, C.P. Sun, F. Nori, Quantum super-cavity with atomic mirrors, Phys. Rev. A 78, 063827 (2008).
Energy Technology Data Exchange (ETDEWEB)
Ramos, Elsa P. R. G.; Da Silva, Antonio J. C. [Centro de Astrofisica, Universidade do Porto, Rua das Estrelas, 4150-762 Porto (Portugal); Liu, Guo-Chin, E-mail: eramos@astro.up.pt [Department of Physics, Tamkang University, Tamsui District, New Taipei City 251, Taiwan (China)
2012-09-20
We present light-cone-integrated simulations of the cosmic microwave background (CMB) polarization signal induced by a single scattering in the direction of clusters of galaxies and filaments. We characterize the statistical properties of the induced polarization signals from the presence of the CMB quadrupole component (pqiCMB) and as the result of the transverse motion of ionized gas clouds with respect to the CMB rest frame (p{beta}{sup 2}{sub t}SZ). From adiabatic N-body/hydrodynamic simulations, we generated 28 random sky patches integrated along the light cone, each with about 0.86 deg{sup 2} and angular resolution of 6''. Our simulation method involves a box-stacking scheme that allows to reconstruct the CMB quadrupole component and the gas physical properties along the line of sight. We find that the linear polarization degree in the logarithmic scale of both effects follows approximately a Gaussian distribution and the mean total signal is about 10{sup -8} and 10{sup -10} for the pqiCMB and p{beta}{sup 2}{sub t}SZ effects, respectively. The polarization angle is consistent with a flat distribution in both cases. From the mean distributions of the polarization degree with redshift, the highest peak is found at z {approx_equal} 1 for the induced CMB quadrupole and at z {approx_equal} 0.5 for the kinematic component. Our results suggest that most of the contribution for the total polarization signal arises from z {approx}< 4 for the pqiCMB and z {approx}< 3 for p{beta}{sup 2}{sub t}SZ. The spectral dependency of both integrated signals is strong, increasing with the frequency, especially in the case of the p{beta}{sup 2}{sub t}SZ signal, which increases by a factor of 100 from 30 GHz to 675 GHz. The maxima values found at the highest frequency are about 3 {mu}K and 13 {mu}K for the pqiCMB and p{beta}{sup 2}{sub t}SZ, respectively. The angular power spectra of these effects peak at large multipoles l > 10{sup 4}, being of the order of 10{sup -5} {mu
Sizing of single evaporating droplet with Near-Forward Elastic Scattering Spectroscopy
Woźniak, M.; Jakubczyk, D.; Derkachov, G.; Archer, J.
2017-11-01
We have developed an optical setup and related numerical models to study evolution of single evaporating micro-droplets by analysis of their spectral properties. Our approach combines the advantages of the electrodynamic trapping with the broadband spectral analysis with the supercontinuum laser illumination. The elastically scattered light within the spectral range of 500-900 nm is observed by a spectrometer placed at the near-forward scattering angles between 4.3 ° and 16.2 ° and compared with the numerically generated lookup table of the broadband Mie scattering. Our solution has been successfully applied to infer the size evolution of the evaporating droplets of pure liquids (diethylene and ethylene glycol) and suspensions of nanoparticles (silica and gold nanoparticles in diethylene glycol), with maximal accuracy of ± 25 nm. The obtained results have been compared with the previously developed sizing techniques: (i) based on the analysis of the Mie scattering images - the Mie Scattering Lookup Table Method and (ii) the droplet weighting. Our approach provides possibility to handle levitating objects with much larger size range (radius from 0.5 μm to 30 μm) than with the use of optical tweezers (typically radius below 8 μm) and analyse them with much wider spectral range than with commonly used LED sources.
Microwave single-scattering properties of randomly oriented soft-ice hydrometeors
Directory of Open Access Journals (Sweden)
D. Casella
2008-11-01
Full Text Available Large ice hydrometeors are usually present in intense convective clouds and may significantly affect the upwelling radiances that are measured by satellite-borne microwave radiometers – especially, at millimeter-wavelength frequencies. Thus, interpretation of these measurements (e.g., for precipitation retrieval requires knowledge of the single scattering properties of ice particles. On the other hand, shape and internal structure of these particles (especially, the larger ones is very complex and variable, and therefore it is necessary to resort to simplifying assumptions in order to compute their single-scattering parameters.
In this study, we use the discrete dipole approximation (DDA to compute the absorption and scattering efficiencies and the asymmetry factor of two kinds of quasi-spherical and non-homogeneous soft-ice particles in the frequency range 50–183 GHz. Particles of the first kind are modeled as quasi-spherical ice particles having randomly distributed spherical air inclusions. Particles of the second kind are modeled as random aggregates of ice spheres having random radii. In both cases, particle densities and dimensions are coherent with the snow hydrometeor category that is utilized by the University of Wisconsin – Non-hydrostatic Modeling System (UW-NMS cloud-mesoscale model. Then, we compare our single-scattering results for randomly-oriented soft-ice hydrometeors with corresponding ones that make use of: a effective-medium equivalent spheres, b solid-ice equivalent spheres, and c randomly-oriented aggregates of ice cylinders. Finally, we extend to our particles the scattering formulas that have been developed by other authors for randomly-oriented aggregates of ice cylinders.
Monte Carlo simulation of virtual compton scattering at MAMI
International Nuclear Information System (INIS)
D'Hose, N.; Ducret, J.E.; Gousset, TH.; Guichon, P.A.M.; Kerhoas, S.; Lhuillier, D.; Marchand, C.; Marchand, D.; Martino, J.; Mougey, J.; Roche, J.; Vanderhaeghen, M.; Vernin, P.; Bohm, H.; Distler, M.; Edelhoff, R.; Friedrich, J.M.; Geiges, R.; Jennewein, P.; Kahrau, M.; Korn, M.; Kramer, H.; Krygier, K.W.; Kunde, V.; Liesenfeld, A.; Merkel, H.; Merle, K.; Neuhausen, R.; Pospischil, TH.; Rosner, G.; Sauer, P.; Schmieden, H.; Schardt, S.; Tamas, G.; Wagner, A.; Walcher, TH.; Wolf, S.; Hyde-Wright, CH.; Boeglin, W.U.; Van de Wiele, J.
1996-01-01
The Monte Carlo simulation developed specially for the VCS experiments taking place at MAMI in fully described. This simulation can generate events according to the Bethe-Heitler + Born cross section behaviour and takes into account resolution deteriorating effects. It is used to determine solid angles for the various experimental settings. (authors)
Wibking, Benjamin D.; Thompson, Todd A.; Krumholz, Mark R.
2018-04-01
The radiation force on dust grains may be dynamically important in driving turbulence and outflows in rapidly star-forming galaxies. Recent studies focus on the highly optically-thick limit relevant to the densest ultra-luminous galaxies and super star clusters, where reprocessed infrared photons provide the dominant source of electromagnetic momentum. However, even among starburst galaxies, the great majority instead lie in the so-called "single-scattering" limit, where the system is optically-thick to the incident starlight, but optically-thin to the re-radiated infrared. In this paper we present a stability analysis and multidimensional radiation-hydrodynamic simulations exploring the stability and dynamics of isothermal dusty gas columns in this regime. We describe our algorithm for full angle-dependent radiation transport based on the discontinuous Galerkin finite element method. For a range of near-Eddington fluxes, we show that the medium is unstable, producing convective-like motions in a turbulent atmosphere with a scale height significantly inflated compared to the gas pressure scale height and mass-weighted turbulent energy densities of ˜0.01 - 0.1 of the midplane radiation energy density, corresponding to mass-weighted velocity dispersions of Mach number ˜0.5 - 2. Extrapolation of our results to optical depths of 103 implies maximum turbulent Mach numbers of ˜20. Comparing our results to galaxy-averaged observations, and subject to the approximations of our calculations, we find that radiation pressure does not contribute significantly to the effective supersonic pressure support in star-forming disks, which in general are substantially sub-Eddington. We further examine the time-averaged vertical density profiles in dynamical equilibrium and comment on implications for radiation-pressure-driven galactic winds.
Effect of diffraction on stimulated Brillouin scattering from a single laser hot spot
International Nuclear Information System (INIS)
Eliseev, V.V.; Rozmus, W.; Tikhonchuk, V.T.; Capjack, C.E.
1996-01-01
A single laser hot spot in an underdense plasma is represented as a focused Gaussian laser beam. Stimulated Brillouin scattering (SBS) from such a Gaussian beam with small f/numbers 2-4 has been studied in a three-dimensional slab geometry. It is shown that the SBS reflectivity from a single laser hot spot is much lower than that predicted by a simple three wave coupling model because of the diffraction of the scattered light from the spatially localized ion acoustic wave. SBS gain per one Rayleigh length of the incident laser beam is proposed as a quantitative measure of this effect. Diffraction-limited SBS from a randomized laser beam is also discussed. copyright 1996 American Institute of Physics
First experimental observation of double-photon Compton scattering using single gamma detector
International Nuclear Information System (INIS)
Sandhu, B.S.; Saddi, M.B.; Singh, B.; Ghumman, B.S.
2003-01-01
Full text: The phenomenon of double-photon Compton scattering has been successfully observed using single gamma detector, a technique avoiding the use of complicated slow-fast coincidence set-up used till now for observing this higher order process. Here doubly differentiated collision cross-section integrated over direction of one of the two final photons, the direction of other one being kept fixed, has been measured experimentally for 0.662 MeV incident gamma photons. The energy spectra of the detected photons are observed as a long tail to the single-photon Compton line on the lower side of the full energy peak in the recorded scattered energy spectrum. The present results are in agreement with theory of this process
Thermal diffuse scattering in time-of-flight neutron diffraction studied on SBN single crystals
International Nuclear Information System (INIS)
Prokert, F.; Savenko, B.N.; Balagurov, A.M.
1994-01-01
At time-of-flight (TOF) diffractometer D N-2, installed at the pulsed reactor IBR-2 in Dubna, Sr x Ba 1-x Nb 2 O 6 mixed single crystals (SBN-x) of different compositions (0.50 < x< 0.75) were investigated between 15 and 773 K. The diffraction patterns were found to be strongly influenced by the thermal diffuse scattering (TDS). The appearance of the TDS from the long wavelength acoustic models of vibration in single crystals is characterized by the ratio of the velocity of sound to the velocity of neutron. Due to the nature of the TOF Laue diffraction technique used on D N-2, the TDS around Bragg peaks has rather a complex profile. An understanding of the TDS close to Bragg peaks is essential in allowing the extraction of the diffuse scattering occurring at the diffuse ferroelectric phase transition in SBN crystals. 11 refs.; 9 figs.; 1 tab. (author)
Simulating measures of wood density through the surface by Compton scattering
International Nuclear Information System (INIS)
Penna, Rodrigo; Oliveira, Arno H.; Braga, Mario R.M.S.S.; Vasconcelos, Danilo C.; Carneiro, Clemente J.G.; Penna, Ariane G.C.
2009-01-01
Monte Carlo code (MCNP-4C) was used to simulate a nuclear densimeter for measuring wood densities nondestructively. An Americium source (E = 60 keV) and a NaI (Tl) detector were placed on a wood block surface. Results from MCNP shown that scattered photon fluxes may be used to determining wood densities. Linear regressions between scattered photons fluxes and wood density were calculated and shown correlation coefficients near unity. (author)
International Nuclear Information System (INIS)
Buckman, S.J.; Brunger, M.J.
1996-07-01
Electron scattering cross sections (elastic, rotational and vibrational excitation) for a number of atomic and (relatively) single molecular systems are examined. Particular reference is made to the level of agreement which is obtained from the application of the completely different measurement philosophies embodied in 'beam' and 'swarm' techniques. The range of energies considered is generally restricted to the region below 5 eV. 142 refs., 1 tab., 12 figs
Energy Technology Data Exchange (ETDEWEB)
Yang, J.; Kuikka, J.T.; Vanninen, E.; Laensimies, E. [Kuopio Univ. Hospital (Finland). Dept. of Clinical Physiology and Nuclear Medicine; Kauppinen, T.; Patomaeki, L. [Kuopio Univ. (Finland). Dept. of Applied Physics
1999-05-01
Photon scatter is one of the most important factors degrading the quantitative accuracy of SPECT images. Many scatter correction methods have been proposed. The single isotope method was proposed by us. Aim: We evaluate the scatter correction method of improving the quality of images by acquiring emission and transmission data simultaneously with single isotope scan. Method: To evaluate the proposed scatter correction method, a contrast and linearity phantom was studied. Four female patients with fibromyalgia (FM) syndrome and four with chronic back pain (BP) were imaged. Grey-to-cerebellum (G/C) and grey-to-white matter (G/W) ratios were determined by one skilled operator for 12 regions of interest (ROIs) in each subject. Results: The linearity of activity response was improved after the scatter correction (r=0.999). The y-intercept value of the regression line was 0.036 (p<0.0001) after scatter correction and the slope was 0.954. Pairwise correlation indicated the agreement between nonscatter corrected and scatter corrected images. Reconstructed slices before and after scatter correction demonstrate a good correlation in the quantitative accuracy of radionuclide concentration. G/C values have significant correlation coefficients between original and corrected data. Conclusion: The transaxial images of human brain studies show that the scatter correction using single isotope in simultaneous transmission and emission tomography provides a good scatter compensation. The contrasts were increased on all 12 ROIs. The scatter compensation enhanced details of physiological lesions. (orig.) [Deutsch] Die Photonenstreuung gehoert zu den wichtigsten Faktoren, die die quantitative Genauigkeit von SPECT-Bildern vermindern. Es wurde eine ganze Reihe von Methoden zur Streuungskorrektur vorgeschlagen. Von uns wurde die Einzelisotopen-Methode empfohlen. Ziel: Wir untersuchten die Streuungskorrektur-Methode zur Verbesserung der Bildqualitaet durch simultane Gewinnung von Emissions
International Nuclear Information System (INIS)
Deloar, Hossain M; Watabe, Hiroshi; Aoi, Toshiyuki; Iida, Hidehiro
2003-01-01
In quantitative pinhole SPECT, photon penetration through the collimator edges (penetration), and photon scattering by the object (object scatter) and collimator (collimator scatter) have not been investigated rigorously. Monte Carlo simulation was used to evaluate these three physical processes for different tungsten knife-edge pinhole collimators using uniform, hotspot and donut phantoms filled with 201 Tl, 99m Tc, 123 I and 131 I solutions. For the hotspot phantom, the penetration levels with respect to total counts for a 1 mm pinhole aperture were 78%, 28% and 23% for 131 I, 123 I and 99m Tc, respectively. For a 2 mm aperture, these values were 65% for 131 I, 16% for 123 I and 12% for 99m Tc. For all pinholes, 201 Tl penetration was less than 4%. The evaluated scatter (from object and collimator) with a hotspot phantom for the 1 mm pinhole was 24%, 16%, 18% and 13% for 201 Tl, 99m Tc, 123 I and 131 I, respectively. Summation of the object and collimator scatter for the uniform phantom was approximately 20% higher than that for the hotspot phantom. Significant counts due to penetration and object and collimator scatter in the reconstructed image were observed inside the core of the donut phantom. The collimator scatter can be neglected for all isotopes used in this study except for 131 I. Object scatter correction for all radionuclides used in this study is necessary and correction for the penetration contribution is necessary for all radionuclides but 201 Tl
TH-CD-207A-08: Simulated Real-Time Image Guidance for Lung SBRT Patients Using Scatter Imaging
Energy Technology Data Exchange (ETDEWEB)
Redler, G; Cifter, G; Templeton, A; Lee, C; Bernard, D; Liao, Y; Zhen, H; Turian, J; Chu, J [Rush University Medical Center, Chicago, IL (United States)
2016-06-15
Purpose: To develop a comprehensive Monte Carlo-based model for the acquisition of scatter images of patient anatomy in real-time, during lung SBRT treatment. Methods: During SBRT treatment, images of patient anatomy can be acquired from scattered radiation. To rigorously examine the utility of scatter images for image guidance, a model is developed using MCNP code to simulate scatter images of phantoms and lung cancer patients. The model is validated by comparing experimental and simulated images of phantoms of different complexity. The differentiation between tissue types is investigated by imaging objects of known compositions (water, lung, and bone equivalent). A lung tumor phantom, simulating materials and geometry encountered during lung SBRT treatments, is used to investigate image noise properties for various quantities of delivered radiation (monitor units(MU)). Patient scatter images are simulated using the validated simulation model. 4DCT patient data is converted to an MCNP input geometry accounting for different tissue composition and densities. Lung tumor phantom images acquired with decreasing imaging time (decreasing MU) are used to model the expected noise amplitude in patient scatter images, producing realistic simulated patient scatter images with varying temporal resolution. Results: Image intensity in simulated and experimental scatter images of tissue equivalent objects (water, lung, bone) match within the uncertainty (∼3%). Lung tumor phantom images agree as well. Specifically, tumor-to-lung contrast matches within the uncertainty. The addition of random noise approximating quantum noise in experimental images to simulated patient images shows that scatter images of lung tumors can provide images in as fast as 0.5 seconds with CNR∼2.7. Conclusions: A scatter imaging simulation model is developed and validated using experimental phantom scatter images. Following validation, lung cancer patient scatter images are simulated. These simulated
TH-CD-207A-08: Simulated Real-Time Image Guidance for Lung SBRT Patients Using Scatter Imaging
International Nuclear Information System (INIS)
Redler, G; Cifter, G; Templeton, A; Lee, C; Bernard, D; Liao, Y; Zhen, H; Turian, J; Chu, J
2016-01-01
Purpose: To develop a comprehensive Monte Carlo-based model for the acquisition of scatter images of patient anatomy in real-time, during lung SBRT treatment. Methods: During SBRT treatment, images of patient anatomy can be acquired from scattered radiation. To rigorously examine the utility of scatter images for image guidance, a model is developed using MCNP code to simulate scatter images of phantoms and lung cancer patients. The model is validated by comparing experimental and simulated images of phantoms of different complexity. The differentiation between tissue types is investigated by imaging objects of known compositions (water, lung, and bone equivalent). A lung tumor phantom, simulating materials and geometry encountered during lung SBRT treatments, is used to investigate image noise properties for various quantities of delivered radiation (monitor units(MU)). Patient scatter images are simulated using the validated simulation model. 4DCT patient data is converted to an MCNP input geometry accounting for different tissue composition and densities. Lung tumor phantom images acquired with decreasing imaging time (decreasing MU) are used to model the expected noise amplitude in patient scatter images, producing realistic simulated patient scatter images with varying temporal resolution. Results: Image intensity in simulated and experimental scatter images of tissue equivalent objects (water, lung, bone) match within the uncertainty (∼3%). Lung tumor phantom images agree as well. Specifically, tumor-to-lung contrast matches within the uncertainty. The addition of random noise approximating quantum noise in experimental images to simulated patient images shows that scatter images of lung tumors can provide images in as fast as 0.5 seconds with CNR∼2.7. Conclusions: A scatter imaging simulation model is developed and validated using experimental phantom scatter images. Following validation, lung cancer patient scatter images are simulated. These simulated
Investigation of Compton scattering correction methods in cardiac SPECT by Monte Carlo simulations
International Nuclear Information System (INIS)
Silva, A.M. Marques da; Furlan, A.M.; Robilotta, C.C.
2001-01-01
The goal of this work was the use of Monte Carlo simulations to investigate the effects of two scattering correction methods: dual energy window (DEW) and dual photopeak window (DPW), in quantitative cardiac SPECT reconstruction. MCAT torso-cardiac phantom, with 99m Tc and non-uniform attenuation map was simulated. Two different photopeak windows were evaluated in DEW method: 15% and 20%. Two 10% wide subwindows centered symmetrically within the photopeak were used in DPW method. Iterative ML-EM reconstruction with modified projector-backprojector for attenuation correction was applied. Results indicated that the choice of the scattering and photopeak windows determines the correction accuracy. For the 15% window, fitted scatter fraction gives better results than k = 0.5. For the 20% window, DPW is the best method, but it requires parameters estimation using Monte Carlo simulations. (author)
Prinz, J.; Heck, C.; Ellerik, L.; Merk, V.
2016-01-01
DNA origami nanostructures are a versatile tool to arrange metal nanostructures and other chemical entities with nanometer precision. In this way gold nanoparticle dimers with defined distance can be constructed, which can be exploited as novel substrates for surface enhanced Raman scattering (SERS). We have optimized the size, composition and arrangement of Au/Ag nanoparticles to create intense SERS hot spots, with Raman enhancement up to 1010, which is sufficient to detect single molecules by Raman scattering. This is demonstrated using single dye molecules (TAMRA and Cy3) placed into the center of the nanoparticle dimers. In conjunction with the DNA origami nanostructures novel SERS substrates are created, which can in the future be applied to the SERS analysis of more complex biomolecular targets, whose position and conformation within the SERS hot spot can be precisely controlled. PMID:26892770
Nishimura, Tomoaki
2016-03-01
A computer simulation program for ion scattering and its graphical user interface (MEISwin) has been developed. Using this program, researchers have analyzed medium-energy ion scattering and Rutherford backscattering spectrometry at Ritsumeikan University since 1998, and at Rutgers University since 2007. The main features of the program are as follows: (1) stopping power can be chosen from five datasets spanning several decades (from 1977 to 2011), (2) straggling can be chosen from two datasets, (3) spectral shape can be selected as Gaussian or exponentially modified Gaussian, (4) scattering cross sections can be selected as Coulomb or screened, (5) simulations adopt the resonant elastic scattering cross section of 16O(4He, 4He)16O, (6) pileup simulation for RBS spectra is supported, (7) natural and specific isotope abundances are supported, and (8) the charge fraction can be chosen from three patterns (fixed, energy-dependent, and ion fraction with charge-exchange parameters for medium-energy ion scattering). This study demonstrates and discusses the simulations and their results.
Energy Technology Data Exchange (ETDEWEB)
Nishimura, Tomoaki, E-mail: t-nishi@hosei.ac.jp
2016-03-15
A computer simulation program for ion scattering and its graphical user interface (MEISwin) has been developed. Using this program, researchers have analyzed medium-energy ion scattering and Rutherford backscattering spectrometry at Ritsumeikan University since 1998, and at Rutgers University since 2007. The main features of the program are as follows: (1) stopping power can be chosen from five datasets spanning several decades (from 1977 to 2011), (2) straggling can be chosen from two datasets, (3) spectral shape can be selected as Gaussian or exponentially modified Gaussian, (4) scattering cross sections can be selected as Coulomb or screened, (5) simulations adopt the resonant elastic scattering cross section of {sup 16}O({sup 4}He, {sup 4}He){sup 16}O, (6) pileup simulation for RBS spectra is supported, (7) natural and specific isotope abundances are supported, and (8) the charge fraction can be chosen from three patterns (fixed, energy-dependent, and ion fraction with charge-exchange parameters for medium-energy ion scattering). This study demonstrates and discusses the simulations and their results.
International Nuclear Information System (INIS)
Um, Junshik; McFarquhar, Greg M.
2013-01-01
The optimal orientation averaging scheme (regular lattice grid scheme or quasi Monte Carlo (QMC) method), the minimum number of orientations, and the corresponding computing time required to calculate the average single-scattering properties (i.e., asymmetry parameter (g), single-scattering albedo (ω o ), extinction efficiency (Q ext ), scattering efficiency (Q sca ), absorption efficiency (Q abs ), and scattering phase function at scattering angles of 90° (P 11 (90°)), and 180° (P 11 (180°))) within a predefined accuracy level (i.e., 1.0%) were determined for four different nonspherical atmospheric ice crystal models (Gaussian random sphere, droxtal, budding Bucky ball, and column) with maximum dimension D=10μm using the Amsterdam discrete dipole approximation at λ=0.55, 3.78, and 11.0μm. The QMC required fewer orientations and less computing time than the lattice grid. The calculations of P 11 (90°) and P 11 (180°) required more orientations than the calculations of integrated scattering properties (i.e., g, ω o , Q ext , Q sca , and Q abs ) regardless of the orientation average scheme. The fewest orientations were required for calculating g and ω o . The minimum number of orientations and the corresponding computing time for single-scattering calculations decreased with an increase of wavelength, whereas they increased with the surface-area ratio that defines particle nonsphericity. -- Highlights: •The number of orientations required to calculate the average single-scattering properties of nonspherical ice crystals is investigated. •Single-scattering properties of ice crystals are calculated using ADDA. •Quasi Monte Carlo method is more efficient than lattice grid method for scattering calculations. •Single-scattering properties of ice crystals depend on a newly defined parameter called surface area ratio
International Nuclear Information System (INIS)
Kamphuis, C.; Beekman, F.J.; Van Rijk, P.P.; Viergever, M.A.
1998-01-01
Three-dimensional (3D) iterative maximum likelihood expectation maximization (ML-EM) algorithms for single-photon emission tomography (SPET) are capable of correcting image-degrading effects of non-uniform attenuation, distance-dependent camera response and patient shape-dependent scatter. However, the resulting improvements in quantitation, resolution and signal-to-noise ratio (SNR) are obtained at the cost of a huge computational burden. This paper presents a new acceleration method for ML-EM: dual matrix ordered subsets (DM-OS). DM-OS combines two acceleration methods: (a) different matrices for projection and back-projection and (b) ordered subsets of projections. DM-OS was compared with ML-EM on simulated data and on physical thorax phantom data, for both 180 and 360 orbits. Contrast, normalized standard deviation and mean squared error were calculated for the digital phantom experiment. DM-OS resulted in similar image quality to ML-EM, even for speed-up factors of 200 compared to ML-EM in the case of 120 projections. The thorax phantom data could be reconstructed 50 times faster (60 projections) using DM-OS with preservation of image quality. ML-EM and DM-OS with scatter compensation showed significant improvement of SNR compared to ML-EM without scatter compensation. Furthermore, inclusion of complex image formation models in the computer code is simplified in the case of DM-OS. It is thus shown that DM-OS is a fast and relatively simple algorithm for 3D iterative scatter compensation, with similar results to conventional ML-EM, for both 180 and 360 acquired data. (orig.)
Jo, Byung-Du; Lee, Young-Jin; Kim, Dae-Hong; Kim, Hee-Joung
2014-08-01
In conventional digital radiography (DR) using a dual energy subtraction technique, a significant fraction of the detected photons are scattered within the body, making up the scatter component. Scattered radiation can significantly deteriorate image quality in diagnostic X-ray imaging systems. Various methods of scatter correction, including both measurement- and non-measurement-based methods, have been proposed in the past. Both methods can reduce scatter artifacts in images. However, non-measurement-based methods require a homogeneous object and have insufficient scatter component correction. Therefore, we employed a measurement-based method to correct for the scatter component of inhomogeneous objects from dual energy DR (DEDR) images. We performed a simulation study using a Monte Carlo simulation with a primary modulator, which is a measurement-based method for the DEDR system. The primary modulator, which has a checkerboard pattern, was used to modulate the primary radiation. Cylindrical phantoms of variable size were used to quantify the imaging performance. For scatter estimates, we used discrete Fourier transform filtering, e.g., a Gaussian low-high pass filter with a cut-off frequency. The primary modulation method was evaluated using a cylindrical phantom in the DEDR system. The scatter components were accurately removed using a primary modulator. When the results acquired with scatter correction and without scatter correction were compared, the average contrast-to-noise ratio (CNR) with the correction was 1.35 times higher than that obtained without the correction, and the average root mean square error (RMSE) with the correction was 38.00% better than that without the correction. In the subtraction study, the average CNR with the correction was 2.04 (aluminum subtraction) and 1.38 (polymethyl methacrylate (PMMA) subtraction) times higher than that obtained without the correction. The analysis demonstrated the accuracy of the scatter correction and the
Energy Technology Data Exchange (ETDEWEB)
Curry, J J, E-mail: jjcurry@nist.go [National Institute of Standards and Technology, Gaithersburg, MD 20899-8422 (United States)
2010-06-16
Coherent and incoherent scattering of x-rays during x-ray absorption imaging of high-intensity discharge lamps have been studied with Monte Carlo simulations developed specifically for this purpose. The Monte Carlo code is described and some initial results are discussed. Coherent scattering, because of its angular concentration in the forward direction, is found to be the most significant scattering mechanism. Incoherent scattering, although comparably strong, is not as significant because it results primarily in photons being scattered in the rearward direction and therefore out of the detector. Coherent scattering interferes with the detected absorption signal because the path of a scattered photon through the object to be imaged is unknown. Although scattering is usually a small effect, it can be significant in regions of high contrast. At the discharge/wall interface, as many as 50% of the detected photons are scattered photons. The effect of scattering on analysis of Hg distributions has not yet been quantified.
Light focusing through a multiple scattering medium: ab initio computer simulation
Danko, Oleksandr; Danko, Volodymyr; Kovalenko, Andrey
2018-01-01
The present study considers ab initio computer simulation of the light focusing through a complex scattering medium. The focusing is performed by shaping the incident light beam in order to obtain a small focused spot on the opposite side of the scattering layer. MSTM software (Auburn University) is used to simulate the propagation of an arbitrary monochromatic Gaussian beam and obtain 2D distribution of the optical field in the selected plane of the investigated volume. Based on the set of incident and scattered fields, the pair of right and left eigen bases and corresponding singular values were calculated. The pair of right and left eigen modes together with the corresponding singular value constitute the transmittance eigen channel of the disordered media. Thus, the scattering process is described in three steps: 1) initial field decomposition in the right eigen basis; 2) scaling of decomposition coefficients for the corresponding singular values; 3) assembling of the scattered field as the composition of the weighted left eigen modes. Basis fields are represented as a linear combination of the original Gaussian beams and scattered fields. It was demonstrated that 60 independent control channels provide focusing the light into a spot with the minimal radius of approximately 0.4 μm at half maximum. The intensity enhancement in the focal plane was equal to 68 that coincided with theoretical prediction.
The effect of scattering on single photon transmission of optical angular momentum
International Nuclear Information System (INIS)
Andrews, D L
2011-01-01
Schemes for the communication and registration of optical angular momentum depend on the fidelity of transmission between optical system components. It is known that electron spin can be faithfully relayed between exciton states in quantum dots; it has also been shown by several theoretical and experimental studies that the use of beams conveying orbital angular momentum can significantly extend the density and efficiency of such information transfer. However, it remains unclear to what extent the operation of such a concept at the single photon level is practicable—especially where this involves optical propagation through a material system, in which forward scattering events can intervene. The possibility of transmitting and decoding angular momentum over nanoscale distances itself raises other important issues associated with near-field interrogation. This paper provides a framework to address these and related issues. A quantum electrodynamical representation is constructed and used to pursue the consequences of individual photons, from a Laguerre–Gaussian beam, undergoing single and multiple scattering events in the course of propagation. In this context, issues concerning orbital angular momentum conservation, and its possible compromise, are tackled by identifying the relevant components of the electromagnetic scattering and coupling tensors, using an irreducible Cartesian basis. The physical interpretation broadly supports the fidelity of quantum information transmission, but it also identifies potential limitations of principle
The effect of scattering on single photon transmission of optical angular momentum
Andrews, D. L.
2011-06-01
Schemes for the communication and registration of optical angular momentum depend on the fidelity of transmission between optical system components. It is known that electron spin can be faithfully relayed between exciton states in quantum dots; it has also been shown by several theoretical and experimental studies that the use of beams conveying orbital angular momentum can significantly extend the density and efficiency of such information transfer. However, it remains unclear to what extent the operation of such a concept at the single photon level is practicable—especially where this involves optical propagation through a material system, in which forward scattering events can intervene. The possibility of transmitting and decoding angular momentum over nanoscale distances itself raises other important issues associated with near-field interrogation. This paper provides a framework to address these and related issues. A quantum electrodynamical representation is constructed and used to pursue the consequences of individual photons, from a Laguerre-Gaussian beam, undergoing single and multiple scattering events in the course of propagation. In this context, issues concerning orbital angular momentum conservation, and its possible compromise, are tackled by identifying the relevant components of the electromagnetic scattering and coupling tensors, using an irreducible Cartesian basis. The physical interpretation broadly supports the fidelity of quantum information transmission, but it also identifies potential limitations of principle.
Numerical simulation of single bubble boiling behavior
Directory of Open Access Journals (Sweden)
Junjie Liu
2017-06-01
Full Text Available The phenomena of a single bubble boiling process are studied with numerical modeling. The mass, momentum, energy and level set equations are solved using COMSOL multi-physics software. The bubble boiling dynamics, the transient pressure field, velocity field and temperature field in time are analyzed, and reasonable results are obtained. The numeral model is validated by the empirical equation of Fritz and could be used for various applications.
International Nuclear Information System (INIS)
Oliveira, Monica G. Nunes; Braz, Delson; Silva, Regina Cely B. da S.
2005-01-01
The computer simulation has been widely used in physical researches by both the viability of the codes and the growth of the power of computers in the last decades. The Monte Carlo simulation program, EGS4 code is a simulation program used in the area of radiation transport. The simulators, surrogate tissues, phantoms are objects used to perform studies on dosimetric quantities and quality testing of images. The simulators have characteristics of scattering and absorption of radiation similar to tissues that make up the body. The aim of this work is to translate the effects of radiation interactions in a real healthy breast tissues, sick and on simulators using the EGS4 Monte Carlo simulation code
One-dimensional theory and simulation of acceleration in relativistic electron beam Raman scattering
International Nuclear Information System (INIS)
Abe, T.
1986-01-01
Raman scattering by a parallel relativistic electron beam was examined analytically and by using the numerical simulation. Incident wave energy can be transferred not only to the scattered electromagnetic wave but also to the beam. That is, the beam can be accelerated by the Doppler-shifted plasma oscillation accompanied by the scattered wave. The energy conversion rates for them were obtained. They increase with the γ value of the electron beam. For the larger γ values of the beam, the energy of the incident wave is mainly transferred to the beam, while in smaller γ, the energy conversion rate to the scattered wave is about 0.2 times that to the beam. Even in smaller γ, the total energy conversion rate is about 0.1
Kuo, C. P.; Yang, P.; Huang, X.; Feldman, D.; Flanner, M.; Kuo, C.; Mlawer, E. J.
2017-12-01
Clouds, which cover approximately 67% of the globe, serve as one of the major modulators in adjusting radiative energy on the Earth. Since rigorous radiative transfer computations including multiple scattering are costly, only absorption is considered in the longwave spectral bands in the radiation sub-models of the general circulation models (GCMs). Quantification of the effect of ignoring longwave scattering for flux and heating rate simulations is performed by using the GCM version of the Longwave Rapid Radiative Transfer Model (RRTMG_LW) with an implementation with the 16-stream Discrete Ordinates Radiative Transfer (DISORT) Program for a Multi-Layered Plane-Parallel Medium in conjunction with the 2010 CCCM products that merge satellite observations from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO), the CloudSat, the Clouds and the Earth's Radiant Energy System (CERES) and the Moderate Resolution Imaging Spectrometer (MODIS). One-year global simulations show that neglecting longwave scattering overestimates upward flux at the top of the atmosphere (TOA) and underestimates downward flux at the surface by approximately 2.63 and 1.15 W/m2, respectively. Furthermore, when longwave scattering is included in the simulations, the tropopause is cooled by approximately 0.018 K/day and the surface is heated by approximately 0.028 K/day. As a result, the radiative effects of ignoring longwave scattering and doubling CO2 are comparable in magnitude.
International Nuclear Information System (INIS)
Ding Yinfeng; Zhang Zhibin; Ke Xuezhi; Zhu Zhiyuan; Zhu Dezhang; Wang Zhenxia; Xu Hongjie
2005-01-01
The single carbon atom transporting through the single-walled carbon nanotube has been studied by molecular-dynamics (MD) simulation. We got different trajectories of the carbon atom by changing the input parameters. The simulation results indicate that the single carbon atom with low energy can transport through the carbon nanotube under some input conditions and result in different trajectories being straight line or 'rosette' or circular. (authors)
Non-Markovian dynamics of a qubit due to single-photon scattering in a waveguide
Fang, Yao-Lung L.; Ciccarello, Francesco; Baranger, Harold U.
2018-04-01
We investigate the open dynamics of a qubit due to scattering of a single photon in an infinite or semi-infinite waveguide. Through an exact solution of the time-dependent multi-photon scattering problem, we find the qubit's dynamical map. Tools of open quantum systems theory allow us then to show the general features of this map, find the corresponding non-Linbladian master equation, and assess in a rigorous way its non-Markovian nature. The qubit dynamics has distinctive features that, in particular, do not occur in emission processes. Two fundamental sources of non-Markovianity are present: the finite width of the photon wavepacket and the time delay for propagation between the qubit and the end of the semi-infinite waveguide.
Resonant stimulation of Raman scattering from single-crystal thiophene/phenylene co-oligomers
International Nuclear Information System (INIS)
Yanagi, Hisao; Marutani, Yusuke; Matsuoka, Naoki; Hiramatsu, Toru; Ishizumi, Atsushi; Sasaki, Fumio; Hotta, Shu
2013-01-01
Amplified Raman scattering was observed from single crystals of thiophene/phenylene co-oligomers (TPCOs). Under ns-pulsed excitation, the TPCO crystals exhibited amplified spontaneous emission (ASE) at resonant absorption wavelengths. With increasing excitation wavelength to the 0-0 absorption edge, the stimulated resonant Raman peaks appeared both in the 0-1 and 0-2 ASE band regions. When the excitation wavelength coincided with the 0-1 ASE band energy, the Raman peaks selectively appeared in the 0-2 ASE band. Such unusual enhancement of the 0-2 Raman scattering was ascribed to resonant stimulation via vibronic coupling with electronic transitions in the uniaxially oriented TPCO molecules
International Nuclear Information System (INIS)
Johnston, P.N.; Franich, R.D.
1999-01-01
Heavy Ion Elastic Recoil Detection Analysis (HIERDA) is becoming widely used to study a range of problems in materials science, however there is no standard methodology for the analysis of HIERDA spectra. Major impediments are the effects of multiple and plural scattering which are very significant, even for quite thin (∼100nm) layers of very heavy elements. To examine the effects of multiple scattering a fast FORTRAN version of TRIM has been adapted to simulate the spectrum of backscattered and recoiled ions reaching the detector. Two problems have been initially investigated. In the first, the detector is positioned beyond the critical angle for single scattering from a pure vanadium target where traditional slab analysis would not predict any scattered yield. In the second, a thin Au layer on a Si substrate is modelled for two different thicknesses of the substrate to investigate the effect of the substrate chosen. The use of multiple processors enabled the acquisition of statistically reasonable simulation spectra for scattered and recoiled ions. For each target modelled, 10 9 incident ions were tracked. The results of the simulations are compared with experimental measurements performed using ToF-E HIERDA at Lucas Heights and show good agreement except in the long tails due to Plural Scattering
Simulation of effects of incident beam condition in p-p elastic scattering
International Nuclear Information System (INIS)
Yu Lei; Zhang Gaolong; Le Xiaoyun; Tanihata, I.
2014-01-01
The simulation is performed for the monitors of beam direction and beam position for p-p elastic scattering. We set several variables to simulate the monitors of incident beam condition changes: beam positions at the quadrupole magnet and target in beam line polarimeter (BLP2), distance between quadrupole magnet and target, size of plastic scintillators, distance between the target in BLP2 and the centers of plastic scintillators, and beam polarization. Through the rotation of the coordinate system, the distributions of scattered and recoiled protons in the laboratory system were obtained. By analyzing the count yields in plastic scintillators at different beam positions, we found that the beam incident angular change (0.35°) could be detected when the asymmetry of geometries of left and right scintillators in BLP2 was changed by 6%. Therefore, the scattering angle measured in the experiment can be tracked by these monitors. (authors)
Label-free, single-object sensing with a microring resonator: FDTD simulation.
Nguyen, Dan T; Norwood, Robert A
2013-01-14
Label-free, single-object sensing with a microring resonator is investigated numerically using the finite difference time-domain (FDTD) method. A pulse with ultra-wide bandwidth that spans over several resonant modes of the ring and of the sensing object is used for simulation, enabling a single-shot simulation of the microring sensing. The FDTD simulation not only can describe the circulation of the light in a whispering-gallery-mode (WGM) microring and multiple interactions between the light and the sensing object, but also other important factors of the sensing system, such as scattering and radiation losses. The FDTD results show that the simulation can yield a resonant shift of the WGM cavity modes. Furthermore, it can also extract eigenmodes of the sensing object, and therefore information from deep inside the object. The simulation method is not only suitable for a single object (single molecule, nano-, micro-scale particle) but can be extended to the problem of multiple objects as well.
Broad-band near-field ground motion simulations in 3-dimensional scattering media
Imperatori, W.
2012-12-06
The heterogeneous nature of Earth\\'s crust is manifested in the scattering of propagating seismic waves. In recent years, different techniques have been developed to include such phenomenon in broad-band ground-motion calculations, either considering scattering as a semi-stochastic or purely stochastic process. In this study, we simulate broad-band (0–10 Hz) ground motions with a 3-D finite-difference wave propagation solver using several 3-D media characterized by von Karman correlation functions with different correlation lengths and standard deviation values. Our goal is to investigate scattering characteristics and its influence on the seismic wavefield at short and intermediate distances from the source in terms of ground motion parameters. We also examine scattering phenomena, related to the loss of radiation pattern and the directivity breakdown. We first simulate broad-band ground motions for a point-source characterized by a classic ω2 spectrum model. Fault finiteness is then introduced by means of a Haskell-type source model presenting both subshear and super-shear rupture speed. Results indicate that scattering plays an important role in ground motion even at short distances from the source, where source effects are thought to be dominating. In particular, peak ground motion parameters can be affected even at relatively low frequencies, implying that earthquake ground-motion simulations should include scattering also for peak ground velocity (PGV) calculations. At the same time, we find a gradual loss of the source signature in the 2–5 Hz frequency range, together with a distortion of the Mach cones in case of super-shear rupture. For more complex source models and truly heterogeneous Earth, these effects may occur even at lower frequencies. Our simulations suggests that von Karman correlation functions with correlation length between several hundred metres and few kilometres, Hurst exponent around 0.3 and standard deviation in the 5–10 per cent
Monte Carlo simulations of neutron-scattering instruments using McStas
DEFF Research Database (Denmark)
Nielsen, K.; Lefmann, K.
2000-01-01
Monte Carlo simulations have become an essential tool for improving the performance of neutron-scattering instruments, since the level of sophistication in the design of instruments is defeating purely analytical methods. The program McStas, being developed at Rise National Laboratory, includes...
Broad-band near-field ground motion simulations in 3-dimensional scattering media
Imperatori, W.; Mai, Paul Martin
2012-01-01
examine scattering phenomena, related to the loss of radiation pattern and the directivity breakdown. We first simulate broad-band ground motions for a point-source characterized by a classic ω2 spectrum model. Fault finiteness is then introduced by means
Cell light scattering characteristic numerical simulation research based on FDTD algorithm
Lin, Xiaogang; Wan, Nan; Zhu, Hao; Weng, Lingdong
2017-01-01
In this study, finite-difference time-domain (FDTD) algorithm has been used to work out the cell light scattering problem. Before beginning to do the simulation contrast, finding out the changes or the differences between normal cells and abnormal cells which may be cancerous or maldevelopment is necessary. The preparation of simulation are building up the simple cell model of cell which consists of organelles, nucleus and cytoplasm and setting up the suitable precision of mesh. Meanwhile, setting up the total field scattering field source as the excitation source and far field projection analysis group is also important. Every step need to be explained by the principles of mathematic such as the numerical dispersion, perfect matched layer boundary condition and near-far field extrapolation. The consequences of simulation indicated that the position of nucleus changed will increase the back scattering intensity and the significant difference on the peak value of scattering intensity may result from the changes of the size of cytoplasm. The study may help us find out the regulations based on the simulation consequences and the regulations can be meaningful for early diagnosis of cancers.
Analysis of PKP scattering using mantle mixing simulations and axisymmetric 3D waveforms
Haugland, Samuel M.; Ritsema, Jeroen; van Keken, Peter E.; Nissen-Meyer, Tarje
2018-03-01
The scattering of PKP waves in the lower mantle produces isolated signals before the PKIKP phase. We explore whether these so-called PKIKP precursors can be related to wave scattering off mid ocean ridge basalt (MORB) fragments that have been advected in the deep mantle throughout geologic time. We construct seismic models of small-scale (>20 km) heterogeneity in the lower mantle informed by mantle mixing simulations from Brandenburg et al. (2008) and generate PKIKP precursors using 3D, axisymmetric waveform simulations up to 0.75 Hz. We consider two end-member geodynamic models with fundamentally different distributions of MORB in the lower mantle. Our results suggest that the accumulation of MORB at the base of the mantle is a viable hypothesis for the origin of PKP scattering. We find that the strength of the PKIKP precursor amplitudes is consistent with P wave speed heterogeneity of 0.1-0.2%, as reported previously. The radial distribution of MORB has a profound effect on the strength of PKIKP precursors. Simulation of PKIKP precursors for models with an increasing MORB concentration in the lowermost 500 km of the mantle appears to reproduce most accurately the strength of PKIKP precursors in Global Seismic Network waveforms. These models assume that MORB has an excess density of at least 7%. Additional simulations of more complex geodynamic models will better constrain the geodynamic conditions to explain the significant variability of PKP scattering strength.
A Monte Carlo simulation of scattering reduction in spectral x-ray computed tomography
DEFF Research Database (Denmark)
Busi, Matteo; Olsen, Ulrik Lund; Bergbäck Knudsen, Erik
2017-01-01
In X-ray computed tomography (CT), scattered radiation plays an important role in the accurate reconstruction of the inspected object, leading to a loss of contrast between the different materials in the reconstruction volume and cupping artifacts in the images. We present a Monte Carlo simulation...
DEFF Research Database (Denmark)
Salewski, Mirko; Meo, Fernando; Stejner Pedersen, Morten
2010-01-01
Collective Thomson scattering (CTS) experiments were carried out at ASDEX Upgrade to measure the one-dimensional velocity distribution functions of fast ion populations. These measurements are compared with simulations using the codes TRANSP/NUBEAM and ASCOT for two different neutral beam injecti...
Monte Carlo Modelling of Single-Crystal Diffuse Scattering from Intermetallics
Directory of Open Access Journals (Sweden)
Darren J. Goossens
2016-02-01
Full Text Available Single-crystal diffuse scattering (SCDS reveals detailed structural insights into materials. In particular, it is sensitive to two-body correlations, whereas traditional Bragg peak-based methods are sensitive to single-body correlations. This means that diffuse scattering is sensitive to ordering that persists for just a few unit cells: nanoscale order, sometimes referred to as “local structure”, which is often crucial for understanding a material and its function. Metals and alloys were early candidates for SCDS studies because of the availability of large single crystals. While great progress has been made in areas like ab initio modelling and molecular dynamics, a place remains for Monte Carlo modelling of model crystals because of its ability to model very large systems; important when correlations are relatively long (though still finite in range. This paper briefly outlines, and gives examples of, some Monte Carlo methods appropriate for the modelling of SCDS from metallic compounds, and considers data collection as well as analysis. Even if the interest in the material is driven primarily by magnetism or transport behaviour, an understanding of the local structure can underpin such studies and give an indication of nanoscale inhomogeneity.
DEFF Research Database (Denmark)
Farhi, E.; Monzat, C.; Arnerin, R.
2014-01-01
-up, including lenses and prisms. A new library for McStas adds the ability to describe any geometrical arrangement as a set of polygons. This feature has been implemented in most sample scattering components such as Single_crystal, Incoherent, Isotropic_Sqw (liquids/amorphous/powder), PowderN as well...
International Nuclear Information System (INIS)
Masson-Laborde, P. E.; Depierreux, S.; Loiseau, P.; Hüller, S.; Pesme, D.; Labaune, Ch.; Bandulet, H.
2014-01-01
The origin of the low level of stimulated Brillouin scattering (SBS) observed in laser-plasma experiments carried out with a single laser speckle is investigated by means of three-dimensional simulations and modeling in the limit when the laser beam power P is well above the critical power for ponderomotive self-focusing We find that the order of magnitude of the time averaged reflectivities, together with the temporal and spatial SBS localization observed in our simulations, are correctly reproduced by our modeling. It is observed that, after a short transient stage, SBS reaches a significant level only (i) as long as the incident laser pulse is increasing in amplitude and (ii) in a single self-focused speckle located in the low-density front part of the plasma. In order to describe self-focusing in an inhomogeneous expanding plasma, we have derived a new Lagrangian density describing this process. Using then a variational approach, our model reproduces the position and the peak intensity of the self-focusing hot spot in the front part of the plasma density profile as well as the local density depletion in this hot spot. The knowledge of these parameters then makes it possible to estimate the spatial amplification of SBS as a function of the laser beam power and consequently to explain the experimentally observed SBS reflectivity, considerably reduced with respect to standard theory in the regime of large laser beam power
Resonances in a two-dimensional electron waveguide with a single δ-function scatterer
International Nuclear Information System (INIS)
Boese, Daniel; Lischka, Markus; Reichl, L. E.
2000-01-01
We study the conductance properties of a straight two-dimensional electron waveguide with an s-like scatterer modeled by a single δ-function potential with a finite number of modes. Even such a simple system exhibits interesting resonance phenomena. These resonances are explained in terms of quasibound states both by using a direct solution of the Schroedinger equation and by studying the Green's function of the system. Using the Green's function we calculate the survival probability as well as the power absorption, and show the influence of the quasibound states on these two quantities. (c) 2000 The American Physical Society
DEFF Research Database (Denmark)
Bai, M.; Miskowiec, A.; Hansen, F. Y.
2012-01-01
High-energy-resolution quasielastic neutron scattering has been used to elucidate the diffusion of water molecules in proximity to single bilayer lipid membranes supported on a silicon substrate. By varying sample temperature, level of hydration, and deuteration, we identify three different types...... of diffusive water motion: bulk-like, confined, and bound. The motion of bulk-like and confined water molecules is fast compared to those bound to the lipid head groups (7-10 H2O molecules per lipid), which move on the same nanosecond time scale as H atoms within the lipid molecules. Copyright (C) EPLA, 2012...
Single- and coupled-channel radial inverse scattering with supersymmetric transformations
International Nuclear Information System (INIS)
Baye, Daniel; Sparenberg, Jean-Marc; Pupasov-Maksimov, Andrey M; Samsonov, Boris F
2014-01-01
The present status of the three-dimensional inverse-scattering method with supersymmetric transformations is reviewed for the coupled-channel case. We first revisit in a pedagogical way the single-channel case, where the supersymmetric approach is shown to provide a complete, efficient and elegant solution to the inverse-scattering problem for the radial Schrödinger equation with short-range interactions. A special emphasis is put on the differences between conservative and non-conservative transformations, i.e. transformations that do or do not conserve the behaviour of solutions of the radial Schrödinger equation at the origin. In particular, we show that for the zero initial potential, a non-conservative transformation is always equivalent to a pair of conservative transformations. These single-channel results are illustrated on the inversion of the neutron–proton triplet eigenphase shifts for the S- and D-waves. We then summarize and extend our previous works on the coupled-channel case, i.e. on systems of coupled radial Schrödinger equations, and stress remaining difficulties and open questions of this problem by putting it in perspective with the single-channel case. We mostly concentrate on two-channel examples to illustrate general principles while keeping mathematics as simple as possible. In particular, we discuss the important difference between the equal-threshold and different-threshold problems. For equal thresholds, conservative transformations can provide non-diagonal Jost and scattering matrices. Iterations of such transformations in the two-channel case are studied and shown to lead to practical algorithms for inversion. A convenient particular technique where the mixing parameter can be fitted without modifying the eigenphases is developed with iterations of pairs of conjugate transformations. This technique is applied to the neutron–proton triplet S–D scattering matrix, for which exactly-solvable matrix potential models are constructed
Simulation of a single basin solar still
International Nuclear Information System (INIS)
Ammari, D. H.
1998-01-01
A simulation of a simple solar powered water desalination still is attempted in order to investigate its performance and assess the productivity of potable water in different regions in Jordan representing the Rift Valley, high mountains and plateau, and desert. The potable water productivity and unit efficiency were estimated per day, month and year of hourly operation. The results obtained have indicated that maximum annual daily average output of potable water is achieved in Aqaba at the south end of the Rift Valley and at a rate of 5.425 kg/m 2 , and a minimum output in Ghor Safi at the centre of the Rift Valley with a rate of 4.550 kg/m 2 . Wadi Dhulail in the eastern desert and Amman in the mountains and plateau region come second and third, respectively, in regards to annual daily average yield of potable water. The still's performance is evaluated in terms of the overall efficiency that has reached as high as 60% in June and as low as 40% in december with the still in Aqaba claiming the best performance.Furthermore, correlations approximating the still's daily output at the various locations based on daily solar radiation levels are proposed. (Author). 13 refs., 10 figs
Simulation on scattering features of biological tissue based on generated refractive-index model
International Nuclear Information System (INIS)
Wang Baoyong; Ding Zhihua
2011-01-01
Important information on morphology of biological tissue can be deduced from elastic scattering spectra, and their analyses are based on the known refractive-index model of tissue. In this paper, a new numerical refractive-index model is put forward, and its scattering properties are intensively studied. Spectral decomposition [1] is a widely used method to generate random medium in geology, but it is never used in biology. Biological tissue is different from geology in the sense of random medium. Autocorrelation function describe almost all of features in geology, but biological tissue is not as random as geology, its structure is regular in the sense of fractal geometry [2] , and fractal dimension can be used to describe its regularity under random. Firstly scattering theories of this fractal media are reviewed. Secondly the detailed generation process of refractive-index is presented. Finally the scattering features are simulated in FDTD (Finite Difference Time Domain) Solutions software. From the simulation results, we find that autocorrelation length and fractal dimension controls scattering feature of biological tissue.
Bacon, Neil Julian
2001-12-01
I describe experiments to investigate the properties of microscopic ice particles. The goal of the work was to measure parameters that are important in cloud processes and radiative transfer, using a novel technique that avoids the use of substrates. The experiments were conducted in two separate electrodynamic balance chambers. Single, charged ice particles were formed from frost particles or from droplets frozen either homogeneously or heteroge neously with a bionucleant. The particles were trapped at temperatures between -38°C and -4°C and grown or sublimated according to the temperature gradient in the cham ber. I describe observations of breakup of sublimating frost particles, measurements of light scattering by hexagonal crystals, and observations of the morphology of ice particles grown from frozen water droplets and frost particles. The breaking strength of frost particles was an order of magnitude less than that of bulk ice. Light scattering features not previously observed were analyzed and related to crystal dimension. Initial results from a computer model failed to reproduce these features. The widths of scattering peaks suggest that surface roughness may play a role in determining the angular distribution of scattered light. Ice particle mass evolution was found to be consistent with diffusion- limited growth. Crystals grown slowly from frozen droplets adopted isometric habits, while faster growth resulted in thin side-planes, although there was not an exact correspondence between growth conditions and particle morphology. From the morphological transition, I infer lower limits for the critical supersaturation for layer nucleation on the prism face of 2.4% at -15°C, 4.4% at -20°C, and 3.1% at -25°C. Analytic expressions for the size dependence of facet stability are developed, indicating a strong dependence of stability on both crystal size and surface kinetics, and compared with data. I discuss the role of complex particle morphologies in
Simple scattering analysis and simulation of optical components created by additive manufacturing
Rank, M.; Horsak, A.; Heinrich, A.
2017-10-01
Additive manufacturing of optical elements is known but still new to the field of optical fabrication. In 3D printers, the parts are deposited layer-by-layer approximating the shape defined in optics design enabling new shapes, which cannot be manufactured using conventional methods. However, the layered structure also causes surface roughness and subsurface scattering, which decrease the quality of optical elements. Illuminating a flat sample with a laser beam, different light distributions are generated on a screen depending on the printing orientation of the sample. Whereas the laser beam is mainly diffused by the samples, a line shaped light distribution can be achieved for a special case in which the laser light goes parallel to the layer structure. These optical effects of 3D printed parts are analyzed using a goniometric setup and fed back into the optics simulation with the goal to improve the design considering the characteristics of the real sample. For a detailed look on the effect, the total scattering is split up into surface contributions and subsurface scattering using index matching techniques to isolate the effects from each other. For an index matched sample with negligible surface effects the line shaped distribution turns into a diffraction pattern which corresponds to the layer thickness of the printer. Finally, an optic simulation with the scattering data is set up for a simple curved sample. The light distribution measured with a robot-based goniophotometer differs from the simulation, because the curvature is approximated by the layer structure. This makes additional analysis necessary.
CELES: CUDA-accelerated simulation of electromagnetic scattering by large ensembles of spheres
Egel, Amos; Pattelli, Lorenzo; Mazzamuto, Giacomo; Wiersma, Diederik S.; Lemmer, Uli
2017-09-01
CELES is a freely available MATLAB toolbox to simulate light scattering by many spherical particles. Aiming at high computational performance, CELES leverages block-diagonal preconditioning, a lookup-table approach to evaluate costly functions and massively parallel execution on NVIDIA graphics processing units using the CUDA computing platform. The combination of these techniques allows to efficiently address large electrodynamic problems (>104 scatterers) on inexpensive consumer hardware. In this paper, we validate near- and far-field distributions against the well-established multi-sphere T-matrix (MSTM) code and discuss the convergence behavior for ensembles of different sizes, including an exemplary system comprising 105 particles.
Diffuse scattering and defect structure simulations a cook book using the program DISCUS
Neder, Reinhard B
2009-01-01
In recent years it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been missing is a detailed step-by-step guide how to simulate disordered materials. The DISCUS cook book fills this need covering simple topics such as building a computer crystal to complextopic such as domain structures, stacking faults or using advanced refinement techniques to adjust parameters on a dis
Mao, Aiqin; Jin, Xia; Gu, Xiaolong; Wei, Xiaoqing; Yang, Guojing
2012-08-01
Single-crystal silver (Ag) nanocubes have been synthesized by a rapid and green method at room temperature by adding sodium hydroxide solution to the mixed solutions of silver nitrate, glucose and polyvinylpyrrolidone (PVP). The X-ray diffraction (XRD), ultraviolet-visible (UV-visible) and transmission electron microscopy (TEM) were used to characterize the phase composition and morphology. The results showed that the as-prepared particles were single-crystal Ag nanocubes with edge lengths of around 77 nm and a growing direction along {1 0 0} facets. As substrates for surface-enhanced Raman scattering (SERS) experiment on crystal violet (CV), the SERS enhancement factor of the as-prepared Ag nanocubes were measured to be 5.5 × 104, indicating potential applications in chemical and biological analysis.
Studies of isotopic defined hydrogen beams scattering from Pd single-crystal surfaces
International Nuclear Information System (INIS)
Varlam, Mihai; Steflea, Dumitru
2001-01-01
An experimental investigation of hydrogen isotopes interaction with Pd single-crystal surface has been carried out using molecular beam technique. The energy dependence of the sticking probability and its relation with the trapping probability into the precursor state is studied by integrating the scattered angular distribution of hydrogen Isotopic defined beams from Pd (111) surface in the 40-400 K surface temperature range. The dependence has been evaluated by defining hydrogen molecular beams with different isotopic concentration - from the natural one to the 5% D/(D+H) ratio - and for different incident energies. The beam was directed onto a single-crystal Pd (111) surface. In the paper, we report the experimental results and some considerations related to it. (authors)
Studies of isotopic defined hydrogen beams scattering from Pd single-crystal surfaces
International Nuclear Information System (INIS)
Varlam, Mihai; Steflea, Dumitru
1999-01-01
An experimental investigation of hydrogen isotopes interaction with Pd single-crystal surfaces has been carried out using molecular beam technique. The energy dependence of the sticking probability and its relation with the trapping probability into the precursor state is studied by integrating the scattered angular distribution of hydrogen isotopic defined beams from Pd (111) surfaces in the 40 - 400 K surface temperature range. The dependence has been evaluated by defining hydrogen molecular beams with different isotopic concentration - from the natural one until 5% D/(D + H) and different incident energies and directed onto a single - crystal Pd (111) surface. In the paper, we report the experimental results and some considerations related to them. (authors)
International Nuclear Information System (INIS)
Haldipur, P.; Margetan, F. J.; Thompson, R. B.
2006-01-01
Single-crystal elastic stiffness constants are important input parameters for many calculations in material science. There are well established methods to measure these constants using single-crystal specimens, but such specimens are not always readily available. The ultrasonic properties of metal polycrystals, such as velocity, attenuation, and backscattered grain noise characteristics, depend in part on the single-crystal elastic constants. In this work we consider the estimation of elastic constants from UT measurements and grain-sizing data. We confine ourselves to a class of particularly simple polycrystalline microstructures, found in some jet-engine Nickel alloys, which are single-phase, cubic, equiaxed, and untextured. In past work we described a method to estimate the single-crystal elastic constants from measured ultrasonic velocity and attenuation data accompanied by metallographic analysis of grain size. However, that methodology assumes that all attenuation is due to grain scattering, and thus is not valid if appreciable absorption is present. In this work we describe an alternative approach which uses backscattered grain noise data in place of attenuation data. Efforts to validate the method using a pure copper specimen are discussed, and new results for two jet-engine Nickel alloys are presented
Analyses of the energy-dependent single separable potential models for the NN scattering
International Nuclear Information System (INIS)
Ahmad, S.S.; Beghi, L.
1981-08-01
Starting from a systematic study of the salient features regarding the quantum-mechanical two-particle scattering off an energy-dependent (ED) single separable potential and its connection with the rank-2 energy-independent (EI) separable potential in the T-(K-) amplitude formulation, the present status of the ED single separable potential models due to Tabakin (M1), Garcilazo (M2) and Ahmad (M3) has been discussed. It turned out that the incorporation of a self-consistent optimization procedure improves considerably the results of the 1 S 0 and 3 S 1 scattering phase shifts for the models (M2) and (M3) up to the CM wave number q=2.5 fm -1 , although the extrapolation of the results up to q=10 fm -1 reveals that the two models follow the typical behaviour of the well-known super-soft core potentials. It has been found that a variant of (M3) - i.e. (M4) involving one more parameter - gives the phase shifts results which are generally in excellent agreement with the data up to q=2.5 fm -1 and the extrapolation of the results for the 1 S 0 case in the higher wave number range not only follows the corresponding data qualitatively but also reflects a behaviour similar to the Reid soft core and Hamada-Johnston potentials together with a good agreement with the recent [4/3] Pade fits. A brief discussion regarding the features resulting from the variations in the ED parts of all the four models under consideration and their correlations with the inverse scattering theory methodology concludes the paper. (author)
International Nuclear Information System (INIS)
Mhamdi, B.; Grayaa, K.; Aguili, T.
2011-01-01
In this paper, a microwave imaging technique for reconstructing the shape of two-dimensional perfectly conducting scatterers by means of a stochastic optimization approach is investigated. Based on the boundary condition and the measured scattered field derived by transverse magnetic illuminations, a set of nonlinear integral equations is obtained and the imaging problem is reformulated in to an optimization problem. A hybrid approximation algorithm, called PSO-SA, is developed in this work to solve the scattering inverse problem. In the hybrid algorithm, particle swarm optimization (PSO) combines global search and local search for finding the optimal results assignment with reasonable time and simulated annealing (SA) uses certain probability to avoid being trapped in a local optimum. The hybrid approach elegantly combines the exploration ability of PSO with the exploitation ability of SA. Reconstruction results are compared with exact shapes of some conducting cylinders; and good agreements with the original shapes are observed.
Simulation of an IXS imaging analyzer with an extended scattering source
Energy Technology Data Exchange (ETDEWEB)
Suvorov, Alexey [Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II; Cai, Yong Q. [Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II
2016-09-15
A concept of an inelastic x-ray scattering (IXS) spectrograph with an imaging analyzer was proposed recently and discussed in a number of publications (see e.g. Ref.1). The imaging analyzer as proposed combines x-ray lenses with highly dispersive crystal optics. It allows conversion of the x-ray energy spectrum into a spatial image with very high energy resolution. However, the presented theoretical analysis of the spectrograph did not take into account details of the scattered radiation source, i.e. sample, and its impact on the spectrograph performance. Using numerical simulations we investigated the influence of the finite sample thickness, the scattering angle and the incident energy detuning on the analyzer image and the ultimate resolution.
Simulating the influence of scatter and beam hardening in dimensional computed tomography
Lifton, J. J.; Carmignato, S.
2017-10-01
Cone-beam x-ray computed tomography (XCT) is a radiographic scanning technique that allows the non-destructive dimensional measurement of an object’s internal and external features. XCT measurements are influenced by a number of different factors that are poorly understood. This work investigates how non-linear x-ray attenuation caused by beam hardening and scatter influences XCT-based dimensional measurements through the use of simulated data. For the measurement task considered, both scatter and beam hardening are found to influence dimensional measurements when evaluated using the ISO50 surface determination method. On the other hand, only beam hardening is found to influence dimensional measurements when evaluated using an advanced surface determination method. Based on the results presented, recommendations on the use of beam hardening and scatter correction for dimensional XCT are given.
Monte Carlo simulations of increased/decreased scattering inclusions inside a turbid slab
International Nuclear Information System (INIS)
Dagdug, Leonardo; Chernomordik, Victor; Weiss, George H; Gandjbakhche, Amir H
2005-01-01
We analyse the effect on scattered photons of anomalous optical inclusions in a turbid slab with otherwise uniform properties. Our motivation for doing so is that inclusions affect scattering contrast used to quantify optical properties found from transmitted light intensity measured in transillumination experiments. The analysis is based on a lattice random walk formalism which takes into account effects of both positive and negative deviations of the scattering coefficient from that of the bulk. Our simulations indicate the existence of a qualitative difference between the effects of these two types of perturbations. In the case of positive perturbations the time delay is found to be proportional to the square of the size of the inclusion while for negative perturbations the time delay is a linear function of its volume
International Nuclear Information System (INIS)
Xiong, Chuan; Shi, Jiancheng
2014-01-01
To date, the light scattering models of snow consider very little about the real snow microstructures. The ideal spherical or other single shaped particle assumptions in previous snow light scattering models can cause error in light scattering modeling of snow and further cause errors in remote sensing inversion algorithms. This paper tries to build up a snow polarized reflectance model based on bicontinuous medium, with which the real snow microstructure is considered. The accurate specific surface area of bicontinuous medium can be analytically derived. The polarized Monte Carlo ray tracing technique is applied to the computer generated bicontinuous medium. With proper algorithms, the snow surface albedo, bidirectional reflectance distribution function (BRDF) and polarized BRDF can be simulated. The validation of model predicted spectral albedo and bidirectional reflectance factor (BRF) using experiment data shows good results. The relationship between snow surface albedo and snow specific surface area (SSA) were predicted, and this relationship can be used for future improvement of snow specific surface area (SSA) inversion algorithms. The model predicted polarized reflectance is validated and proved accurate, which can be further applied in polarized remote sensing. -- Highlights: • Bicontinuous random medium were used for real snow microstructure modeling. • Photon tracing technique with polarization status tracking ability was applied. • SSA–albedo relationship of snow is close to that of sphere based medium. • Validation of albedo and BRDF showed good results. • Validation of polarized reflectance showed good agreement with experiment data
Analysis of scattered radiation in an irradiated body by means of the monte carlo simulation
International Nuclear Information System (INIS)
Kato, Hideki; Nakamura, Masaru; Tsuiki, Saeko; Shimizu, Ikuo; Higashi, Naoki; Kamada, Takao
1992-01-01
Isodose charts for oblique incidence are simply obtained from normal isodose data of correcting methods such as the tissue-air ratio (TAR) method, the effective source-skin distance (SSD) method etc. Although, in these correcting methods, the depth dose data on the beam axis remained as the normal depth dose data, which were measured on the geometry of perpendicular incidence. In this paper, the primary and scattered dose on the beam axis for 60 Co gamma-ray oblique incidence were calculated by means of the Monthe Carlo simulation, and the variation of the percentage depth dose and scatter factor were evaluated for oblique incident angles. The scattered dose distribution was altered for change in the oblique incident angle. Also, for increasing the angle, percentage depth dose (PDD) was decreased and the scatter factor was increased. If the depth dose for oblique incidence was calculated using normal PDD data and normal scatter factors, the results become an underestimation of the shallow region up to several cm, and an overesitimation for the deep region. (author)
Niskanen, Johannes; Kooser, Kuno; Koskelo, Jaakko; Käämbre, Tanel; Kunnus, Kristjan; Pietzsch, Annette; Quevedo, Wilson; Hakala, Mikko; Föhlisch, Alexander; Huotari, Simo; Kukk, Edwin
2016-09-21
In this paper we report an experimental and computational study of liquid acetonitrile (H 3 C-C[triple bond, length as m-dash]N) by resonant inelastic X-ray scattering (RIXS) at the N K-edge. The experimental spectra exhibit clear signatures of the electronic structure of the valence states at the N site and incident-beam-polarization dependence is observed as well. Moreover, we find fine structure in the quasielastic line that is assigned to finite scattering duration and nuclear relaxation. We present a simple and light-to-evaluate model for the RIXS maps and analyze the experimental data using this model combined with ab initio molecular dynamics simulations. In addition to polarization-dependence and scattering-duration effects, we pinpoint the effects of different types of chemical bonding to the RIXS spectrum and conclude that the H 2 C-C[double bond, length as m-dash]NH isomer, suggested in the literature, does not exist in detectable quantities. We study solution effects on the scattering spectra with simulations in liquid and in vacuum. The presented model for RIXS proved to be light enough to allow phase-space-sampling and still accurate enough for identification of transition lines in physical chemistry research by RIXS.
Deterministic simulation of first-order scattering in virtual X-ray imaging
Energy Technology Data Exchange (ETDEWEB)
Freud, N. E-mail: nicolas.freud@insa-lyon.fr; Duvauchelle, P.; Pistrui-Maximean, S.A.; Letang, J.-M.; Babot, D
2004-07-01
A deterministic algorithm is proposed to compute the contribution of first-order Compton- and Rayleigh-scattered radiation in X-ray imaging. This algorithm has been implemented in a simulation code named virtual X-ray imaging. The physical models chosen to account for photon scattering are the well-known form factor and incoherent scattering function approximations, which are recalled in this paper and whose limits of validity are briefly discussed. The proposed algorithm, based on a voxel discretization of the inspected object, is presented in detail, as well as its results in simple configurations, which are shown to converge when the sampling steps are chosen sufficiently small. Simple criteria for choosing correct sampling steps (voxel and pixel size) are established. The order of magnitude of the computation time necessary to simulate first-order scattering images amounts to hours with a PC architecture and can even be decreased down to minutes, if only a profile is computed (along a linear detector). Finally, the results obtained with the proposed algorithm are compared to the ones given by the Monte Carlo code Geant4 and found to be in excellent accordance, which constitutes a validation of our algorithm. The advantages and drawbacks of the proposed deterministic method versus the Monte Carlo method are briefly discussed.
Quantum scattering theory of a single-photon Fock state in three-dimensional spaces.
Liu, Jingfeng; Zhou, Ming; Yu, Zongfu
2016-09-15
A quantum scattering theory is developed for Fock states scattered by two-level systems in three-dimensional free space. It is built upon the one-dimensional scattering theory developed in waveguide quantum electrodynamics. The theory fully quantizes the incident light as Fock states and uses a non-perturbative method to calculate the scattering matrix.
Energy Technology Data Exchange (ETDEWEB)
Garvey, G.T., E-mail: garvey@lanl.gov [Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, NM 87545 (United States); Harris, D.A., E-mail: dharris@fnal.gov [Fermi National Accelerator Laboratory, P.O. Box 500, Batavia, IL, 60510-5011 (United States); Tanaka, H.A., E-mail: tanaka@phas.ubc.ca [Institute of Particle Physics and Department of Physics and Astronomy, University of British Columbia, 6224 Agricultural Road, Vancouver, BC V6T 1Z1 (Canada); Tayloe, R., E-mail: rtayloe@indiana.edu [Department of Physics, Indiana University, 727 E. Third St., Bloomington, IN 47405-7105 (United States); Zeller, G.P., E-mail: gzeller@fnal.gov [Fermi National Accelerator Laboratory, P.O. Box 500, Batavia, IL, 60510-5011 (United States)
2015-06-15
The study of neutrino–nucleus interactions has recently seen rapid development with a new generation of accelerator-based neutrino experiments employing medium and heavy nuclear targets for the study of neutrino oscillations. A few unexpected results in the study of quasi-elastic scattering and single photon production have spurred a revisiting of the underlying nuclear physics and connections to electron–nucleus scattering. A thorough understanding and resolution of these issues is essential for future progress in the study of neutrino oscillations. A recent workshop hosted by the Institute of Nuclear Theory at the University of Washington (INT-13-54W) examined experimental and theoretical developments in neutrino–nucleus interactions and related measurements from electron and pion scattering. We summarize the discussions at the workshop pertaining to the aforementioned issues in quasi-elastic scattering and single photon production, particularly where there was consensus on the highest priority issues to be resolved and the path towards resolving them.
Single-site Green function of the Dirac equation for full-potential electron scattering
Energy Technology Data Exchange (ETDEWEB)
Kordt, Pascal
2012-05-30
I present an elaborated analytical examination of the Green function of an electron scattered at a single-site potential, for both the Schroedinger and the Dirac equation, followed by an efficient numerical solution, in both cases for potentials of arbitrary shape without an atomic sphere approximation. A numerically stable way to calculate the corresponding regular and irregular wave functions and the Green function is via the angular Lippmann-Schwinger integral equations. These are solved based on an expansion in Chebyshev polynomials and their recursion relations, allowing to rewrite the Lippmann-Schwinger equations into a system of algebraic linear equations. Gonzales et al. developed this method for the Schroedinger equation, where it gives a much higher accuracy compared to previous perturbation methods, with only modest increase in computational effort. In order to apply it to the Dirac equation, I developed relativistic Lippmann-Schwinger equations, based on a decomposition of the potential matrix into spin spherical harmonics, exploiting certain properties of this matrix. The resulting method was embedded into a Korringa-Kohn-Rostoker code for density functional calculations. As an example, the method is applied by calculating phase shifts and the Mott scattering of a tungsten impurity. (orig.)
Single-site Green function of the Dirac equation for full-potential electron scattering
International Nuclear Information System (INIS)
Kordt, Pascal
2012-01-01
I present an elaborated analytical examination of the Green function of an electron scattered at a single-site potential, for both the Schroedinger and the Dirac equation, followed by an efficient numerical solution, in both cases for potentials of arbitrary shape without an atomic sphere approximation. A numerically stable way to calculate the corresponding regular and irregular wave functions and the Green function is via the angular Lippmann-Schwinger integral equations. These are solved based on an expansion in Chebyshev polynomials and their recursion relations, allowing to rewrite the Lippmann-Schwinger equations into a system of algebraic linear equations. Gonzales et al. developed this method for the Schroedinger equation, where it gives a much higher accuracy compared to previous perturbation methods, with only modest increase in computational effort. In order to apply it to the Dirac equation, I developed relativistic Lippmann-Schwinger equations, based on a decomposition of the potential matrix into spin spherical harmonics, exploiting certain properties of this matrix. The resulting method was embedded into a Korringa-Kohn-Rostoker code for density functional calculations. As an example, the method is applied by calculating phase shifts and the Mott scattering of a tungsten impurity. (orig.)
Directory of Open Access Journals (Sweden)
Annepu Venkata Naga Vamsi
2016-01-01
Full Text Available We have reported the measurement of temperature by using coherent anti-Stroke and coherent Stroke Raman scattering using superconducting nano wire single-photon detector. The measured temperatures by both methods (Coherent Anti-Raman scattering & Coherent Stroke Raman scattering and TC 340 are in good accuracy of ± 5 K temperature range. The length of the pipe line under test can be increased by increasing the power of the pump laser. This methodology can be widely used to measure temperatures at instantaneous positions in test pipe line or the entire temperature of the pipe line under test.
International Nuclear Information System (INIS)
Grigor'ev, A.N.; Dikij, N.P.; Matyash, P.P.; Nikolajchuk, L.I.; Pivovar, L.I.
1974-01-01
The radiation defects in semiconducting CdS single crystals induced during doping with 140 keV Na ions (10 15 -2.10 16 ion/cm 2 ) were studied by the orientation dependence of 700 keV proton backscattering. The absence of discrete peaks in the scattered proton eneryg spectra indicates a small contribution of direct scattering at large angles. The defects formed during doping increase the fractionof dechanneled particles, which are then scattered at large anlges. No amorphization of CdS was observed at high Na ion dose 2x10 16 ion/cm 2
International Nuclear Information System (INIS)
Marinyuk, V V; Sheberstov, S V
2017-01-01
We calculate the total transmission coefficient (transmittance) of a disordered medium with large (compared to the light wavelength) inhomogeneities. To model highly forward scattering in the medium we take advantage of the Gegenbauer kernel phase function. In a subdiffusion thickness range, the transmittance is shown to be sensitive to the specific form of the single-scattering phase function. The effect reveals itself at grazing angles of incidence and originates from small-angle multiple scattering of light. Our results are in a good agreement with numerical solutions to the radiative transfer equation. (paper)
Dynamics of crystalline acetanilide: Analysis using neutron scattering and computer simulation
Hayward, R. L.; Middendorf, H. D.; Wanderlingh, U.; Smith, J. C.
1995-04-01
The unusual temperature dependence of several optical spectroscopic vibrational bands in crystalline acetanilide has been interpreted as providing evidence for dynamic localization. Here we examine the vibrational dynamics of crystalline acetanilide over a spectral range of ˜20-4000 cm-1 using incoherent neutron scattering experiments, phonon normal mode calculations and molecular dynamics simulations. A molecular mechanics energy function is parametrized and used to perform the normal mode analyses in the full configurational space of the crystal i.e., including the intramolecular and intermolecular degrees of freedom. One- and multiphonon incoherent inelastic neutron scattering intensities are calculated from harmonic analyses in the first Brillouin zone and compared with the experimental data presented here. Phonon dispersion relations and mean-square atomic displacements are derived from the harmonic model and compared with data derived from coherent inelastic neutron scattering and neutron and x-ray diffraction. To examine the temperature effects on the vibrations the full, anharmonic potential function is used in molecular dynamics simulations of the crystal at 80, 140, and 300 K. Several, but not all, of the spectral features calculated from the molecular dynamics simulations exhibit temperature-dependent behavior in agreement with experiment. The significance of the results for the interpretation of the optical spectroscopic results and possible improvements to the model are discussed.
Valdés, Felipe
2013-03-01
Single-source time-domain electric-and magnetic-field integral equations for analyzing scattering from homogeneous penetrable objects are presented. Their temporal discretization is effected by using shifted piecewise polynomial temporal basis functions and a collocation testing procedure, thus allowing for a marching-on-in-time (MOT) solution scheme. Unlike dual-source formulations, single-source equations involve space-time domain operator products, for which spatial discretization techniques developed for standalone operators do not apply. Here, the spatial discretization of the single-source time-domain integral equations is achieved by using the high-order divergence-conforming basis functions developed by Graglia alongside the high-order divergence-and quasi curl-conforming (DQCC) basis functions of Valdés The combination of these two sets allows for a well-conditioned mapping from div-to curl-conforming function spaces that fully respects the space-mapping properties of the space-time operators involved. Numerical results corroborate the fact that the proposed procedure guarantees accuracy and stability of the MOT scheme. © 2012 IEEE.
Proton resonance elastic scattering of $^{30}$Mg for single particle structure of $^{31}$Mg
The single particle structure of $^{31}$Mg, which is located in the so-called “island of inversion”, will be studied through measuring Isobaric Analog Resonances (IARs) of bound states of $^{31}$Mg. They are located in the high excitation energy of $^{31}$Al. We are going to determine the spectroscopic factors and angular momenta of the parent states by measuring the excitation function of the proton resonance elastic scattering around 0 degrees in the laboratory frame with around 3 MeV/nucleon $^{30}$Mg beam. The present study will reveal the shell evolution around $^{32}$Mg. In addition, the spectroscopic factor of the (7/2)$^{−}$ state which was not yet determined experimentally, may allow one to study the shape coexistence in this nucleus.
Surface-enhanced resonance Raman scattering spectroscopy of single R6G molecules
Institute of Scientific and Technical Information of China (English)
Zhou Zeng-Hui; Liu Li; Wang Gui-Ying; Xu Zhi-Zhan
2006-01-01
Surface-enhanced resonance Raman scattering (SERRS) of Rhodamine 6G (R6G) adsorbed on colloidal silver clusters has been studied. Based on the great enhancement of the Raman signal and the quench of the fluorescence, the SERRS spectra of R6G were recorded for the samples of dye colloidal solution with different concentrations. Spectral inhomogeneity behaviours from single molecules in the dried sample films were observed with complementary evidences, such as spectral polarization, spectral diffusion, intensity fluctuation of vibrational lines and even "breathing" of the molecules. Sequential spectra observed from a liquid sample with an average of 0.3 dye molecules in the probed volume exhibited the expected Poisson distribution for actually measuring 0, 1 or 2 molecules. Difference between the SERRS spectra of R6G excited by linearly and circularly polarized light were experimentally measured.
Soles, Christopher; Peng, Hua-Gen; Page, Kirt; Snyder, Chad; Pandy, Ashoutosh; Jeong, Youmi; Runt, James; NIST Collaboration; Pennsylvania Collaboration
2011-03-01
The application of solid polymer electrolytes in rechargeable batteries has not been fully realized after decades of research due to its low conductivity. Dramatic increases of the ion conductivity are needed and this progress requires the understanding of conduction mechanism. We address this topic in two fronts, namely, the effect of plasticizer additives and geometric confinement on the charge transfer mechanism. To this end, we combine broadband dielectric spectroscopy (BDS) to characterize the ion mobility and quasi-elastic neutron scattering (QENS) to quantify segmental motion on a single-ion model polymer electrolyte. Deuterated small molecules were used as plasticizers so that the segmental motion of the polymer electrolyte could be monitored by QENS to understand the mechanism behind the increased conductivity. Anodic aluminum oxide (AAO) membranes with well defined channel sizes are used as the matrix to study the transport of ions solvated in a 1D polymer electrolyte.
International Nuclear Information System (INIS)
Yasumasa, Joti; Nobuhiro, Go; Akio, Kitao; Nobuhiro, Go
2003-01-01
Inelastic and quasielastic neutron scattering gives the information on the dynamics of biological macromolecules. The combination of computer simulation with neutron scattering experiments allows us to characterize a wide range of dynamical phenomena in condensed phase bio-molecular systems. In this work, the dynamic structure factors in (Q,ω)-space were calculated by using the results of bio-molecular simulations. From the simulated inelastic neutron scattering spectra, we discuss the (Q,ω)-range and the resolution of a detector needed to observe function-related protein dynamics. (authors)
Monte Carlo simulated dynamical magnetization of single-chain magnets
Energy Technology Data Exchange (ETDEWEB)
Li, Jun; Liu, Bang-Gui, E-mail: bgliu@iphy.ac.cn
2015-03-15
Here, a dynamical Monte-Carlo (DMC) method is used to study temperature-dependent dynamical magnetization of famous Mn{sub 2}Ni system as typical example of single-chain magnets with strong magnetic anisotropy. Simulated magnetization curves are in good agreement with experimental results under typical temperatures and sweeping rates, and simulated coercive fields as functions of temperature are also consistent with experimental curves. Further analysis indicates that the magnetization reversal is determined by both thermal-activated effects and quantum spin tunnelings. These can help explore basic properties and applications of such important magnetic systems. - Highlights: • Monte Carlo simulated magnetization curves are in good agreement with experimental results. • Simulated coercive fields as functions of temperature are consistent with experimental results. • The magnetization reversal is understood in terms of the Monte Carlo simulations.
International Nuclear Information System (INIS)
Jin, Y.; Verghese, K.; Gardner, R.P.
1986-01-01
This paper describes a major part of our efforts to simulate the entire spectral response of the neutron capture prompt gamma-ray analyzer for bulk media (or conveyor belt) samples by the Monte Carlo method. This would allow one to use such a model to augment or, in most cases, essentially replace experiments in the calibration and optimum design of these analyzers. In previous work, we simulated the unscattered gamma-ray intensities, but would like to simulate the entire spectral response as we did with the energy-dispersive x-ray fluorescence analyzers. To accomplish this, one must account for the scattered gamma rays as well as the unscattered and one must have available the detector response function to translate the incident gamma-ray spectrum calculated by the Monte Carlo simulation into the detected pulse-height spectrum. We recently completed our work on the germanium detector response function, and the present paper describes our efforts to simulate the entire spectral response by using it with Monte Carlo predicted unscattered and scattered gamma rays
Hartling, K.; Ciungu, B.; Li, G.; Bentoumi, G.; Sur, B.
2018-05-01
Monte Carlo codes such as MCNP and Geant4 rely on a combination of physics models and evaluated nuclear data files (ENDF) to simulate the transport of neutrons through various materials and geometries. The grid representation used to represent the final-state scattering energies and angles associated with neutron scattering interactions can significantly affect the predictions of these codes. In particular, the default thermal scattering libraries used by MCNP6.1 and Geant4.10.3 do not accurately reproduce the ENDF/B-VII.1 model in simulations of the double-differential cross section for thermal neutrons interacting with hydrogen nuclei in a thin layer of water. However, agreement between model and simulation can be achieved within the statistical error by re-processing ENDF/B-VII.I thermal scattering libraries with the NJOY code. The structure of the thermal scattering libraries and sampling algorithms in MCNP and Geant4 are also reviewed.
DEFF Research Database (Denmark)
Sivaramakrishnan, S.; Sung, J.; Ali, M.
2009-01-01
as a force transducer, rigid spacer, or flexible linker in proteins. In this study, we quantity this flexibility in terms of persistence length, namely the length scale over which it is rigid. We use single-molecule optical trapping and small-angle x-ray scattering, combined with Monte Carlo simulations...
Qvist, Johan; Schober, Helmut; Halle, Bertil
2011-04-14
One of the outstanding challenges presented by liquid water is to understand how molecules can move on a picosecond time scale despite being incorporated in a three-dimensional network of relatively strong H-bonds. This challenge is exacerbated in the supercooled state, where the dramatic slowing down of structural dynamics is reminiscent of the, equally poorly understood, generic behavior of liquids near the glass transition temperature. By probing single-molecule dynamics on a wide range of time and length scales, quasielastic neutron scattering (QENS) can potentially reveal the mechanistic details of water's structural dynamics, but because of interpretational ambiguities this potential has not been fully realized. To resolve these issues, we present here an extensive set of high-quality QENS data from water in the range 253-293 K and a corresponding set of molecular dynamics (MD) simulations to facilitate and validate the interpretation. Using a model-free approach, we analyze the QENS data in terms of two motional components. Based on the dynamical clustering observed in MD trajectories, we identify these components with two distinct types of structural dynamics: picosecond local (L) structural fluctuations within dynamical basins and slower interbasin jumps (J). The Q-dependence of the dominant QENS component, associated with J dynamics, can be quantitatively rationalized with a continuous-time random walk (CTRW) model with an apparent jump length that depends on low-order moments of the jump length and waiting time distributions. Using a simple coarse-graining algorithm to quantitatively identify dynamical basins, we map the newtonian MD trajectory on a CTRW trajectory, from which the jump length and waiting time distributions are computed. The jump length distribution is gaussian and the rms jump length increases from 1.5 to 1.9 Å as the temperature increases from 253 to 293 K. The rms basin radius increases from 0.71 to 0.75 Å over the same range. The
International Nuclear Information System (INIS)
Rosenberg, L.; Spruch, L.
1996-01-01
Levinson close-quote s theorem relates the zero-energy phase shift δ for potential scattering in a given partial wave l, by a spherically symmetric potential that falls off sufficiently rapidly, to the number of bound states of that l supported by the potential. An extension of this theorem is presented that applies to single-channel scattering by a compound system initially in its ground state. As suggested by Swan [Proc. R. Soc. London Ser. A 228, 10 (1955)], the extended theorem differs from that derived for potential scattering; even in the absence of composite bound states δ may differ from zero as a consequence of the Pauli principle. The derivation given here is based on the introduction of a continuous auxiliary open-quote open-quote length phase close-quote close-quote η, defined modulo π for l=0 by expressing the scattering length as A=acotη, where a is a characteristic length of the target. Application of the minimum principle for the scattering length determines the branch of the cotangent curve on which η lies and, by relating η to δ, an absolute determination of δ is made. The theorem is applicable, in principle, to single-channel scattering in any partial wave for e ± -atom and nucleon-nucleus systems. In addition to a knowledge of the number of composite bound states, information (which can be rather incomplete) concerning the structure of the target ground-state wave function is required for an explicit, absolute, determination of the phase shift δ. As for Levinson close-quote s original theorem for potential scattering, no additional information concerning the scattering wave function or scattering dynamics is required. copyright 1996 The American Physical Society
Di Biagio, C.; Formenti, P.; Caponi, L.; Cazaunau, M.; Pangui, E.; Journet, E.; Nowak, S.; Caquineau, S.; Andreae, M. O.; Kandler, K.; Saeed, T.; Piketh, S.; Seibert, D.; Williams, E.; Balkanski, Y.; Doussin, J. F.
2017-12-01
Mineral dust is one of the most abundant aerosol species in the atmosphere and strongly contributes to the global and regional direct radiative effect. Still large uncertainties persist on the magnitude and overall sign of the dust direct effect, where indeed one of the main unknowns is how much mineral dust absorbs light in the shortwave (SW) spectral range. Aerosol absorption is represented both by the imaginary part (k) of the complex refractive index or the single scattering albedo (SSA, i.e. the ratio of the scattering to extinction coefficient). In this study we present a new dataset of SW complex refractive indices and SSA for mineral dust aerosols obtained from in situ measurements in the 4.2 m3 CESAM simulation chamber at LISA (Laboratoire Interuniversitaire des Systemes Atmospheriques) in Créteil, France. Investigated dust aerosol samples were issued from major desert sources worldwide, including the African Sahara and Sahel, Eastern Asia, the Middle East, Southern Africa, Australia, and the Americas, with differing iron oxides content. Results from the present study provide a regional mapping of the SW absorption by dust and show that the imaginary part of the refractive index largely varies (by up to a factor 6, 0.003-0.02 at 370 nm and 0.001-0.003 at 950 nm) for the different source areas due to the change in the particle iron oxide content. The SSA for dust varies between 0.75-0.90 at 370 nm and 0.95-0.99 at 950 nm, with the largest absorption observed for Sahelian and Australian dust aerosols. Our range of variability for k and SSA is well bracketed by already published literature estimates, but suggests that regional‒dependent values should be used in models. The possible relationship between k and the dust iron oxides content is investigated with the aim of providing a parameterization of the regional‒dependent dust absorption to include in climate models.
Simulation of single grid-based phase-contrast x-ray imaging (g-PCXI)
Energy Technology Data Exchange (ETDEWEB)
Lim, H.W.; Lee, H.W. [Department of Radiation Convergence Engineering, iTOMO Group, Yonsei University, 1 Yonseidae-gil, Wonju, Gangwon-do 26493 (Korea, Republic of); Cho, H.S., E-mail: hscho1@yonsei.ac.kr [Department of Radiation Convergence Engineering, iTOMO Group, Yonsei University, 1 Yonseidae-gil, Wonju, Gangwon-do 26493 (Korea, Republic of); Je, U.K.; Park, C.K.; Kim, K.S.; Kim, G.A.; Park, S.Y.; Lee, D.Y.; Park, Y.O.; Woo, T.H. [Department of Radiation Convergence Engineering, iTOMO Group, Yonsei University, 1 Yonseidae-gil, Wonju, Gangwon-do 26493 (Korea, Republic of); Lee, S.H.; Chung, W.H.; Kim, J.W.; Kim, J.G. [R& D Center, JPI Healthcare Co., Ltd., Ansan 425-833 (Korea, Republic of)
2017-04-01
Single grid-based phase-contrast x-ray imaging (g-PCXI) technique, which was recently proposed by Wen et al. to retrieve absorption, scattering, and phase-gradient images from the raw image of the examined object, seems a practical method for phase-contrast imaging with great simplicity and minimal requirements on the setup alignment. In this work, we developed a useful simulation platform for g-PCXI and performed a simulation to demonstrate its viability. We also established a table-top setup for g-PCXI which consists of a focused-linear grid (200-lines/in strip density), an x-ray tube (100-μm focal spot size), and a flat-panel detector (48-μm pixel size) and performed a preliminary experiment with some samples to show the performance of the simulation platform. We successfully obtained phase-contrast x-ray images of much enhanced contrast from both the simulation and experiment and the simulated contract seemed similar to the experimental contrast, which shows the performance of the developed simulation platform. We expect that the simulation platform will be useful for designing an optimal g-PCXI system. - Highlights: • It is proposed for the single grid-based phase-contrast x-ray imaging (g-PCXI) technique. • We implemented for a numerical simulation code. • The preliminary experiment with several samples to compare is performed. • It is expected to be useful to design an optimal g-PCXI system.
Design of single-longitudinal-mode laser oscillator for edge Thomson scattering system in ITER
International Nuclear Information System (INIS)
Hatae, Takaki; Kusama, Yoshinori; Kubomura, Hiroyuki; Matsuoka, Shin-ichi
2006-06-01
A high output energy (5J) and high repetition rate (100 Hz) laser system is required for the edge Thomson scattering system in ITER. A YAG laser (Nd:YAG laser) is a first candidate for the laser system satisfying the requirements. It is important to develop a high beam quality and single longitudinal mode (SLM) laser oscillator in order to realize this high power laser system. In this design work, following activities relating to the SLM laser oscillator have been carried out: design of the laser head and the resonator, estimation of the output power for the SLM laser oscillator, consideration of the feedback control scheme and consideration of interface for amplification system to achieve required performance (5J, 100 Hz). It is expected that the designed laser diode (LD) pumped SLM laser oscillator realizes: 100 Hz of repetition rate, 10 mJ of output energy, 10 ns of pulse width, single longitudinal mode, TEM 00 of transversal mode, divergence less than 4 times of the diffraction limit, energy stability within 5%. (author)
Dual aerosol detector based on forward light scattering with a single laser beam
International Nuclear Information System (INIS)
Kovach, B.J.; Custer, R.A.; Powers, F.L.; Kovach, A.
1985-01-01
The in-place leak testing of HEPA filter banks using a single detector can lead to some error in the measurement due to the fluctuation of the aerosol concentration while the single detector is being switched from the upstream to downstream sampling. The time duration of the test also can cause unnecessarily high DOP loading of the HEPA filters and in some cases higher radiation exposure to the testing personnel. The new forward light scattering detector uses one 632.8 nm laser beam for aerosol detection in a dual chamber sampling and detecting aerosol concentration simultaneously both upstream and downstream. This manner of operation eliminates the errors caused by concentration variations between upstream and downstream sample points while the switching takes place. The new detector uses large area silicone photodiodes with a hole in the center, to permit uninterrupted passage of the laser beam through the downstream sample chamber. The nonlinearity due to the aerosol over population of the laser beam volume is calculated to be less than 1% using a Poisson distribution method to determine the average distance of the particles. A simple pneumatic system prevents mixing of the upstream and downstream samples even in wide pressure variations of the duct system
Numerical simulations of seepage flow in rough single rock fractures
Directory of Open Access Journals (Sweden)
Qingang Zhang
2015-09-01
Full Text Available To investigate the relationship between the structural characteristics and seepage flow behavior of rough single rock fractures, a set of single fracture physical models were produced using the Weierstrass–Mandelbrot functions to test the seepage flow performance. Six single fractures, with various surface roughnesses characterized by fractal dimensions, were built using COMSOL multiphysics software. The fluid flow behavior through the rough fractures and the influences of the rough surfaces on the fluid flow behavior was then monitored. The numerical simulation indicates that there is a linear relationship between the average flow velocity over the entire flow path and the fractal dimension of the rough surface. It is shown that there is good a agreement between the numerical results and the experimental data in terms of the properties of the fluid flowing through the rough single rock fractures.
International Nuclear Information System (INIS)
Blevin, H.A.; Fletcher, J.; Hunter, S.R.
1978-05-01
In a recent paper, a Monte-Carlo simulation of electron swarms in hydrogen using an isotropic scattering model was reported. In this previous work discrepancies between the predicted and measured electron transport parameters were observed. In this paper a far more realistic anisotropic scattering model is used. Good agreement between predicted and experimental data is observed and the simulation code has been used to calculate various parameters which are not directly measurable
International Nuclear Information System (INIS)
Huang Yong; Liang Xingang; Xia Xinlin
2005-01-01
The Monte Carlo method is used to simulate the thermal emission of absorbing-emitting-scattering slab with gradient index. Three Monte Carlo ray-tracing strategies are considered. The first strategy is keeping the real distribution of the refractive index and to trace bundles in a curve route. The second strategy is discretizing the slab into sub-layers, each having constant refractive index. The bundle is traced in a straight route in each sub-layer and the reflection at the inner interface is taken into account. The third strategy is similar to the second one but only the total reflection at the inner interface is computed. Little difference is observed among the results of apparent thermal emission by these three different Monte Carlo ray tracing strategies. The results also show that the apparent hemispherical emissivity non-monotonously varies with increasing optical thickness of the slab with strong scattering gradient index. Many parameters can influence the apparent thermal emission greatly
A New Code SORD for Simulation of Polarized Light Scattering in the Earth Atmosphere
Korkin, Sergey; Lyapustin, Alexei; Sinyuk, Aliaksandr; Holben, Brent
2016-01-01
We report a new publicly available radiative transfer (RT) code for numerical simulation of polarized light scattering in plane-parallel atmosphere of the Earth. Using 44 benchmark tests, we prove high accuracy of the new RT code, SORD (Successive ORDers of scattering). We describe capabilities of SORD and show run time for each test on two different machines. At present, SORD is supposed to work as part of the Aerosol Robotic NETwork (AERONET) inversion algorithm. For natural integration with the AERONET software, SORD is coded in Fortran 90/95. The code is available by email request from the corresponding (first) author or from ftp://climate1.gsfc.nasa.gov/skorkin/SORD/.
IB: A Monte Carlo simulation tool for neutron scattering instrument design under PVM and MPI
International Nuclear Information System (INIS)
Zhao Jinkui
2011-01-01
Design of modern neutron scattering instruments relies heavily on Monte Carlo simulation tools for optimization. IB is one such tool written in C++ and implemented under Parallel Virtual Machine and the Message Passing Interface. The program was initially written for the design and optimization of the EQ-SANS instrument at the Spallation Neutron Source. One of its features is the ability to group simple instrument components into more complex ones at the user input level, e.g. grouping neutron mirrors into neutron guides and curved benders. The simulation engine manages the grouped components such that neutrons entering a group are properly operated upon by all components, multiple times if needed, before exiting the group. Thus, only a few basic optical modules are needed at the programming level. For simulations that require higher computer speeds, the program can be compiled and run in parallel modes using either the PVM or the MPI architectures.
OSL sensitivity changes during single aliquot procedures: Computer simulations
DEFF Research Database (Denmark)
McKeever, S.W.S.; Agersnap Larsen, N.; Bøtter-Jensen, L.
1997-01-01
We present computer simulations of sensitivity changes obtained during single aliquot, regeneration procedures. The simulations indicate that the sensitivity changes are the combined result of shallow trap and deep trap effects. Four separate processes have been identified. Although procedures can...... be suggested to eliminate the shallow trap effects, it appears that the deep trap effects cannot be removed. The character of the sensitivity changes which result from these effects is seen to be dependent upon several external parameters, including the extent of bleaching of the OSL signal, the laboratory...
Device simulation of charge collection and single-event upset
International Nuclear Information System (INIS)
Dodd, P.E.
1996-01-01
In this paper the author reviews the current status of device simulation of ionizing-radiation-induced charge collection and single-event upset (SEU), with an emphasis on significant results of recent years. The author presents an overview of device-modeling techniques applicable to the SEU problem and the unique challenges this task presents to the device modeler. He examines unloaded simulations of radiation-induced charge collection in simple p/n diodes, SEU in dynamic random access memories (DRAM's), and SEU in static random access memories (SRAM's). The author concludes with a few thoughts on future issues likely to confront the SEU device modeler
Dhindsa, Gurpreet K.
Neutron scattering has been proved to be a powerful tool to study the dynamics of biological systems under various conditions. This thesis intends to utilize neutron scattering techniques, combining with MD simulations, to develop fundamental understanding of several biologically interesting systems. Our systems include a drug delivery system containing Nanodiamonds with nucleic acid (RNA), and two specific model proteins, beta-Casein and Inorganic Pyrophosphatase (IPPase). RNA and nanodiamond (ND) both are suitable for drug-delivery applications in nano-biotechnology. The architecturally flexible RNA with catalytic functionality forms nanocomposites that can treat life-threatening diseases. The non-toxic ND has excellent mechanical and optical properties and functionalizable high surface area, and thus actively considered for biomedical applications. In this thesis, we utilized two tools, quasielastic neutron scattering (QENS) and Molecular Dynamics Simulations to probe the effect of ND on RNA dynamics. Our work provides fundamental understanding of how hydrated RNA motions are affected in the RNA-ND nanocomposites. From the experimental and Molecular Dynamics Simulation (MD), we found that hydrated RNA motion is faster on ND surface than a freestanding one. MD Simulation results showed that the failure of Stokes Einstein relation results the presence of dynamic heterogeneities in the biomacromolecules. Radial pair distribution function from MD Simulation confirmed that the hydrophilic nature of ND attracts more water than RNA results the de-confinement of RNA on ND. Therefore, RNA exhibits faster motion in the presence of ND than freestanding RNA. In the second project, we studied the dynamics of a natively disordered protein beta-Casein which lacks secondary structures. In this study, the temperature and hydration effects on the dynamics of beta-Casein are explored by Quasielastic Neutron Scattering (QENS). We investigated the mean square displacement (MSD) of
Markov chain analysis of single spin flip Ising simulations
International Nuclear Information System (INIS)
Hennecke, M.
1997-01-01
The Markov processes defined by random and loop-based schemes for single spin flip attempts in Monte Carlo simulations of the 2D Ising model are investigated, by explicitly constructing their transition matrices. Their analysis reveals that loops over all lattice sites using a Metropolis-type single spin flip probability often do not define ergodic Markov chains, and have distorted dynamical properties even if they are ergodic. The transition matrices also enable a comparison of the dynamics of random versus loop spin selection and Glauber versus Metropolis probabilities
Directory of Open Access Journals (Sweden)
T. D. Borisova
2002-09-01
Full Text Available Comparisons between bistatic scatter measurements and simulation results during the Tromsø HF pumping experiment on 16 February 1996 are made. Doppler measurements of an HF diagnostic signal scattered from the field-aligned irregularities (FAIs in the auroral E-region were carried out on the London – Tromsø – St. Petersburg path at 9410 kHz from 21:00 to 22:00 UT. The scattered signals were observed both from natural and artificial ionospheric irregularities located in the vicinity of Tromsø. To simulate the Doppler frequency shifts, fd , of scattered signals, a radio channel model, named CONE, was developed. The model allows for ray tracing, group and phase paths, and Doppler frequency shift calculations. The calculated Doppler shifts were analyzed for dependence on the magnitude and direction of plasma velocities in the scattering volume. It was found that the velocity components in the north-south direction are crucial for explaining the Doppler frequency shifts of the scattered diagnostic signals. To simulate fd , real velocities obtained from the EISCAT UHF radar at an altitude of 278 km and from the digital all-sky imager during the experiment were employed. The simulation results of Doppler frequency shift variations with time are in reasonable agreement with the experimental Doppler shifts of scattered signals on the London – Tromsø – St. Petersburg path.Key words. Ionosphere (active experiments; ionospheric irregularities Radio science (ionospheric propagation
TH-A-18C-04: Ultrafast Cone-Beam CT Scatter Correction with GPU-Based Monte Carlo Simulation
Energy Technology Data Exchange (ETDEWEB)
Xu, Y [UT Southwestern Medical Center, Dallas, TX (United States); Southern Medical University, Guangzhou (China); Bai, T [UT Southwestern Medical Center, Dallas, TX (United States); Xi' an Jiaotong University, Xi' an (China); Yan, H; Ouyang, L; Wang, J; Pompos, A; Jiang, S; Jia, X [UT Southwestern Medical Center, Dallas, TX (United States); Zhou, L [Southern Medical University, Guangzhou (China)
2014-06-15
Purpose: Scatter artifacts severely degrade image quality of cone-beam CT (CBCT). We present an ultrafast scatter correction framework by using GPU-based Monte Carlo (MC) simulation and prior patient CT image, aiming at automatically finish the whole process including both scatter correction and reconstructions within 30 seconds. Methods: The method consists of six steps: 1) FDK reconstruction using raw projection data; 2) Rigid Registration of planning CT to the FDK results; 3) MC scatter calculation at sparse view angles using the planning CT; 4) Interpolation of the calculated scatter signals to other angles; 5) Removal of scatter from the raw projections; 6) FDK reconstruction using the scatter-corrected projections. In addition to using GPU to accelerate MC photon simulations, we also use a small number of photons and a down-sampled CT image in simulation to further reduce computation time. A novel denoising algorithm is used to eliminate MC scatter noise caused by low photon numbers. The method is validated on head-and-neck cases with simulated and clinical data. Results: We have studied impacts of photo histories, volume down sampling factors on the accuracy of scatter estimation. The Fourier analysis was conducted to show that scatter images calculated at 31 angles are sufficient to restore those at all angles with <0.1% error. For the simulated case with a resolution of 512×512×100, we simulated 10M photons per angle. The total computation time is 23.77 seconds on a Nvidia GTX Titan GPU. The scatter-induced shading/cupping artifacts are substantially reduced, and the average HU error of a region-of-interest is reduced from 75.9 to 19.0 HU. Similar results were found for a real patient case. Conclusion: A practical ultrafast MC-based CBCT scatter correction scheme is developed. The whole process of scatter correction and reconstruction is accomplished within 30 seconds. This study is supported in part by NIH (1R01CA154747-01), The Core Technology Research
Mullen, van der J.J.A.M.; Sande, van de M.J.; Vries, de N.; Broks, B.H.P.; Iordanova, E.I.; Gamero, A.; Torres, J.; Sola, A.
2007-01-01
To determine the fine-structure size of plasmas created by a Microwave Plasma Torch (MPT), single-shot Thomson scattering (TS) measurements were performed. The aim was to find a solution for the long-standing discrepancy between experiments and Global Plasma Models (GPMs). Since these GPMs are based
Single realization stochastic FDTD for weak scattering waves in biological random media.
Tan, Tengmeng; Taflove, Allen; Backman, Vadim
2013-02-01
This paper introduces an iterative scheme to overcome the unresolved issues presented in S-FDTD (stochastic finite-difference time-domain) for obtaining ensemble average field values recently reported by Smith and Furse in an attempt to replace the brute force multiple-realization also known as Monte-Carlo approach with a single-realization scheme. Our formulation is particularly useful for studying light interactions with biological cells and tissues having sub-wavelength scale features. Numerical results demonstrate that such a small scale variation can be effectively modeled with a random medium problem which when simulated with the proposed S-FDTD indeed produces a very accurate result.
International Nuclear Information System (INIS)
Esmaeili-sani, Vahid; Moussavi-zarandi, Ali; Boghrati, Behzad; Afarideh, Hossein
2012-01-01
Geophysical bore-hole data represent the physical properties of rocks, such as density and formation lithology, as a function of depth in a well. Properties of rocks are obtained from gamma ray transport logs. Transport of gamma rays, from a 137 Cs point gamma source situated in a bore-hole tool, through rock media to detectors, has been simulated using a GEANT4 radiation transport code. The advanced Compton scattering concepts were used to gain better analyses about well formation. The simulation and understanding of advanced Compton scattering highly depends on how accurately the effects of Doppler broadening and Rayleigh scattering are taken into account. A Monte Carlo package that simulates the gamma-gamma well logging tools based on GEANT4 advanced low energy Compton scattering (GALECS).
Energy Technology Data Exchange (ETDEWEB)
Esmaeili-sani, Vahid, E-mail: vaheed_esmaeely80@yahoo.com [Department of Nuclear Engineering and Physics, Amirkabir University of Technology, P.O. Box 4155-4494, Tehran (Iran, Islamic Republic of); Moussavi-zarandi, Ali; Boghrati, Behzad; Afarideh, Hossein [Department of Nuclear Engineering and Physics, Amirkabir University of Technology, P.O. Box 4155-4494, Tehran (Iran, Islamic Republic of)
2012-02-01
Geophysical bore-hole data represent the physical properties of rocks, such as density and formation lithology, as a function of depth in a well. Properties of rocks are obtained from gamma ray transport logs. Transport of gamma rays, from a {sup 137}Cs point gamma source situated in a bore-hole tool, through rock media to detectors, has been simulated using a GEANT4 radiation transport code. The advanced Compton scattering concepts were used to gain better analyses about well formation. The simulation and understanding of advanced Compton scattering highly depends on how accurately the effects of Doppler broadening and Rayleigh scattering are taken into account. A Monte Carlo package that simulates the gamma-gamma well logging tools based on GEANT4 advanced low energy Compton scattering (GALECS).
Simulation study on cross polarization scattering of ultrashort-pulse electromagnetic waves
International Nuclear Information System (INIS)
Katsuragawa, Naoki; Hojo, Hitoshi; Mase, Atushi
1996-11-01
Simulation study on cross polarization scattering of ultrashort-pulse electromagnetic waves due to magnetic fluctuations is presented. One-dimensional coupled wave equations for the ordinary and extraordinary modes are solved for incident unipolar sub-cycle pulses in an inhomogeneous magnetized plasma. It is shown that the peak frequencies in the frequency-spectral signals of the mode-converted reflected waves are determined from the Bragg resonance condition in the wave numbers of the ordinary mode, the extraordinary mode and the magnetic fluctuations for relatively short-wavelength localized magnetic fluctuations. (author)
XPS and ion beam scattering studies of leaching in simulated waste glass containing uranium
International Nuclear Information System (INIS)
Karim, D.P.; Pronko, P.P.; Marcuso, T.L.M.; Lam, D.J.; Paulikas, A.P.
1980-01-01
Glass samples (consisting of 2 mole % UO 3 dissolved in a number of complex borosilicate simulated waste glasses including Battelle 76-68) were leached for varying times in distilled water at 75 0 C. The glass surfaces were examined before and after leaching using x-ray photoemission spectroscopy and back-scattered ion beam profiling. Leached samples showed enhanced surface layer concentrations of several elements including uranium, titanium, zinc, iron and rare earths. An experiment involving the leaching of two glasses in the same vessel showed that the uranium surface enhancement is probably not due to redeposition from solution
Trapped-Particle Instability Leading to Bursting in Stimulated Raman Scattering Simulations
International Nuclear Information System (INIS)
Brunner, S.; Valeo, E.
2001-01-01
Nonlinear, kinetic simulations of Stimulated Raman Scattering (SRS) for laser-fusion-relevant conditions present a bursting behavior. Different explanations for this regime has been given in previous studies: Saturation of SRS by increased nonlinear Landau damping [K. Estabrook et al., Phys. Fluids B 1 (1989) 1282] and detuning due to the nonlinear frequency shift of the plasma wave [H.X. Vu et al., Phys. Rev. Lett. 86 (2001) 4306]. Another mechanism, also assigning a key role to the trapped electrons, is proposed here: The break-up of the plasma wave through the trapped-particle instability
LIGHT SOURCE: A simulation study of Tsinghua Thomson scattering X-ray source
Tang, Chuan-Xiang; Li, Ren-Kai; Huang, Wen-Hui; Chen, Huai-Bi; Du, Ying-Chao; Du, Qiang; Du, Tai-Bin; He, Xiao-Zhong; Hua, Jian-Fei; Lin, Yu-Zhen; Qian, Hou-Jun; Shi, Jia-Ru; Xiang, Dao; Yan, Li-Xin; Yu, Pei-Cheng
2009-06-01
Thomson scattering X-ray sources are compact and affordable facilities that produce short duration, high brightness X-ray pulses enabling new experimental capacities in ultra-fast science studies, and also medical and industrial applications. Such a facility has been built at the Accelerator Laboratory of Tsinghua University, and upgrade is in progress. In this paper, we present a proposed layout of the upgrade with design parameters by simulation, aiming at high X-ray pulses flux and brightness, and also enabling advanced dynamics studies and applications of the electron beam. Design and construction status of main subsystems are also presented.
Simulation of small-angle scattering patterns using a CPU-efficient algorithm
Anitas, E. M.
2017-12-01
Small-angle scattering (of neutrons, x-ray or light; SAS) is a well-established experimental technique for structural analysis of disordered systems at nano and micro scales. For complex systems, such as super-molecular assemblies or protein molecules, analytic solutions of SAS intensity are generally not available. Thus, a frequent approach to simulate the corresponding patterns is to use a CPU-efficient version of the Debye formula. For this purpose, in this paper we implement the well-known DALAI algorithm in Mathematica software. We present calculations for a series of 2D Sierpinski gaskets and respectively of pentaflakes, obtained from chaos game representation.
Simulation and analysis of single-ribosome translation
International Nuclear Information System (INIS)
Tinoco, Ignacio Jr; Wen, Jin-Der
2009-01-01
In the cell, proteins are synthesized by ribosomes in a multi-step process called translation. The ribosome translocates along the messenger RNA to read the codons that encode the amino acid sequence of a protein. Elongation factors, including EF-G and EF-Tu, are used to catalyze the process. Recently, we have shown that translation can be followed at the single-molecule level using optical tweezers; this technique allows us to study the kinetics of translation by measuring the lifetime the ribosome spends at each codon. Here, we analyze the data from single-molecule experiments and fit the data with simple kinetic models. We also simulate the translation kinetics based on a multi-step mechanism from ensemble kinetic measurements. The mean lifetimes from the simulation were consistent with our experimental single-molecule measurements. We found that the calculated lifetime distributions were fit in general by equations with up to five rate-determining steps. Two rate-determining steps were only obtained at low concentrations of elongation factors. These analyses can be used to design new single-molecule experiments to better understand the kinetics and mechanism of translation
DEFF Research Database (Denmark)
Slot Thing, Rune; Bernchou, Uffe; Mainegra-Hing, Ernesto
2013-01-01
Abstract Purpose. Cone beam computed tomography (CBCT) image quality is limited by scattered photons. Monte Carlo (MC) simulations provide the ability of predicting the patient-specific scatter contamination in clinical CBCT imaging. Lengthy simulations prevent MC-based scatter correction from...
Comparisons of spectral aerosol single scattering albedo in Seoul, South Korea
Mok, Jungbin; Krotkov, Nickolay A.; Torres, Omar; Jethva, Hiren; Li, Zhanqing; Kim, Jhoon; Koo, Ja-Ho; Go, Sujung; Irie, Hitoshi; Labow, Gordon; Eck, Thomas F.; Holben, Brent N.; Herman, Jay; Loughman, Robert P.; Spinei, Elena; Lee, Seoung Soo; Khatri, Pradeep; Campanelli, Monica
2018-04-01
Quantifying aerosol absorption at ultraviolet (UV) wavelengths is important for monitoring air pollution and aerosol amounts using current (e.g., Aura/OMI) and future (e.g., TROPOMI, TEMPO, GEMS, and Sentinel-4) satellite measurements. Measurements of column average atmospheric aerosol single scattering albedo (SSA) are performed on the ground by the NASA AERONET in the visible (VIS) and near-infrared (NIR) wavelengths and in the UV-VIS-NIR by the SKYNET networks. Previous comparison studies have focused on VIS and NIR wavelengths due to the lack of co-incident measurements of aerosol and gaseous absorption properties in the UV. This study compares the SKYNET-retrieved SSA in the UV with the SSA derived from a combination of AERONET, MFRSR, and Pandora (AMP) retrievals in Seoul, South Korea, in spring and summer 2016. The results show that the spectrally invariant surface albedo assumed in the SKYNET SSA retrievals leads to underestimated SSA compared to AMP values at near UV wavelengths. Re-processed SKYNET inversions using spectrally varying surface albedo, consistent with the AERONET retrieval improve agreement with AMP SSA. The combined AMP inversions allow for separating aerosol and gaseous (NO2 and O3) absorption and provide aerosol retrievals from the shortest UVB (305 nm) through VIS to NIR wavelengths (870 nm).
Single Higgs-boson production through γγ scattering within the general 2HDM
International Nuclear Information System (INIS)
Bernal, Nicolas; Lopez-Val, David; Sola, Joan
2009-01-01
The production of a single neutral Higgs boson h through (loop-induced) γγ collisions is explored in the context of the linear colliders within the general Two-Higgs-Doublet Model (2HDM). Two different mechanisms are analyzed: on the one hand, the scattering γγ→h of two real photons in a γγ collider; on the other, the more traditional mechanism of virtual photon fusion, e + e - →e + e - γ*γ*→e + e - +h. Owing to the peculiar properties of the Higgs boson self-interactions within the general 2HDM, we find that the overall production rates can be boosted up significantly, provided the charged Higgs mass is not too heavy. For example, if M H ± ≥100 GeV and, in addition, M h 0 falls in the ballpark of the LEP bound on the SM Higgs mass up to a few hundred GeV, the cross-sections may typically render γγ→h >∼0.1-1 pb and σ(e + e - →e + e - h 0 )≤0.01 pb - in both cases well above the SM prediction. Although for M H ± >300 GeV the rates become virtually insensitive to the Higgs boson self-couplings, a significant tail of non-SM effects produced by the combined contribution of the Yukawa couplings and gauge bosons could still reveal a smoking gun.
International Nuclear Information System (INIS)
Zhu, Yimei; Cai, Zhi-Xiong.
1993-01-01
Monte Carlo simulations were performed with a lattice gas model which represents the interactions between oxygen atoms in YBa 2 (Cu 1-x M x ) 3 O 7+δ (M=Fe, Co, or Al, 0.03< x <0.l) system. The amplitudes of concentration waves/displacement waves obtained from these simulations then were used to calculate the intensity of the diffuse scattering of tweed seen in the electron diffraction pattern. The characteristic features of the tweed image were produced by calculation, using a model based on the contrast originating from structures with displacive modulation, stacking on the top of each other. Both calculations agree well with the TEM observations and provide an useful basis for a better insight into the origin of the tweed structure
Energy Technology Data Exchange (ETDEWEB)
Garvey, G. T. [Los Alamos; Harris, D. A. [Fermilab; Tanaka, H. A. [British Columbia U.; Tayloe, R. [Indiana U.; Zeller, G. P. [Fermilab
2015-06-15
The study of neutrino–nucleus interactions has recently seen rapid development with a new generation of accelerator-based neutrino experiments employing medium and heavy nuclear targets for the study of neutrino oscillations. A few unexpected results in the study of quasi-elastic scattering and single photon production have spurred a revisiting of the underlying nuclear physics and connections to electron–nucleus scattering. A thorough understanding and resolution of these issues is essential for future progress in the study of neutrino oscillations.
International Nuclear Information System (INIS)
Choi, Han Kyu; Kim, Zee Hwan
2015-01-01
The electromagnetic (EM) enhancement mechanism of surface-enhanced Raman scattering (SERS) has been well established through 30 years of extensive investigation: molecules adsorbed on resonantly driven silver or gold nanoparticles (NPs) experience strongly enhanced field and thus show enhanced Raman scattering. Even stronger SERS enhancement is possible with a gap structure in which two or more NPs form assemblies with gap sizes of 1 nm or less. We have theoretically shown that the measurement of SERS angular distribution can reveal the position of a single molecule near the gap with 1-nm accuracy, even though the spatial extent of the enhanced field is ~10 nm. Real implementation of such experiment requires extremely well-defined (preferably a single crystal) dimeric junctions. Nevertheless, the experiment will provide spatial as well as frequency domain information on single-molecule dynamics at metallic surfaces
Retrievals and uncertainty analysis of aerosol single scattering albedo from MFRSR measurements
International Nuclear Information System (INIS)
Yin, Bangsheng; Min, Qilong; Joseph, Everette
2015-01-01
Aerosol single scattering albedo (SSA) can be retrieved from the ratio of diffuse horizontal and direct normal fluxes measured from multifilter rotating shadowband radiometer (MFRSR). In this study, the measurement channels at 415 nm and 870 nm are selected for aerosol optical depth (AOD) and Angstrom coefficient retrievals, and the measurements at 415 nm are used for aerosol SSA retrievals with the constraint of retrieved Angstrom coefficient. We extensively assessed various issues impacting on the accuracy of SSA retrieval from measurements to input parameters and assumptions. For cloud-free days with mean aerosol loading of 0.13–0.60, our sensitivity study indicated that: (1) 1% calibration uncertainty can result in 0.8–3.7% changes in retrieved SSA; (2) without considering the cosine respond correction and/or forward scattering correction will result in underestimation of 1.1–3.3% and/or 0.73% in retrieved SSA; (3) an overestimation of 0.1 in asymmetry factor can result in an underestimation of 2.54–3.4% in retrieved SSA; (4) for small aerosol loading (e.g., 0.13), the uncertainty associated with the choice of Rayleigh optical depth value can result in non-negligible change in retrieved SSA (e.g., 0.015); (5) an uncertainty of 0.05 for surface albedo can result in changes of 1.49–5.4% in retrieved SSA. We applied the retrieval algorithm to the MFRSR measurements at the Atmospheric Radiation Measurements (ARM) Southern Great Plains (SGP) site. The retrieved results of AOD, Angstrom coefficient, and SSA are basically consistent with other independent measurements from co-located instruments at the site. - Highlights: • Aerosol SSA is derived from MFRSR measured diffuse to direct normal irradiance ratio. • We extensively assessed various issues impacting on the accuracy of SSA retrieval. • The issues are mainly from measurements and model input parameters and assumptions. • We applied the retrieval algorithm to the MFRSR measurements at ARM SGP
Monte Carlo simulation of radiative processes in electron-positron scattering
International Nuclear Information System (INIS)
Kleiss, R.H.P.
1982-01-01
The Monte Carlo simulation of scattering processes has turned out to be one of the most successful methods of translating theoretical predictions into experimentally meaningful quantities. It is the purpose of this thesis to describe how this approach can be applied to higher-order QED corrections to several fundamental processes. In chapter II a very brief overview of the currently interesting phenomena in e +- scattering is given. It is argued that accurate information on higher-order QED corrections is very important and that the Monte Carlo approach is one of the most flexible and general methods to obtain this information. In chapter III the author describes various techniques which are useful in this context, and makes a few remarks on the numerical aspects of the proposed method. In the following three chapters he applies this to the processes e + e - → μ + μ - (γ) and e + e - → qanti q(sigma). In chapter IV he motivates his choice of these processes in view of their experimental and theoretical relevance. The formulae necessary for a computer simulation of all quantities of interest, up to order α 3 , is given. Chapters V and VI describe how this simulation can be performed using the techniques mentioned in chapter III. In chapter VII it is shown how additional dynamical quantities, namely the polarization of the incoming and outgoing particles, can be incorporated in our treatment, and the relevant formulae for the example processes mentioned above are given. Finally, in chapter VIII the author presents some examples of the comparison between theoretical predictions based on Monte Carlo simulations as outlined here, and the results from actual experiments. (Auth.)
Pascal, Elena; Singh, Saransh; Callahan, Patrick G; Hourahine, Ben; Trager-Cowan, Carol; Graef, Marc De
2018-04-01
Transmission Kikuchi diffraction (TKD) has been gaining momentum as a high resolution alternative to electron back-scattered diffraction (EBSD), adding to the existing electron diffraction modalities in the scanning electron microscope (SEM). The image simulation of any of these measurement techniques requires an energy dependent diffraction model for which, in turn, knowledge of electron energies and diffraction distances distributions is required. We identify the sample-detector geometry and the effect of inelastic events on the diffracting electron beam as the important factors to be considered when predicting these distributions. However, tractable models taking into account inelastic scattering explicitly are lacking. In this study, we expand the Monte Carlo (MC) energy-weighting dynamical simulations models used for EBSD [1] and ECP [2] to the TKD case. We show that the foil thickness in TKD can be used as a means of energy filtering and compare band sharpness in the different modalities. The current model is shown to correctly predict TKD patterns and, through the dictionary indexing approach, to produce higher quality indexed TKD maps than conventional Hough transform approach, especially close to grain boundaries. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.
Single photon laser altimeter simulator and statistical signal processing
Vacek, Michael; Prochazka, Ivan
2013-05-01
Spaceborne altimeters are common instruments onboard the deep space rendezvous spacecrafts. They provide range and topographic measurements critical in spacecraft navigation. Simultaneously, the receiver part may be utilized for Earth-to-satellite link, one way time transfer, and precise optical radiometry. The main advantage of single photon counting approach is the ability of processing signals with very low signal-to-noise ratio eliminating the need of large telescopes and high power laser source. Extremely small, rugged and compact microchip lasers can be employed. The major limiting factor, on the other hand, is the acquisition time needed to gather sufficient volume of data in repetitive measurements in order to process and evaluate the data appropriately. Statistical signal processing is adopted to detect signals with average strength much lower than one photon per measurement. A comprehensive simulator design and range signal processing algorithm are presented to identify a mission specific altimeter configuration. Typical mission scenarios (celestial body surface landing and topographical mapping) are simulated and evaluated. The high interest and promising single photon altimeter applications are low-orbit (˜10 km) and low-radial velocity (several m/s) topographical mapping (asteroids, Phobos and Deimos) and landing altimetry (˜10 km) where range evaluation repetition rates of ˜100 Hz and 0.1 m precision may be achieved. Moon landing and asteroid Itokawa topographical mapping scenario simulations are discussed in more detail.
DEFF Research Database (Denmark)
Cannavacciuolo, L.; Sommer, C.; Pedersen, J.S.
2000-01-01
outlined in the Odijk-Skolnick-Fixman theory, in which the behavior of charged polymers is described only in terms of increasing local rigidity and excluded volume effects. Moreover, the Monte Carlo data are found to be in very good agreement with experimental scattering measurements with equilibrium......We present a systematic Monte Carlo study of the scattering function S(q) of semiflexible polyelectrolytes at infinite dilution, in solutions with different concentrations of added salt. In the spirit of a theoretical description of polyelectrolytes in terms of the equivalent parameters, namely......, persistence length and excluded volume interactions, we used a modified wormlike chain model, in which the monomers are represented by charged hard spheres placed at distance a. The electrostatic interactions are approximated by a Debye-Huckel potential. We show that the scattering function is quantitatively...
Czech Academy of Sciences Publication Activity Database
Burkovsky, R.G.; Bronwald, Y.A.; Filimonov, A.V.; Rudskoy, A.I.; Chernyshov, D.; Bosak, A.; Hlinka, Jiří; Long, X.; Ye, Z. -G.; Vakhrushev, S. B.
2012-01-01
Roč. 109, č. 9 (2012), "097603-1"-"097603-4" ISSN 0031-9007 R&D Projects: GA ČR GAP204/10/0616 Institutional research plan: CEZ:AV0Z10100520 Keywords : inelastic x-ray scattering * PZT * diffuse scattering * morphotropic phase boundary Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.943, year: 2012
Chen, Y. H.; Kuo, C. P.; Huang, X.; Yang, P.
2017-12-01
Clouds play an important role in the Earth's radiation budget, and thus realistic and comprehensive treatments of cloud optical properties and cloud-sky radiative transfer are crucial for simulating weather and climate. However, most GCMs neglect LW scattering effects by clouds and tend to use inconsistent cloud SW and LW optical parameterizations. Recently, co-authors of this study have developed a new LW optical properties parameterization for ice clouds, which is based on ice cloud particle statistics from MODIS measurements and state-of-the-art scattering calculation. A two-stream multiple-scattering scheme has also been implemented into the RRTMG_LW, a widely used longwave radiation scheme by climate modeling centers. This study is to integrate both the new LW cloud-radiation scheme for ice clouds and the modified RRTMG_LW with scattering capability into the NCAR CESM to improve the cloud longwave radiation treatment. A number of single column model (SCM) simulations using the observation from the ARM SGP site on July 18 to August 4 in 1995 are carried out to assess the impact of new LW optical properties of clouds and scattering-enabled radiation scheme on simulated radiation budget and cloud radiative effect (CRE). The SCM simulation allows interaction between cloud and radiation schemes with other parameterizations, but the large-scale forcing is prescribed or nudged. Comparing to the results from the SCM of the standard CESM, the new ice cloud optical properties alone leads to an increase of LW CRE by 26.85 W m-2 in average, as well as an increase of the downward LW flux at surface by 6.48 W m-2. Enabling LW cloud scattering further increases the LW CRE by another 3.57 W m-2 and the downward LW flux at the surface by 0.2 W m-2. The change of LW CRE is mainly due to an increase of cloud top height, which enhances the LW CRE. A long-term simulation of CESM will be carried out to further understand the impact of such changes on simulated climates.
Energy Technology Data Exchange (ETDEWEB)
Fischer, Sean A.; Apra, Edoardo; Govind, Niranjan; Hess, Wayne P.; El-Khoury, Patrick Z.
2017-02-03
Recent developments in nanophotonics have paved the way for achieving significant advances in the realm of single molecule chemical detection, imaging, and dynamics. In particular, surface-enhanced Raman scattering (SERS) is a powerful analytical technique that is now routinely used to identify the chemical identity of single molecules. Understanding how nanoscale physical and chemical processes affect single molecule SERS spectra and selection rules is a challenging task, and is still actively debated. Herein, we explore underappreciated chemical phenomena in ultrasensitive SERS. We observe a fluctuating excited electronic state manifold, governed by the conformational dynamics of a molecule (4,4’-dimercaptostilbene, DMS) interacting with a metallic cluster (Ag20). This affects our simulated single molecule SERS spectra; the time trajectories of a molecule interacting with its unique local environment dictates the relative intensities of the observable Raman-active vibrational states. Ab initio molecular dynamics of a model Ag20-DMS system are used to illustrate both concepts in light of recent experimental results.
Fuel rod simulator effects in flooding experiments single rod tests
International Nuclear Information System (INIS)
Nishida, M.
1984-09-01
The influence of a gas filled gap between cladding and pellet on the quenching behavior of a PWR fuel rod during the reflood phase of a LOCA has been investigated. Flooding experiments were conducted with a short length electrically heated single fuel rod simulator surrounded by glass housing. The gap of 0.05 mm width between the Zircaloy cladding and the internal Al 2 O 3 pellets of the rod was filled either wit helium or with argon to vary the radial heat resistance across the gap. This report presents some typical data and an evaluation of the reflood behavior of the fuel rod simulator used. The results show that the quench front propagates faster for increasing heat resistance in the gap between cladding and heat source of the rod. (orig.) [de
International Nuclear Information System (INIS)
Martinez, R.M.
1983-01-01
Part One examines the properties of electron cyclotron harmonic waves by means of computer simulation. The electromagnetic cyclotron harmonic modes not previously observed in simulation are emphasized and compared with the better known electrostatic (Bernstein) modes for perpendicular propagation. The investigation is performed by a spectrum analysis (both wavelength and frequency) of the thermal equilibrium electromagnetic fluctuation fields present in the simulation. A numerical solution of the fully electromagnetic dispersion relation shows that extreme frequency resolution is necessary to discern shifts of the electromagnetic mode frequencies from the cyclotron harmonics except at high plasma density or temperature. The simulation results show that at high plasma pressure the amplitude of the electromagnetic modes can become greater than that of the electrostatic modes. Part Two examines the interaction of an external electromagnetic wave with the electrostatic cylotron harmonic modes. The stimulated Raman scattering with an extraordinary wave as the pump is observed to occur in a wavelength regime where it would be prevented by Landau damping in an unmagnetized plasma
International Nuclear Information System (INIS)
Meglinskii, I V
2001-01-01
The reflection spectra of a multilayer random medium - the human skin - strongly scattering and absorbing light are numerically simulated. The propagation of light in the medium and the absorption spectra are simulated by the stochastic Monte Carlo method, which combines schemes for calculations of real photon trajectories and the statistical weight method. The model takes into account the inhomogeneous spatial distribution of blood vessels, water, and melanin, the degree of blood oxygenation, and the hematocrit index. The attenuation of the incident radiation caused by reflection and refraction at Fresnel boundaries of layers inside the medium is also considered. The simulated reflection spectra are compared with the experimental reflection spectra of the human skin. It is shown that a set of parameters that was used to describe the optical properties of skin layers and their possible variations, despite being far from complete, is nevertheless sufficient for the simulation of the reflection spectra of the human skin and their quantitative analysis. (laser applications and other topics in quantum electronics)
Single Stage To Orbit Minimum Requirements Through Numerical Simulation
Teixeira, E.
It is widely known that producing a single stage to orbit spacecraft is no easy task. It is also understood that it will be the first steady step towards spacecraft that operate in much the same way as today's airliners. This, in turn is believed to decrease the economical cost of reaching space through more efficient use of a single vehicle and higher launch rates. Space is then open to the common man, either through tourism or as a transportation medium. This paper is yet another study on the physical requirements of a SSTO spacecraft. It will begin with simple assumptions and gradually build up accuracy until reaching the use of a numerical simulation tool, so as to provide the necessary insight into it. The curvature of the Earth, its gravitational field, the exhaust pressure loss and atmospheric drag are a few of the considerations that the simulation takes into account. No attention was give to the actual details of the spacecraft such as propulsion type(s), winged or lifting body (aerodynamics), active or passive cooling (thermodynamics), stability and control. All these subsystems are considered to be included into the construction mass. The drag model is a simple textbook approximation and the propulsion force is given by a hypothetical propellant and engine so as to produce the assumed range of specific impulse. Even the construction mass is supposed to be futuristic so as to reach the lowest specified values. Not only vertical take-off will be simulated but also horizontal launching from altitude (from a towing aircraft, for example). The result of the paper shows the relationship between the construction mass and the specific impulse of a given spacecraft if it is to reach low earth orbit. This paper thus aims at bringing some light to the controversial discussion of how to make these vehicles a reality. The simulation program (Matlab) is available to students.
Resmini, Ronald G.; Graver, William R.; Kappus, Mary E.; Anderson, Mark E.
1996-11-01
Constrained energy minimization (CEM) has been applied to the mapping of the quantitative areal distribution of the mineral alunite in an approximately 1.8 km2 area of the Cuprite mining district, Nevada. CEM is a powerful technique for rapid quantitative mineral mapping which requires only the spectrum of the mineral to be mapped. A priori knowledge of background spectral signatures is not required. Our investigation applies CEM to calibrated radiance data converted to apparent reflectance (AR) and to single scattering albedo (SSA) spectra. The radiance data were acquired by the 210 channel, 0.4 micrometers to 2.5 micrometers airborne Hyperspectral Digital Imagery Collection Experiment sensor. CEM applied to AR spectra assumes linear mixing of the spectra of the materials exposed at the surface. This assumption is likely invalid as surface materials, which are often mixtures of particulates of different substances, are more properly modeled as intimate mixtures and thus spectral mixing analyses must take account of nonlinear effects. One technique for approximating nonlinear mixing requires the conversion of AR spectra to SSA spectra. The results of CEM applied to SSA spectra are compared to those of CEM applied to AR spectra. The occurrence of alunite is similar though not identical to mineral maps produced with both the SSA and AR spectra. Alunite is slightly more widespread based on processing with the SSA spectra. Further, fractional abundances derived from the SSA spectra are, in general, higher than those derived from AR spectra. Implications for the interpretation of quantitative mineral mapping with hyperspectral remote sensing data are discussed.
Alamethicin in lipid bilayers: combined use of X-ray scattering and MD simulations.
Pan, Jianjun; Tieleman, D Peter; Nagle, John F; Kucerka, Norbert; Tristram-Nagle, Stephanie
2009-06-01
We study fully hydrated bilayers of two di-monounsaturated phospholipids diC18:1PC (DOPC) and diC22:1PC with varying amounts of alamethicin (Alm). We combine the use of X-ray diffuse scattering and molecular dynamics simulations to determine the orientation of alamethicin in model lipids. Comparison of the experimental and simulated form factors shows that Alm helices are inserted transmembrane at high humidity and high concentrations, in agreement with earlier results. The X-ray scattering data and the MD simulations agree that membrane thickness changes very little up to 1/10 Alm/DOPC. In contrast, the X-ray data indicate that the thicker diC22:1PC membrane thins with added Alm, a total decrease in thickness of 4 A at 1/10 Alm/diC22:1PC. The different effect of Alm on the thickness changes of the two bilayers is consistent with Alm having a hydrophobic thickness close to the hydrophobic thickness of 27 A for DOPC; Alm is then mismatched with the 7 A thicker diC22:1PC bilayer. The X-ray data indicate that Alm decreases the bending modulus (K(C)) by a factor of approximately 2 in DOPC and a factor of approximately 10 in diC22:1PC membranes (P/L approximately 1/10). The van der Waals and fluctuational interactions between bilayers are also evaluated through determination of the anisotropic B compressibility modulus.
International Nuclear Information System (INIS)
Al-Ghorabie, F.H.H.
2003-01-01
In this paper a computer model based on the use of the well-known Monte Carlo simulation code EGS4 was developed to simulate the scattering of polyenergetic X-ray beams through some materials. These materials are: lucite, polyethylene, polypropylene and aluminium. In particular, the ratio of the scattered to total X-ray fluence (scatter fraction) has been calculated for X-ray beams in the energy region 30-120 keV. In addition scatter fractions have been determined experimentally using a polyenergetic superficial X-ray unit. Comparison of the measured and the calculated results has been performed. The Monte Carlo calculations have also been carried out for water, bakelite and bone to examine the dependence of scatter fraction on the density of the scatterer. Good agreement (estimated statistical error < 5%) was obtained between the measured and the calculated values of the scatter fractions for materials with Z < 20 that were studied in this paper. Copyright (2003) Australasian College of Physical Scientists and Engineers in Medicine
Directory of Open Access Journals (Sweden)
Gao Jingkun
2018-02-01
Full Text Available Echo simulation is a precondition for developing radar imaging systems, algorithms, and subsequent applications. Electromagnetic scattering modeling of the target is key to echo simulation. At terahertz (THz frequencies, targets are usually of ultra-large electrical size that makes applying classical electromagnetic calculation methods unpractical. In contrast, the short wavelength makes the surface roughness of targets a factor that cannot be ignored, and this makes the traditional echo simulation methods based on point scattering hypothesis in applicable. Modeling the scattering characteristics of targets and efficiently generating its radar echoes in THz bands has become a problem that must be solved. In this paper, a hierarchical semi-deterministic modeling method is proposed. A full-wave algorithm of rough surfaces is used to calculate the scattered field of facets. Then, the scattered fields of all facets are transformed into the target coordinate system and coherently summed. Finally, the radar echo containing phase information can be obtained. Using small-scale rough models, our method is compared with the standard high-frequency numerical method, which verifies the effectiveness of the proposed method. Imaging results of a full-scale cone-shape target is presented, and the scattering model and echo generation problem of the full-scale convex targets with rough surfaces in THz bands are preliminary solved; this lays the foundation for future research on imaging regimes and algorithms.
Directory of Open Access Journals (Sweden)
Liu Cheng
2016-01-01
Full Text Available ANSYS can be a powerful tool to simulate the process of energy exchange in magnetically-coupled resonant wireless power transfer system. In this work, the MCR-WPT system with single intermediate coil resonator is simulated and researched based on scattering parameters using ANSYS Electromagnetics. The change rule of power transfer efficiency is reflected intuitively through the scattering parameters. A new method of calculating the coupling coefficient is proposed. A cascaded 2-port network model using scattering parameters is adopted to research the efficiency of transmission. By changing the relative position and the number of turns of the intermediate coil, we find some factors affecting the efficiency of transmission. Methods and principles of designing the MCR-WPT system with single intermediate coil resonator are obtained. And these methods have practical value with design and optimization of system efficiency.
International Nuclear Information System (INIS)
Saddi, M.B.; Sandhu, B.S.; Singh, B.
2006-01-01
The phenomenon of double-photon Compton scattering has been successfully observed using a single γ detector, a technique avoiding the use of the complicated slow-fast coincidence set-up used till now for observing this higher-order process. Here doubly differential collision cross-sections integrated over the directions of one of the two final photons, the direction of other one being kept fixed, are measured experimentally for 0.662 MeV incident γ photons. The energy spectra of the detected photons are observed as a long tail to the single-photon Compton line on the lower side of the full energy peak in the recorded scattered energy spectrum. The present results are in agreement with theory of this process
Abbiendi, G; Akesson, P.F.; Alexander, G.; Allison, John; Amaral, P.; Anagnostou, G.; Anderson, K.J.; Arcelli, S.; Asai, S.; Axen, D.; Azuelos, G.; Bailey, I.; Barberio, E.; Barlow, R.J.; Batley, R.J.; Bechtle, P.; Behnke, T.; Bell, Kenneth Watson; Bell, P.J.; Bella, G.; Bellerive, A.; Benelli, G.; Bethke, S.; Biebel, O.; Boeriu, O.; Bock, P.; Boutemeur, M.; Braibant, S.; Brigliadori, L.; Brown, Robert M.; Buesser, K.; Burckhart, H.J.; Campana, S.; Carnegie, R.K.; Caron, B.; Carter, A.A.; Carter, J.R.; Chang, C.Y.; Charlton, David G.; Csilling, A.; Cuffiani, M.; Dado, S.; De Roeck, A.; De Wolf, E.A.; Desch, K.; Dienes, B.; Donkers, M.; Dubbert, J.; Duchovni, E.; Duckeck, G.; Duerdoth, I.P.; Etzion, E.; Fabbri, F.; Feld, L.; Ferrari, P.; Fiedler, F.; Fleck, I.; Ford, M.; Frey, A.; Furtjes, A.; Gagnon, P.; Gary, John William; Gaycken, G.; Geich-Gimbel, C.; Giacomelli, G.; Giacomelli, P.; Giunta, Marina; Goldberg, J.; Groll, M.; Gross, E.; Grunhaus, J.; Gruwe, M.; Gunther, P.O.; Gupta, A.; Hajdu, C.; Hamann, M.; Hanson, G.G.; Harder, K.; Harel, A.; Harin-Dirac, M.; Hauschild, M.; Hawkes, C.M.; Hawkings, R.; Hemingway, R.J.; Hensel, C.; Herten, G.; Heuer, R.D.; Hill, J.C.; Hoffman, Kara Dion; Horvath, D.; Igo-Kemenes, P.; Ishii, K.; Jeremie, H.; Jovanovic, P.; Junk, T.R.; Kanaya, N.; Kanzaki, J.; Karapetian, G.; Karlen, D.; Kawagoe, K.; Kawamoto, T.; Keeler, R.K.; Kellogg, R.G.; Kennedy, B.W.; Kim, D.H.; Klein, K.; Klier, A.; Kluth, S.; Kobayashi, T.; Kobel, M.; Komamiya, S.; Kormos, Laura L.; Kramer, T.; Krieger, P.; von Krogh, J.; Kruger, K.; Kuhl, T.; Kupper, M.; Lafferty, G.D.; Landsman, H.; Lanske, D.; Layter, J.G.; Leins, A.; Lellouch, D.; Lettso, J.; Levinson, L.; Lillich, J.; Lloyd, S.L.; Loebinger, F.K.; Lu, J.; Ludwig, J.; Macpherson, A.; Mader, W.; Marcellini, S.; Martin, A.J.; Masetti, G.; Mashimo, T.; Mattig, Peter; McDonald, W.J.; McKenna, J.; McMahon, T.J.; McPherson, R.A.; Meijers, F.; Menges, W.; Merritt, F.S.; Mes, H.; Michelini, A.; Mihara, S.; Mikenberg, G.; Miller, D.J.; Moed, S.; Mohr, W.; Mori, T.; Mutter, A.; Nagai, K.; Nakamura, I.; Nanjo, H.; Neal, H.A.; Nisius, R.; O'Neale, S.W.; Oh, A.; Okpara, A.; Oreglia, M.J.; Orito, S.; Pahl, C.; Pasztor, G.; Pater, J.R.; Patrick, G.N.; Pilcher, J.E.; Pinfold, J.; Plane, David E.; Poli, B.; Polok, J.; Pooth, O.; Przybycien, M.; Quadt, A.; Rabbertz, K.; Rembser, C.; Renkel, P.; Roney, J.M.; Rosati, S.; Rozen, Y.; Runge, K.; Sachs, K.; Saeki, T.; Sarkisyan, E.K.G.; Schaile, A.D.; Schaile, O.; Scharff-Hansen, P.; Schieck, J.; Schoerner-Sadenius, Thomas; Schroder, Matthias; Schumacher, M.; Schwick, C.; Scott, W.G.; Seuster, R.; Shears, T.G.; Shen, B.C.; Sherwood, P.; Siroli, G.; Skuja, A.; Smith, A.M.; Sobie, R.; Soldner-Rembold, S.; Spano, F.; Stahl, A.; Stephens, K.; Strom, David M.; Strohmer, R.; Tarem, S.; Tasevsky, M.; Taylor, R.J.; Teuscher, R.; Thomson, M.A.; Torrence, E.; Toya, D.; Tran, P.; Trigger, I.; Trocsanyi, Z.; Tsur, E.; Turner-Watson, M.F.; Ueda, I.; Ujvari, B.; Vollmer, C.F.; Vannerem, P.; Vertesi, R.; Verzocchi, M.; Voss, H.; Vossebeld, J.; Waller, D.; Ward, C.P.; Ward, D.R.; Watkins, P.M.; Watson, A.T.; Watson, N.K.; Wells, P.S.; Wengler, T.; Wermes, N.; Wetterling, G.W.; Wilson, D.; Wilson, J.A.; Wolf, G.; Wyatt, T.R.; Yamashita, S.; Zer-Zion, D.; Zivkovic, Lidija
2003-01-01
A search for single production of doubly-charged Higgs bosons has been performed using 600.7 pb^-1 of e+e- collision data with sqrt(s)=189--209GeV collected by the OPAL detector at LEP. No evidence for the existence of H++/-- is observed. Upper limits on the Yukawa coupling of the H++/-- to like-signed electron pairs are derived. Additionally, indirect constraints on the Yukawa coupling from Bhabha scattering, where the H++/-- would contribute via t-channel exchange, are derived for M(H++/--) < 2TeV. These are the first results for both a single production search and constraints from Bhabha scattering reported from LEP.
International Nuclear Information System (INIS)
Najsh, V.E.; Novoselova, T.V.; Sagaradze, I.V.; Kvyatkovskij, B.E.; Fedorov, V.I.; Chernenkov, Yu.P.
1994-01-01
With the use of X-ray diffractometer a study was made into the intensity of diffuse scattering in Ni crystals with FCC lattice. Earlier accomplished quantitative analysis for BCC crystals was extended to FCC lattices. Comparative evaluation was made for cooperative thermal oscillation patterns and corresponding diffuse scattering in crystals of various structures. Measurements on FCC crystals were carried out at room temperature using AgK a lpha-radiation in 96 points of Ni crystal. 8 refs., 4 figs
International Nuclear Information System (INIS)
Chaparian, A.; Oghabian, M. A.; Changizi, V.
2009-01-01
Recently, it has been indicated that X-ray coherent scatter from biological tissues can be used to access signature of tissue. Some scientists are interested in studying this effect to get early detection of breast cancer. Since experimental methods for optimization are time consuming and expensive, some scientists suggest using simulation. Monte Carlo codes are the best option for radiation simulation: however, one permanent defect with Monte Carlo codes has been the lack of a sufficient physical model for coherent (Rayleigh) scattering, including molecular interference effects. Materials and Methods: It was decided to obtain molecular interference functions of coherent X-ray scattering for normal breast tissues by combination of modeling and experimental methods. A Monte Carlo simulation program was written to simulate the angular distribution of scattered photons for the normal breast tissue samples. Moreover, experimental diffraction patterns of these tissues were measured by means of energy dispersive X-ray diffraction method. The simulation and experimental data were used to obtain a tabulation of molecular interference functions for breast tissues. Results: With this study a tabulation of molecular interference functions for normal breast tissues Was prepared to facilitate the simulation diffraction patterns of the tissues without any experimental. Conclusion: The method may lead to design new systems for early detection of breast cancer.
Monte Carlo simulation of the scattering foil for EB food processing facility
International Nuclear Information System (INIS)
Petwal, V.C.; Pramod, R.; Soni, H.C.
2003-01-01
The electron beam coming out from accelerator window has diameter of few mm, and posses Gaussian distribution of electrons within its envelope. When such electron beam with 10 MeV energy and 1 kW average power passes through a vacuum isolating window and is allowed to fall on a product, the dose distribution of each beam pulse in side the product is very narrow. At 10 cm away from window the FWHM of dose profile is few cm with peak dose rate of the order kGy/pulse. In order to use this beam to process onion and potato in accordance with the stipulated requirement of total delivered dose and dose uniformity, the dose profile from each pulse must be modified. In present study the modification/flattening of the dose profile of each pulse is achieved by introducing scattering foil in the path of electron beam. The optimization of the scattering foil and resulting dose distributions simulated with MCNP (Monte Carlo Code for N Particle) is presented in the paper. (author)
Yi, Zheng; Lindner, Benjamin; Prinz, Jan-Hendrik; Noé, Frank; Smith, Jeremy C
2013-11-07
Neutron scattering experiments directly probe the dynamics of complex molecules on the sub pico- to microsecond time scales. However, the assignment of the relaxations seen experimentally to specific structural rearrangements is difficult, since many of the underlying dynamical processes may exist on similar timescales. In an accompanying article, we present a theoretical approach to the analysis of molecular dynamics simulations with a Markov State Model (MSM) that permits the direct identification of structural transitions leading to each contributing relaxation process. Here, we demonstrate the use of the method by applying it to the configurational dynamics of the well-characterized alanine dipeptide. A practical procedure for deriving the MSM from an MD is introduced. The result is a 9-state MSM in the space of the backbone dihedral angles and the side-chain methyl group. The agreement between the quasielastic spectrum calculated directly from the atomic trajectories and that derived from the Markov state model is excellent. The dependence on the wavevector of the individual Markov processes is described. The procedure means that it is now practicable to interpret quasielastic scattering spectra in terms of well-defined intramolecular transitions with minimal a priori assumptions as to the nature of the dynamics taking place.
Simulation of electromagnetic scattering through the E-XFEL third harmonic cavity module
Joshi, N.Y; Shiliang, L; Baboi, N
2017-01-01
The European XFEL (E-XFEL) is being fabricated in Hamburg to serve as an X-ray Free Electron Laser light source. The electron beam will be accelerated through linacs consisting of 1.3GHz superconducting cavities along a length of 2.1km. In addition, third harmonic cavities will improve the quality of the beam by line arising the ﬁeld proﬁle and hence reducing the energy spread. There are eight 3.9GHz cavities within a single module AH1 of E-XFEL. The beam-excited electromagnetic(EM) ﬁeld in these cavities can be decomposed into a series of eigenmodes. These modes are, in general, not cut-oﬀ between one cavity and the next, as they are able to couple to each other through out the module. Here for the ﬁrst time, we evaluate components of the scattering matrix for module AH1. This is a computation ally expensive system, and hence we employ a Generalized Scattering Matrix(GSM)technique to allow rapid computation with reduced memory requirements. Veriﬁcation is provided on reduced structures, which are...
Simulating Biomass Fast Pyrolysis at the Single Particle Scale
Energy Technology Data Exchange (ETDEWEB)
Ciesielski, Peter [National Renewable Energy Laboratory (NREL); Wiggins, Gavin [ORNL; Daw, C Stuart [ORNL; Jakes, Joseph E. [U.S. Forest Service, Forest Products Laboratory, Madison, Wisconsin, USA
2017-07-01
Simulating fast pyrolysis at the scale of single particles allows for the investigation of the impacts of feedstock-specific parameters such as particle size, shape, and species of origin. For this reason particle-scale modeling has emerged as an important tool for understanding how variations in feedstock properties affect the outcomes of pyrolysis processes. The origins of feedstock properties are largely dictated by the composition and hierarchical structure of biomass, from the microstructural porosity to the external morphology of milled particles. These properties may be accounted for in simulations of fast pyrolysis by several different computational approaches depending on the level of structural and chemical complexity included in the model. The predictive utility of particle-scale simulations of fast pyrolysis can still be enhanced substantially by advancements in several areas. Most notably, considerable progress would be facilitated by the development of pyrolysis kinetic schemes that are decoupled from transport phenomena, predict product evolution from whole-biomass with increased chemical speciation, and are still tractable with present-day computational resources.
Simulations of surface stress effects in nanoscale single crystals
Zadin, V.; Veske, M.; Vigonski, S.; Jansson, V.; Muszinsky, J.; Parviainen, S.; Aabloo, A.; Djurabekova, F.
2018-04-01
Onset of vacuum arcing near a metal surface is often associated with nanoscale asperities, which may dynamically appear due to different processes ongoing in the surface and subsurface layers in the presence of high electric fields. Thermally activated processes, as well as plastic deformation caused by tensile stress due to an applied electric field, are usually not accessible by atomistic simulations because of the long time needed for these processes to occur. On the other hand, finite element methods, able to describe the process of plastic deformations in materials at realistic stresses, do not include surface properties. The latter are particularly important for the problems where the surface plays crucial role in the studied process, as for instance, in the case of plastic deformations at a nanovoid. In the current study by means of molecular dynamics (MD) and finite element simulations we analyse the stress distribution in single crystal copper containing a nanovoid buried deep under the surface. We have developed a methodology to incorporate the surface effects into the solid mechanics framework by utilizing elastic properties of crystals, pre-calculated using MD simulations. The method leads to computationally efficient stress calculations and can be easily implemented in commercially available finite element software, making it an attractive analysis tool.
Computer simulation tools for X-ray analysis scattering and diffraction methods
Morelhão, Sérgio Luiz
2016-01-01
The main goal of this book is to break down the huge barrier of difficulties faced by beginners from many fields (Engineering, Physics, Chemistry, Biology, Medicine, Material Science, etc.) in using X-rays as an analytical tool in their research. Besides fundamental concepts, MatLab routines are provided, showing how to test and implement the concepts. The major difficult in analyzing materials by X-ray techniques is that it strongly depends on simulation software. This book teaches the users on how to construct a library of routines to simulate scattering and diffraction by almost any kind of samples. It provides to a young student the knowledge that would take more than 20 years to acquire by working on X-rays and relying on the available textbooks. In this book, fundamental concepts in applied X-ray physics are demonstrated through available computer simulation tools. Using MatLab, more than eighty routines are developed for solving the proposed exercises, most of which can be directly used in experimental...
International Nuclear Information System (INIS)
Mikrenska, M.; Koulev, P.; Renard, J.-B.; Hadamcik, E.; Worms, J.-C.
2006-01-01
The Direct Simulation Monte Carlo (DSMC) model is presented for three-dimensional single scattering of natural light by suspended, randomly oriented, optically homogeneous and isotropic, rounded and stochastically rough cubic particles. The modelled particles have large size parameter that allows geometric optics approximation to be used. The proposed computational model is simple and flexible. It is tested by comparison with known geometric optics solution for a perfect cube and Lorenz-Mie solution for a sphere, as extreme cases of the class of rounded cubes. Scattering and polarization properties of particles with various geometrical and optical characteristics are examined. The experimental study of real NaCl crystals with new Progra 2 instrument in microgravity conditions is conducted. The experimental and computed polarization and brightness phase curves are compared
SPH Simulation of Liquid Scattering from the Edge of a Rotary Atomizer
Izawa, Seiichiro; Ito, Takuya; Shigeta, Masaya; Fukunishi, Yu
2013-11-01
Three-dimensional incompressible SPH method is used to simulate the behavior of liquid scattering from the edge of a rotary atomizer. Rotary atomizers have been widely used for spraying, painting and coating, for instance, in the automobile industry. However, how the spray droplets are formed after leaving the edge of the rotary atomizer is not well understood, because the scale of the phenomenon is very small and the speed of rotation is very fast. The present computational result shows that while the liquid forms a film on the surface of the rotating disk of the atomizer, it quickly deforms into many thin columns after leaving the disk edge, and these columns soon break up into fine droplets which spread out in the radial direction. The size of droplets tends to become smaller with the increase in the disk rotating speed. The results show good agreement with the experimental observations.
International Nuclear Information System (INIS)
Han, Y.P.; Cui, Z.W.; Gouesbet, G.
2012-01-01
An efficient numerical method based on the surface integral equations is introduced to simulate the scattering of Gaussian beam by complex particles that consist of an arbitrarily shaped host particle and multiple internal inclusions of arbitrary shape. In particular, the incident focused Gaussian beam is described by the Davis fifth-order approximate expressions in combination with rotation defined by Euler angles. The established surface integral equations are discretized with the method of moments, where the unknown equivalent electric and magnetic currents induced on the surfaces of the host particle and the internal inclusions are expanded using the Rao-Wilton-Glisson (RWG) basis functions. The resultant matrix equations are solved by using the parallel conjugate gradient method. The proposed numerical method is validated and its capability illustrated in several characteristic examples.
DaMaSCUS-CRUST: Dark Matter Simulation Code for Underground Scatterings - Crust Edition
Emken, Timon; Kouvaris, Chris
2018-03-01
DaMaSCUS-CRUST determines the critical cross-section for strongly interacting DM for various direct detection experiments systematically and precisely using Monte Carlo simulations of DM trajectories inside the Earth's crust, atmosphere, or any kind of shielding. Above a critical dark matter-nucleus scattering cross section, any terrestrial direct detection experiment loses sensitivity to dark matter, since the Earth crust, atmosphere, and potential shielding layers start to block off the dark matter particles. This critical cross section is commonly determined by describing the average energy loss of the dark matter particles analytically. However, this treatment overestimates the stopping power of the Earth crust; therefore, the obtained bounds should be considered as conservative. DaMaSCUS-CRUST is a modified version of DaMaSCUS (ascl:1706.003) that accounts for shielding effects and returns a precise exclusion band.
Simulation of the scattering in a thorium foil of 0.15-2.3 MeV electrons and positrons
International Nuclear Information System (INIS)
Bargholtz, Chr.; Holmberg, L.; Liljequist, D.; Tegner, P.E.
1993-01-01
Studies of the scattering in thorium of electrons emitted in the decay of 90 Sr, involving measurements of the coincidence spectra of electrons and positrons in the energy region 210-420 keV in search for anomalies, have previously been reported. In the analysis of the experimental results, computer simulations of the scattering and energy loss of the electrons and positrons were used. The present report describes the models and assumptions used in this simulation and the comparison with experimentally determined spectra
Hu, Zhongwei; Chulhai, Dhabih V; Jensen, Lasse
2016-12-13
Surface-enhanced hyper-Raman scattering (SEHRS) is the two-photon analogue of surface-enhanced Raman scattering (SERS), which has proven to be a powerful tool to study molecular structures and surface enhancements. However, few theoretical approaches to SEHRS exist and most neglect the atomistic descriptions of the metal surface and molecular resonance effects. In this work, we present two atomistic electrodynamics-quantum mechanical models to simulate SEHRS. The first is the discrete interaction model/quantum mechanical (DIM/QM) model, which combines an atomistic electrodynamics model of the nanoparticle with a time-dependent density functional theory description of the molecule. The second model is a dressed-tensors method that describes the molecule as a point-dipole and point-quadrupole object interacting with the enhanced local field and field-gradients (FG) from the nanoparticle. In both of these models, the resonance effects are treated efficiently by means of damped quadratic response theory. Using these methods, we simulate SEHRS spectra for benzene and pyridine. Our results show that the FG effects in SEHRS play an important role in determining both the surface selection rules and the enhancements. We find that FG effects are more important in SEHRS than in SERS. We also show that the spectral features of small molecules can be accurately described by accounting for the interactions between the molecule and the local field and FG of the nanoparticle. However, at short distances between the metal and molecule, we find significant differences in the SEHRS enhancements predicted using the DIM/QM and the dressed-tensors methods.
Directory of Open Access Journals (Sweden)
Pacheco de Carvalho, J. A.
2008-08-01
Full Text Available This article involves computer simulation and surface analysis by nuclear techniques, which are non-destructive. Both the “energy method of analysis” for nuclear reactions and elastic scattering are used. Energy spectra are computer simulated and compared with experimental data, giving target composition and concentration profile information. The method is successfully applied to thick flat targets of graphite, quartz and sapphire and targets containing thin films of aluminium oxide. Depth profiles of ^{12}C and ^{16}O nuclei are determined using (d,p and (d,α deuteron induced reactions. Rutherford and resonance elastic scattering of (^{4}He+ ions are also used.
Este artículo trata de simulación por ordenador y del análisis de superficies mediante técnicas nucleares, que son no destructivas. Se usa el “método de análisis en energia” para reacciones nucleares, así como el de difusión elástica. Se simulan en ordenador espectros en energía que se comparan com datos experimentales, de lo que resulta la obención de información sobre la composición y los perfiles de concentración de la muestra. Este método se aplica con éxito em muestras espesas y planas de grafito, cuarzo y zafiro y muestras conteniendo películas finas de óxido de aluminio. Se calculan perfiles en profundidad de núcleos de ^{12}C y de ^{16}O a través de reacciones (d,p y (d,α inducidas por deuterones. Se utiliza también la difusión elástica de iones (^{4}He+, tanto a Rutherford como resonante.
Directory of Open Access Journals (Sweden)
T. D. Borisova
Full Text Available Comparisons between bistatic scatter measurements and simulation results during the Tromsø HF pumping experiment on 16 February 1996 are made. Doppler measurements of an HF diagnostic signal scattered from the field-aligned irregularities (FAIs in the auroral E-region were carried out on the London – Tromsø – St. Petersburg path at 9410 kHz from 21:00 to 22:00 UT. The scattered signals were observed both from natural and artificial ionospheric irregularities located in the vicinity of Tromsø. To simulate the Doppler frequency shifts, f_{d} , of scattered signals, a radio channel model, named CONE, was developed. The model allows for ray tracing, group and phase paths, and Doppler frequency shift calculations. The calculated Doppler shifts were analyzed for dependence on the magnitude and direction of plasma velocities in the scattering volume. It was found that the velocity components in the north-south direction are crucial for explaining the Doppler frequency shifts of the scattered diagnostic signals. To simulate f_{d} , real velocities obtained from the EISCAT UHF radar at an altitude of 278 km and from the digital all-sky imager during the experiment were employed. The simulation results of Doppler frequency shift variations with time are in reasonable agreement with the experimental Doppler shifts of scattered signals on the London – Tromsø – St. Petersburg path.
Key words. Ionosphere (active experiments; ionospheric irregularities Radio science (ionospheric propagation
Maity, Srimanta; Das, Amita; Kumar, Sandeep; Tiwari, Sanat Kumar
2018-04-01
The collective response of the plasma medium is well known and has been explored extensively in the context of dusty plasma medium. On the other hand, the individual particle response associated with the collisional character giving rise to the dissipative phenomena has not been explored adequately. In this paper, two-dimensional molecular dynamics simulation of dust particles interacting via Yukawa potential has been considered. It has been shown that disturbances induced in a dust crystal elicit both collective and single particle responses. Generation of a few particles moving at speeds considerably higher than acoustic and/or shock speed (excited by the external disturbance) is observed. This is an indication of a single particle response. Furthermore, as these individual energetic particles propagate, the dust crystal is observed to crack along their path. Initially when the energy is high, these particles generate secondary energetic particles by the collisional scattering process. However, ultimately as these particles slow down they excite a collective response in the dust medium at secondary locations in a region which is undisturbed by the primary external disturbance. The condition when the cracking of the crystal stops and collective excitations get initiated has been identified quantitatively. The trailing collective primary disturbances would thus often encounter a disturbed medium with secondary and tertiary collective perturbations, thereby suffering significant modification in its propagation. It is thus clear that there is an interesting interplay (other than mere dissipation) between the single particle and collective response which governs the dynamics of any disturbance introduced in the medium.
Energy Technology Data Exchange (ETDEWEB)
Burch, Matthew J.; Fancher, Chris M.; Patala, Srikanth [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC (United States); De Graef, Marc [Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburg, PA (United States); Dickey, Elizabeth C. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC (United States)
2017-02-15
A novel technique, which directly and nondestructively maps polar domains using electron backscatter diffraction (EBSD) is described and demonstrated. Through dynamical diffraction simulations and quantitative comparison to experimental EBSD patterns, the absolute orientation of a non-centrosymmetric crystal can be determined. With this information, the polar domains of a material can be mapped. The technique is demonstrated by mapping the non-ferroelastic, or 180°, ferroelectric domains in periodically poled LiNbO{sub 3} single crystals. Further, the authors demonstrate the possibility of mapping polarity using this technique in other polar materials system. - Highlights: • A novel technique to directly polar domains utilizing EBSD is demonstrated. • The technique relies on dynamical diffraction simulations of EBSD patterns. • The technique is demonstrated by mapping 180° domains in LiNbO{sub 3} single crystals. • Further application of this technique to other materials classes is discussed.
Castellanos, Maria Monica
Aggregation of therapeutic proteins is currently one of the major challenges in the bio-pharmaceutical industry, because aggregates could induce immunogenic responses and compromise the quality of the product. Current scientific efforts, both in industry and academia, are focused on developing rational approaches to screen different drug candidates and predict their stability under different conditions. Moreover, aggregation is promoted in highly concentrated protein solutions, which are typically required for subcutaneous injection. In order to gain further understanding about the mechanisms that lead to aggregation, an approach that combined rheology, neutron scattering, and molecular simulations was undertaken. Two model systems were studied in this work: Bovine Serum Albumin in surfactant-free Phosphate Buffered Saline at pH = 7.4 at concentrations from 11 mg/mL up to ˜519 mg/mL, and a monoclonal antibody in 20 mM Histidine/Histidine Hydrochloride at pH = 6.0 with 60 mg/mL trehalose and 0.2 mg/mL polysorbate-80 at concentrations from 53 mg/mL up to ˜220 mg/mL. The antibody used here has three mutations in the CH2 domain, which result in lower stability upon incubation at 40 °C with respect to the wild-type protein, based on size-exclusion chromatography assays. This temperature is below 49 °C, where unfolding of the least stable, CH2 domain occurs, according to differential scanning calorimetry. This dissertation focuses on identifying the role of aggregation on the viscosity of protein solutions. The protein solutions of this work show an increase in the low shear viscosity in the absence of surfactants, because proteins adsorb at the air/water interface forming a viscoelastic film that affects the measured rheology. Stable surfactant-laden protein solutions behave as simple Newtonian fluids. However, the surfactant-laden antibody solution also shows an increase in the low shear viscosity from bulk aggregation, after prolonged incubation at 40 °C. Small
Aptowicz, K. B.; Pan, Y.; Martin, S.; Fernandez, E.; Chang, R.; Pinnick, R. G.
2013-12-01
We report upon an experimental approach that provides insight into how particle size and shape affect the scattering phase function of atmospheric aerosol particles. Central to our approach is the design of an apparatus that measures the forward and backward scattering hemispheres (scattering patterns) of individual atmospheric aerosol particles in the coarse mode range. The size and shape of each particle is discerned from the corresponding scattering pattern. In particular, autocorrelation analysis is used to differentiate between spherical and non-spherical particles, the calculated asphericity factor is used to characterize the morphology of non-spherical particles, and the integrated irradiance is used for particle sizing. We found the fraction of spherical particles decays exponentially with particle size, decreasing from 11% for particles on the order of 1 micrometer to less than 1% for particles over 5 micrometer. The average phase functions of subpopulations of particles, grouped by size and morphology, are determined by averaging their corresponding scattering patterns. The phase functions of spherical and non-spherical atmospheric particles are shown to diverge with increasing size. In addition, the phase function of non-spherical particles is found to vary little as a function of the asphericity factor.
Valdés, Felipe
2011-06-01
A new regularized single source equation for analyzing scattering from homogeneous penetrable objects is presented. The proposed equation is a linear combination of a Calderón-preconditioned single source electric field integral equation and a single source magnetic field integral equation. The equation is immune to low-frequency and dense-mesh breakdown, and free from spurious resonances. Unlike dual source formulations, this equation involves operator products that cannot be discretized using standard procedures for discretizing standalone electric, magnetic, and combined field operators. Instead, the single source equation proposed here is discretized using a recently developed technique that achieves a well-conditioned mapping from div- to curl-conforming function spaces, thereby fully respecting the space mapping properties of the operators involved, and guaranteeing accuracy and stability. Numerical results show that the proposed equation and discretization technique give rise to rapidly convergent solutions. They also validate the equation\\'s resonant free character. © 2006 IEEE.
International Nuclear Information System (INIS)
Rinkel, J.; Dinten, J.M.; Tabary, J.
2004-01-01
The use of focused anti-scatter grids on digital radiographic systems with two-dimensional detectors produces acquisitions with a decreased scatter to primary ratio and thus improved contrast and resolution. Simulation software is of great interest in optimizing grid configuration according to a specific application. Classical simulators are based on complete detailed geometric descriptions of the grid. They are accurate but very time consuming since they use Monte Carlo code to simulate scatter within the high-frequency grids. We propose a new practical method which couples an analytical simulation of the grid interaction with a radiographic system simulation program. First, a two dimensional matrix of probability depending on the grid is created offline, in which the first dimension represents the angle of impact with respect to the normal to the grid lines and the other the energy of the photon. This matrix of probability is then used by the Monte Carlo simulation software in order to provide the final scattered flux image. To evaluate the gain of CPU time, we define the increasing factor as the increase of CPU time of the simulation with as opposed to without the grid. Increasing factors were calculated with the new model and with classical methods representing the grid with its CAD model as part of the object. With the new method, increasing factors are shorter by one to two orders of magnitude compared with the second one. These results were obtained with a difference in calculated scatter of less than five percent between the new and the classical method. (authors)
International Nuclear Information System (INIS)
Hategan, Cornel; Comisel, Horia; Ionescu, Remus A.
2004-01-01
The quasiresonant scattering consists from a single channel resonance coupled by direct interaction transitions to some competing reaction channels. A description of quasiresonant Scattering, in terms of generalized reduced K-, R- and S- Matrix, is developed in this work. The quasiresonance's decay width is, due to channels coupling, smaller than the width of the ancestral single channel resonance (resonance's direct compression). (author)
Energy Technology Data Exchange (ETDEWEB)
Bae, Jun Woo; Kim, Hee Reyoung [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)
2016-06-15
The scattered photons cause reduction of the contrast of radiographic image and it results in the degradation of the quality of the image. In order to acquire better quality image, an anti-scattering x-ray gird should be equipped in radiography system. The X-ray anti-scattering grid of the inclined type based on the hybrid concept for that of parallel and focused type was tested by MCNP code. The MCNPX 2.7.0 was used for the simulation based test. The geometry for the test was based on the IEC 60627 which was an international standard for diagnostic X-ray imaging equipment-Characteristics of general purpose and mammographic anti-scatter grids. The performance of grids with four inclined shielding material types was compared with that of the parallel type. The grid with completely tapered type the best performance where there were little performance difference according to the degree of inclination.
Room temperature single-crystal diffuse scattering and ab initio lattice dynamics in CaTiSiO5.
Gutmann, M J; Refson, K; Zimmermann, M V; Swainson, I P; Dabkowski, A; Dabkowska, H
2013-08-07
Single-crystal diffuse scattering data have been collected at room temperature on synthetic titanite using both neutrons and high-energy x-rays. A simple ball-and-springs model reproduces the observed diffuse scattering well, confirming its origin to be primarily due to thermal motion of the atoms. Ab initio phonons are calculated using density-functional perturbation theory and are shown to reproduce the experimental diffuse scattering. The observed diffuse x-ray and neutron scattering patterns are consistent with a summation of mode frequencies and displacement eigenvectors associated with the entire phonon spectrum, rather than with a simple, short-range static displacement. A band gap is observed between 600 and 700 cm(-1) with only two modes crossing this region, both associated with antiferroelectric Ti-O motion along a. One of these modes (of Bu symmetry), displays a large LO-TO mode-splitting (562-701.4 cm(-1)) and has a dominant component coming from Ti-O bond-stretching and, thus, the mode-splitting is related to the polarizability of the Ti-O bonds along the chain direction. Similar mode-splitting is observed in piezo- and ferroelectric materials. The calculated phonon dispersion model may be of use to others in future to understand the phase transition at higher temperatures, as well as in the interpretation of measured phonon dispersion curves.
TCAD simulations for a novel single-photon avalanche diode
Jin, Xiangliang; Yang, Jia; Yang, Hongjiao; Tang, Lizhen; Liu, Weihui
2015-03-01
A single-photon avalanche diode (SPAD) device with P+-SEN junction, and a low concentration of N-type doping circular virtual guard-ring was presented in this paper. SEN layer of the proposed SPAD has high concentration of N-type doping, causing the SPAD low breakdown voltage (~14.26 V). What's more, an efficient and narrow (about 2μm) guard-ring of the proposed SPAD not only can withstand considerably higher electric fields for preventing edge breakdown, but also offers a little increment in fill factor compared with existing SPADs due to its small area. In addition, some Silvaco TCAD simulations have been done and verify characteristics and performance of the design in this work.
International Nuclear Information System (INIS)
Henry, L.J.; Rosenthal, M.S.
1992-01-01
We report results of scatter simulations for both point and distributed sources of 99m Tc in symmetrical non-uniform attenuating media. The simulations utilized Monte Carlo techniques and were tested against experimental phantoms. Both point and ring sources were used inside a 10.5 cm radius acrylic phantom. Attenuating media consisted of combinations of water, ground beef (to simulate muscle mass), air and bone meal (to simulate bone mass). We estimated/measured energy spectra, detector efficiencies and peak height ratios for all cases. In all cases, the simulated spectra agree with the experimentally measured spectra within 2 SD. Detector efficiencies and peak height ratios also are in agreement. The Monte Carlo code is able to properly model the non-uniform attenuating media used in this project. With verification of the simulations, it is possible to perform initial evaluation studies of scatter correction algorithms by evaluating the mechanisms of action of the correction algorithm on the simulated spectra where the magnitude and sources of scatter are known. (author)
Energy Technology Data Exchange (ETDEWEB)
Bordenave-Montesquieu, D.; Dagnac, R. (Toulouse-3 Univ., 31 (France). Centre de Physique Atomique)
1992-06-14
We studied the single-electron capture as well as the direct processes occurring when a He[sup 2+] ion is scattered by a He target. Doubly differential cross sections were measured for single-electron capture with a collision energy ranging from 2 to 8 keV and a scattering angle varying from 10' to 3[sup o]30' (laboratory frame). Single-electron capture into excited states of He[sup +] was found to be the dominant process, confirming a previous experimental study. Elastic scattering and ionization differential cross sections were measured for E = 6 keV. (Author).
International Nuclear Information System (INIS)
Bordenave-Montesquieu, D.; Dagnac, R.
1992-01-01
We studied the single-electron capture as well as the direct processes occurring when a He 2+ ion is scattered by a He target. Doubly differential cross sections were measured for single-electron capture with a collision energy ranging from 2 to 8 keV and a scattering angle varying from 10' to 3 o 30' (laboratory frame). Single-electron capture into excited states of He + was found to be the dominant process, confirming a previous experimental study. Elastic scattering and ionization differential cross sections were measured for E = 6 keV. (Author)
The structural and compositional analysis of single crystal surfaces using low energy ion scattering
International Nuclear Information System (INIS)
Armour, D.G.; Van der Berg, J.A.; Verheij, IL.K.
1979-01-01
The use of ion scattering for surface composition and structure analysis has been reviewed. The extreme surface specificity of this technique has been widely used to obtain quitative information in a straightforward way, but the/aolc/currence of charge exchange processes, thermal lattice vibrations and multiple scattering have precluded quantitative analysis of experimental data. Examples are quoted to illustrate the progress that has been made in understanding these fundamental processes and in applying this knowledge to the development of the analytical capabilities of the technique. (author)
Energy Technology Data Exchange (ETDEWEB)
de Almeida, Valmor F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Liu, Hongjun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Herwig, Kenneth W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kidder, Michelle [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2016-01-25
That incoherent scattering from protiated molecular liquids adds a constant background to the measured scattering intensity is well known, but less appreciated is the fact that coherent scattering is also induced by the presence of hydrogen in a deuterated liquid. In fact, the scattering intensity can be very sensitive, in the small-q region, with respect to the amounts and distribution of residual H in the system. We used 1,4-dioxane liquid to demonstrate that the partial structure factors of the HD and DD atom pairs contribute significantly to inter-molecular scattering and that uncertainty in the extent of deuteration account for discrepancies between simulations and measurements. Both contributions to uncertainty have similar magnitudes: scattering interference of the hydrogen-deuterium pair, and complementary interference from the deuterium-deuterium pair by virtue of chemical inhomogeneity. This situation arises in practice since deuteration of liquids is often 99% or less. A combined experimental and extensive computational study of static thermal neutron scattering of 1,4-dioxane demonstrates the foregoing. We show, through simulations, that the reason for the differences is the content of protiated dioxane (vendors quote 1%). We estimate that up to 5% (at 298K and at 343K) protiated mole fraction may be involved in generating the scattering differences. Finally, we find that the particular distribution of hydrogen in the protiated molecules affects the results significantly; here we considered molecules to be either fully protiated or fully deuterated. This scenario best reconciles the computational and experimental results, and leads us to speculate that the deuteration synthesis process tends to leave a molecule either fully deuterated or fully protiated. Although we have used 1,4-dioxane as a model liquid, the effects described in this study extend to similar liquids and similar systematic experimental/computational studies can be performed to either
Monte Carlo simulations of lattice models for single polymer systems
Hsu, Hsiao-Ping
2014-10-01
Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N ˜ O(10^4). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and sqrt{10}, we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior.
Monte Carlo simulations of lattice models for single polymer systems
International Nuclear Information System (INIS)
Hsu, Hsiao-Ping
2014-01-01
Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N∼O(10 4 ). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and √(10), we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior
Flexible single molecule simulation of reaction-diffusion processes
International Nuclear Information System (INIS)
Hellander, Stefan; Loetstedt, Per
2011-01-01
An algorithm is developed for simulation of the motion and reactions of single molecules at a microscopic level. The molecules diffuse in a solvent and react with each other or a polymer and molecules can dissociate. Such simulations are of interest e.g. in molecular biology. The algorithm is similar to the Green's function reaction dynamics (GFRD) algorithm by van Zon and ten Wolde where longer time steps can be taken by computing the probability density functions (PDFs) and then sample from the distribution functions. Our computation of the PDFs is much less complicated than GFRD and more flexible. The solution of the partial differential equation for the PDF is split into two steps to simplify the calculations. The sampling is without splitting error in two of the coordinate directions for a pair of molecules and a molecule-polymer interaction and is approximate in the third direction. The PDF is obtained either from an analytical solution or a numerical discretization. The errors due to the operator splitting, the partitioning of the system, and the numerical approximations are analyzed. The method is applied to three different systems involving up to four reactions. Comparisons with other mesoscopic and macroscopic models show excellent agreement.
International Nuclear Information System (INIS)
Aptowicz, Kevin B; Chang, Richard K
2005-01-01
Elastic light scattering from a single non-spherical particle of various morphologies has been measured simultaneously with a large angular range (90 deg. < θ < 165 deg. and 0 deg. < φ < 360 deg.) and with high angular resolution (1024 pixels in θ and 512 pixels in φ). Because the single-shot laser pulse is short (pulse duration of 70 ns), the tumbling and flowing particle can be treated as frozen in space. The large angle two-dimensional angular optical scattering (hereafter referred to as LA TAOS) intensity pattern, I(θ,φ), has been measured for a variety of particle morphology, such as the following: (1) single polystyrene latex (PSL) sphere; (2) cluster of PSL spheres; (3) single Bacillus subtilis (BG) spore; (4) cluster of BG spores; (5) dried aggregates of bio-aerosols as well as background clutter aerosols. All these measurements were made using the second harmonic of a Nd:YAG laser (0.532 μm). Islands structures in the LA TAOS patterns seem to be the prominent feature. Efforts are being made to extract metrics from these islands and compare them to theoretical results based on the T-matrix method
International Nuclear Information System (INIS)
Huddleston, A.L.; Weaver, J.
1980-01-01
Several methods important in the clinical diagnosis of skeletal diseases have been proposed for the determination of bone mass, such as photon absorptiometry, computed tomography, and neutron activation. None of these present methods provides for the determination of the physical density of bone. In the Radiological Physics Research Laboratory at the University of Virginia, the principles of Compton scattering are being investigated with the intent of determining the electron density and the physical density of human bone. A Compton-scatter densitometer has been constructed for the in vivo density determination of the femoral head. This technique utilizes of collimated low energy gamma source and detector system. The method has been tested in cadavers and in known density samples and has an accuracy of 2 %. A second densitometer has been designed for the in vivo determination of electron density of the vertebrae based upon a new technique which employs dual energy Compton scattering in the spinal column. These systems will be discussed; and the principles of dual energy Compton scatter densitometry will be presented. The importance of these isotope techniques and the feasibility of in vivo density determination in the vertebrae and femoral head will be discussed as they relate to clinical diagnosis and research. (author)
Polarized Raman scattering study of PSN single crystals and epitaxial thin films
Czech Academy of Sciences Publication Activity Database
Pokorný, Jan; Rafalovskyi, Iegor; Gregora, Ivan; Borodavka, Fedir; Savinov, Maxim; Drahokoupil, Jan; Tyunina, Marina; Kocourek, Tomáš; Jelínek, Miroslav; Bing, Y.; Ye, Z. -G.; Hlinka, Jiří
2015-01-01
Roč. 5, č. 2 (2015), "1550013-1"-"1550013-6" ISSN 2010-135X R&D Projects: GA ČR GA15-04121S; GA ČR GA15-15123S Institutional support: RVO:68378271 Keywords : PSN * relaxors * ferroelectrics * complex perovskites * Raman scattering Subject RIV: BM - Solid Matter Physics ; Magnetism
DEFF Research Database (Denmark)
Schleger, P.; Casalta, H.; Hadfield, R.
1995-01-01
We present measurements of Ortho-III phase correlations in an untwinned single crystal of YBa2Cu3O6.77 by neutron scattering and the novel method of hard (95 keV) X-ray scattering. The Ortho-III ordering is essentially two-dimensional, exhibiting Lorentzian peak shapes in the a-b plane. At room...
International Nuclear Information System (INIS)
Al-Asadi, H A; Mahdi, M A; Bakar, A A A; Adikan, F R Mahamd
2011-01-01
We present a theoretical study of nonlinear phase shift through stimulated Brillouin scattering in single mode optical fiber. Analytical expressions describing the nonlinear phase shift for the pump and Stokes waves in the pump power recycling technique have been derived. The dependence of the nonlinear phase shift on the optical fiber length, the reflectivity of the optical mirror and the frequency detuning coefficient have been analyzed for different input pump power values. We found that with the recycling pump technique, the nonlinear phase shift due to stimulated Brillouin scattering reduced to less than 0.1 rad for 5 km optical fiber length and 0.65 reflectivity of the optical mirror, respectively, at an input pump power equal to 30 mW
A portable high-field pulsed-magnet system for single-crystal x-ray scattering studies
International Nuclear Information System (INIS)
Islam, Zahirul; Lang, Jonathan C.; Ruff, Jacob P. C.; Ross, Kathryn A.; Gaulin, Bruce D.; Nojiri, Hiroyuki; Matsuda, Yasuhiro H.; Qu Zhe
2009-01-01
We present a portable pulsed-magnet system for x-ray studies of materials in high magnetic fields (up to 30 T). The apparatus consists of a split-pair of minicoils cooled on a closed-cycle cryostat, which is used for x-ray diffraction studies with applied field normal to the scattering plane. A second independent closed-cycle cryostat is used for cooling the sample to near liquid helium temperatures. Pulsed magnetic fields (∼1 ms in total duration) are generated by discharging a configurable capacitor bank into the magnet coils. Time-resolved scattering data are collected using a combination of a fast single-photon counting detector, a multichannel scaler, and a high-resolution digital storage oscilloscope. The capabilities of this instrument are used to study a geometrically frustrated system revealing strong magnetostrictive effects in the spin-liquid state.
Wang, Qiang; Renema, Jelmer J; Engel, Andreas; van Exter, Martin P; de Dood, Michiel J A
2015-09-21
We propose an experiment to directly probe the local response of a superconducting single photon detector using a sharp metal tip in a scattering scanning near-field optical microscope. The optical absorption is obtained by simulating the tip-detector system, where the tip-detector is illuminated from the side, with the tip functioning as an optical antenna. The local detection efficiency is calculated by considering the recently introduced position-dependent threshold current in the detector. The calculated response for a 150 nm wide detector shows a peak close to the edge that can be spatially resolved with an estimated resolution of ∼ 20 nm, using a tip with parameters that are experimentally accessible.
Lattice models for large-scale simulations of coherent wave scattering
Wang, Shumin; Teixeira, Fernando L.
2004-01-01
Lattice approximations for partial differential equations describing physical phenomena are commonly used for the numerical simulation of many problems otherwise intractable by pure analytical approaches. The discretization inevitably leads to many of the original symmetries to be broken or modified. In the case of Maxwell’s equations for example, invariance and isotropy of the speed of light in vacuum is invariably lost because of the so-called grid dispersion. Since it is a cumulative effect, grid dispersion is particularly harmful for the accuracy of results of large-scale simulations of scattering problems. Grid dispersion is usually combated by either increasing the lattice resolution or by employing higher-order schemes with larger stencils for the space and time derivatives. Both alternatives lead to increased computational cost to simulate a problem of a given physical size. Here, we introduce a general approach to develop lattice approximations with reduced grid dispersion error for a given stencil (and hence at no additional computational cost). The present approach is based on first obtaining stencil coefficients in the Fourier domain that minimize the maximum grid dispersion error for wave propagation at all directions (minimax sense). The resulting coefficients are then expanded into a Taylor series in terms of the frequency variable and incorporated into time-domain (update) equations after an inverse Fourier transformation. Maximally flat (Butterworth) or Chebyshev filters are subsequently used to minimize the wave speed variations for a given frequency range of interest. The use of such filters also allows for the adjustment of the grid dispersion characteristics so as to minimize not only the local dispersion error but also the accumulated phase error in a frequency range of interest.
Hemphill, Ashton S.; Shen, Yuecheng; Liu, Yan; Wang, Lihong V.
2017-11-01
In biological applications, optical focusing is limited by the diffusion of light, which prevents focusing at depths greater than ˜1 mm in soft tissue. Wavefront shaping extends the depth by compensating for phase distortions induced by scattering and thus allows for focusing light through biological tissue beyond the optical diffusion limit by using constructive interference. However, due to physiological motion, light scattering in tissue is deterministic only within a brief speckle correlation time. In in vivo tissue, this speckle correlation time is on the order of milliseconds, and so the wavefront must be optimized within this brief period. The speed of digital wavefront shaping has typically been limited by the relatively long time required to measure and display the optimal phase pattern. This limitation stems from the low speeds of cameras, data transfer and processing, and spatial light modulators. While binary-phase modulation requiring only two images for the phase measurement has recently been reported, most techniques require at least three frames for the full-phase measurement. Here, we present a full-phase digital optical phase conjugation method based on off-axis holography for single-shot optical focusing through scattering media. By using off-axis holography in conjunction with graphics processing unit based processing, we take advantage of the single-shot full-phase measurement while using parallel computation to quickly reconstruct the phase map. With this system, we can focus light through scattering media with a system latency of approximately 9 ms, on the order of the in vivo speckle correlation time.
Freedman, A.; Onasch, T. B.; Renbaum-Wollf, L.; Lambe, A. T.; Davidovits, P.; Kebabian, P. L.
2015-12-01
Accurate, as compared to precise, measurement of aerosol absorption has always posed a significant problem for the particle radiative properties community. Filter-based instruments do not actually measure absorption but rather light transmission through the filter; absorption must be derived from this data using multiple corrections. The potential for matrix-induced effects is also great for organic-laden aerosols. The introduction of true in situ measurement instruments using photoacoustic or photothermal interferometric techniques represents a significant advance in the state-of-the-art. However, measurement artifacts caused by changes in humidity still represent a significant hurdle as does the lack of a good calibration standard at most measurement wavelengths. And, in the absence of any particle-based absorption standard, there is no way to demonstrate any real level of accuracy. We, along with others, have proposed that under the circumstance of low single scattering albedo (SSA), absorption is best determined by difference using measurement of total extinction and scattering. We discuss a robust, compact, field deployable instrument (the CAPS PMssa) that simultaneously measures airborne particle light extinction and scattering coefficients and thus the single scattering albedo (SSA) on the same sample volume. The extinction measurement is based on cavity attenuated phase shift (CAPS) techniques as employed in the CAPS PMex particle extinction monitor; scattering is measured using integrating nephelometry by incorporating a Lambertian integrating sphere within the sample cell. The scattering measurement is calibrated using the extinction measurement of non-absorbing particles. For small particles and low SSA, absorption can be measured with an accuracy of 6-8% at absorption levels as low as a few Mm-1. We present new results of the measurement of the mass absorption coefficient (MAC) of soot generated by an inverted methane diffusion flame at 630 nm. A value
International Nuclear Information System (INIS)
Kirsch, Robert.
1975-01-01
Some aspects of thin crystalline layers are reminded: vacuum deposition, epitaxial growth, annealing and interdiffusion ion channeling and scattering of 1-2MeV helium ions are used to study the crystalline quality, the annealing effects and in some cases the interdiffusion in epitaxial multilayers of silver, copper gold and nickel. Thin single-crystals of gold and nickel oriented (III) plan parallel to the surface were obtained by successive epitaxial growth from muscovite mica clivages. The mounting techniques of single crystalline, self-supporting, 300 to 1200 Angstroems thick, gold and nickel targets of 3mm diameter are described. The gold single-crystals have dislocation densities of 10 8 cm -2 and the various epitaxial layers are obtained without twinning [fr
Probing single magnon excitations in Sr₂IrO₄ using O K-edge resonant inelastic x-ray scattering.
Liu, X; Dean, M P M; Liu, J; Chiuzbăian, S G; Jaouen, N; Nicolaou, A; Yin, W G; Rayan Serrao, C; Ramesh, R; Ding, H; Hill, J P
2015-05-27
Resonant inelastic x-ray scattering (RIXS) at the L-edge of transition metal elements is now commonly used to probe single magnon excitations. Here we show that single magnon excitations can also be measured with RIXS at the K-edge of the surrounding ligand atoms when the center heavy metal elements have strong spin-orbit coupling. This is demonstrated with oxygen K-edge RIXS experiments on the perovskite Sr2IrO4, where low energy peaks from single magnon excitations were observed. This new application of RIXS has excellent potential to be applied to a wide range of magnetic systems based on heavy elements, for which the L-edge RIXS energy resolution in the hard x-ray region is usually poor.
International Nuclear Information System (INIS)
Cunha, Diego M.; Tomal, Alessandra; Poletti, Martin E.
2009-01-01
In this work, a computational code was developed for the study of image quality in screen-film mammography through Monte Carlo (MC) simulations. The code includes implementation of interference and energy broadening effects, for the elastic and inelastic scattered photons, respectively. The contribution of scattered photons to the mammographic image was evaluated through the ratio between the energy deposited in the image receptor by scattered and primary photons (S/P ratio). The spatial distribution of the S1P ratio on the receptor was obtained for breasts of different thickness, between 2 and 8cm, considering a 50% adipose-SO% glandular breast. Different tube voltages were evaluated, for a Mo/Mo anode-filter combination. The S/P ratio was a/so obtained considering two different grids: a linear grid (grid ratio of 5:1) and a cellular grid (grid ratio of 3.8:1). Grid performance was computed through the contrast improvement factor (CIF) and Bucky factor (BF). Results showed that the S/P ratio increases linearly with breast thickness, and, for a given thickness, it showed considerably spatial variations on the image receptor. On the other hand, little dependence of the S/P ratio on the tube voltage was observed. Grid comparison showed that the cellular grid has better performance than the linear one, since it provides a greater CIF, with smaller values of BF. (author)
Infrared dispersion analysis and Raman scattering spectra of taurine single crystals
Moreira, Roberto L.; Lobo, Ricardo P. S. M.; Dias, Anderson
2018-01-01
A comprehensive set of optical vibrational modes of monoclinic taurine crystals was determined by Raman scattering, and infrared reflectivity and transmission spectroscopies. By using appropriate scattering/reflection geometries, the vibrational modes were resolved by polarization and the most relevant modes of the crystal could be assigned. In particular, we were able to review the symmetry of the gerade modes and to resolve ambiguities in the literature. Owing to the non-orthogonal character of Bu modes in monoclinic crystals (lying on the optic axial plane), we carried out a generalized Lorentz dispersion analysis consisting of simultaneous adjust of infrared-reflectivity spectra at various light polarization angles. The Au modes (parallel to the C2-axis) were treated within the classical Lorentz model. The behavior of off-diagonal and diagonal terms of the complex dielectric tensors and the presence of anomalous dispersion were discussed as consequences of the low symmetry of the crystal.
Development of single shot 1D-Raman scattering measurements for flames
Biase, Amelia; Uddi, Mruthunjaya
2017-11-01
The majority of energy consumption in the US comes from burning fossil fuels which increases the concentration of carbon dioxide in the atmosphere. The increasing concentration of carbon dioxide in the atmosphere has negative impacts on the environment. One solution to this problem is to study the oxy-combustion process. A pure oxygen stream is used instead of air for combustion. Products contain only carbon dioxide and water. It is easy to separate water from carbon dioxide by condensation and the carbon dioxide can be captured easily. Lower gas volume allows for easier removal of pollutants from the flue gas. The design of a system that studies the oxy-combustion process using advanced laser diagnostic techniques and Raman scattering measurements is presented. The experiments focus on spontaneous Raman scattering. This is one of the few techniques that can provide quantitative measurements of the concentration and temperature of different chemical species in a turbulent flow. The experimental design and process of validating the design to ensure the data is accurate is described. The Raman data collected form an experimental data base that is used for the validation of spontaneous Raman scattering in high pressure environments for the oxy-combustion process. NSF EEC 1659710.
International Nuclear Information System (INIS)
Mickael, M.; Gardner, R.P.; Verghese, K.
1988-01-01
An improved method for calculating the total probability of particle scattering within the solid angle subtended by finite detectors is developed, presented, and tested. The limiting polar and azimuthal angles subtended by the detector are measured from the direction that most simplifies their calculation rather than from the incident particle direction. A transformation of the particle scattering probability distribution function (pdf) is made to match the transformation of the direction from which the limiting angles are measured. The particle scattering probability to the detector is estimated by evaluating the integral of the transformed pdf over the range of the limiting angles measured from the preferred direction. A general formula for transforming the particle scattering pdf is derived from basic principles and applied to four important scattering pdf's; namely, isotropic scattering in the Lab system, isotropic neutron scattering in the center-of-mass system, thermal neutron scattering by the free gas model, and gamma-ray Klein-Nishina scattering. Some approximations have been made to these pdf's to enable analytical evaluations of the final integrals. These approximations are shown to be valid over a wide range of energies and for most elements. The particle scattering probability to spherical, planar circular, and right circular cylindrical detectors has been calculated using the new and previously reported direct approach. Results indicate that the new approach is valid and is computationally faster by orders of magnitude
DEFF Research Database (Denmark)
Hervig, K.W.; Wu, Z.; Dai, P.
1997-01-01
Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed...... comparison with experiment, quasielastic spectra calculated from the MD simulations were analyzed using the same models and fitting algorithms as for the neutron spectra. This combination of techniques gives a microscopic picture of the melting process in these two monolayers which is consistent with earlier...... neutron diffraction experiments. Butane melts abruptly to a liquid phase where the molecules in the trans conformation translationally diffuse while rotating about their center of mass. In the case of the hexane monolayer, the MD simulations show that the appearance of quasielastic scattering below T...
International Nuclear Information System (INIS)
Malikova, N.
2005-09-01
Montmorillonite clays in low hydration states, with Na + and Cs + compensating counter ions, are investigated by a combination of microscopic simulation and quasi-elastic neutron scattering to obtain information on the local structure and dynamics of water and ions in the interlayer. At first predictions of simulation into the dynamics of water and ions at elevate temperatures are shown (0 deg C 80 deg C, pertinent for the radioactive waste disposal scenario) Marked difference is observed between the modes of diffusion of the Na + and C + counter ions. In water dynamics, a significant step towards bulk water behaviour is seen on transition from the mono- to bilayer states. Secondly, a detailed comparison between simulation and quasi-elastic neutron scattering (Neutron Spin Echo and Time-of-Flight) regarding ambient temperature water dynamics is presented. Overall, the approaches are found to be in good agreement with each other and limitations of each of the methods are clearly shown. (author)
3D nanostar dimers with a sub-10-nm gap for single-/few-molecule surface-enhanced raman scattering
Chirumamilla, Manohar
2014-01-22
Plasmonic nanostar-dimers, decoupled from the substrate, have been fabricated by combining electron-beam lithography and reactive-ion etching techniques. The 3D architecture, the sharp tips of the nanostars and the sub-10 nm gap size promote the formation of giant electric-field in highly localized hot-spots. The single/few molecule detection capability of the 3D nanostar-dimers has been demonstrated by Surface-Enhanced Raman Scattering. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
3D nanostar dimers with a sub-10-nm gap for single-/few-molecule surface-enhanced raman scattering
Chirumamilla, Manohar; Toma, Andrea; Gopalakrishnan, Anisha; Das, Gobind; Proietti Zaccaria, Remo; Krahne, Roman; Rondanina, Eliana; Leoncini, Marco; Liberale, Carlo; De Angelis, Francesco De; Di Fabrizio, Enzo M.
2014-01-01
Plasmonic nanostar-dimers, decoupled from the substrate, have been fabricated by combining electron-beam lithography and reactive-ion etching techniques. The 3D architecture, the sharp tips of the nanostars and the sub-10 nm gap size promote the formation of giant electric-field in highly localized hot-spots. The single/few molecule detection capability of the 3D nanostar-dimers has been demonstrated by Surface-Enhanced Raman Scattering. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
International Nuclear Information System (INIS)
Iwinski, Z.R.; Rosenberg, L.; Spruch, L.
1986-01-01
For potential scattering, with delta/sub L/(k) the phase shift modulo π for an incident wave number k, Levinson's theorem gives delta/sub L/(0)-delta/sub L/(infinity) in terms of N/sub L/, the number of bound states of angular momentum L, for delta/sub L/(k) assumed to be a continuous function of k. N/sub L/ also determines the number of nodes of the zero-energy wave function u/sub L/(r). A knowledge of the nodal structure and of the absolute value of delta/sub L/(0) is very useful in theoretical studies of low-energy potential scattering. Two preliminary attempts, one formal and one ''physical,'' are made to extend the above results to single-channel scattering by a compound system initially in its ground state. The nodal structure will be of greater interest to us here than an extension of Levinson's theorem
Coherent control of the single-photon multichannel scattering in the dissipation case
Shi, Yun-Xia; Wang, Hang-Yu; Ma, Jin-Lou; Li, Qing; Tan, Lei
2018-03-01
Based on the quasi-boson approach, a model of a Λ-type three-level atom coupled to a X-shaped coupled cavity arrays (CCAs) is used to study the transport properties of a single-photon in the dissipative case, and a classical field is introduced to motivate the one transition of the Λ-type three-level atom (ΛTLA). The analytical expressions of transmission and transfer rate are obtained. Our results show that the cavity dissipation will obviously weaken the single-photon transfer rate where the incident energy of the single photon is resonant with the excited energy of the atom. Whether the cavity dissipation exists or not, the single photon can be almost confined in the incident channel at large detuning, and we can regulate the intensity of the classical field to control the total transmission of the single-photon.
International Nuclear Information System (INIS)
Thing, Rune S.; Bernchou, Uffe; Brink, Carsten; Mainegra-Hing, Ernesto
2013-01-01
Purpose: Cone beam computed tomography (CBCT) image quality is limited by scattered photons. Monte Carlo (MC) simulations provide the ability of predicting the patient-specific scatter contamination in clinical CBCT imaging. Lengthy simulations prevent MC-based scatter correction from being fully implemented in a clinical setting. This study investigates the combination of using fast MC simulations to predict scatter distributions with a ray tracing algorithm to allow calibration between simulated and clinical CBCT images. Material and methods: An EGSnrc-based user code (egs c bct), was used to perform MC simulations of an Elekta XVI CBCT imaging system. A 60keV x-ray source was used, and air kerma scored at the detector plane. Several variance reduction techniques (VRTs) were used to increase the scatter calculation efficiency. Three patient phantoms based on CT scans were simulated, namely a brain, a thorax and a pelvis scan. A ray tracing algorithm was used to calculate the detector signal due to primary photons. A total of 288 projections were simulated, one for each thread on the computer cluster used for the investigation. Results: Scatter distributions for the brain, thorax and pelvis scan were simulated within 2 % statistical uncertainty in two hours per scan. Within the same time, the ray tracing algorithm provided the primary signal for each of the projections. Thus, all the data needed for MC-based scatter correction in clinical CBCT imaging was obtained within two hours per patient, using a full simulation of the clinical CBCT geometry. Conclusions: This study shows that use of MC-based scatter corrections in CBCT imaging has a great potential to improve CBCT image quality. By use of powerful VRTs to predict scatter distributions and a ray tracing algorithm to calculate the primary signal, it is possible to obtain the necessary data for patient specific MC scatter correction within two hours per patient
Energy Technology Data Exchange (ETDEWEB)
Song, Guo-Zhu; Zhang, Mei; Ai, Qing; Yang, Guo-Jian [Department of Physics, Applied Optics Beijing Area Major Laboratory, Beijing Normal University, Beijing 100875 (China); Alsaedi, Ahmed; Hobiny, Aatef [NAAM-Research Group, Department of Mathematics, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); Deng, Fu-Guo, E-mail: fgdeng@bnu.edu.cn [Department of Physics, Applied Optics Beijing Area Major Laboratory, Beijing Normal University, Beijing 100875 (China); NAAM-Research Group, Department of Mathematics, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia)
2017-03-15
We propose a heralded quantum repeater based on the scattering of photons off single emitters in one-dimensional waveguides. We show the details by implementing nonlocal entanglement generation, entanglement swapping, and entanglement purification modules with atoms in waveguides, and discuss the feasibility of the repeater with currently achievable technology. In our scheme, the faulty events can be discarded by detecting the polarization of the photons. That is, our protocols are accomplished with a fidelity of 100% in principle, which is advantageous for implementing realistic long-distance quantum communication. Moreover, additional atomic qubits are not required, but only a single-photon medium. Our scheme is scalable and attractive since it can be realized in solid-state quantum systems. With the great progress on controlling atom-waveguide systems, the repeater may be very useful in quantum information processing in the future.
Energy Technology Data Exchange (ETDEWEB)
Waidyawansa, Dinayadura Buddhini [Ohio Univ., Athens, OH (United States)
2013-08-01
The beam normal single spin asymmetry generated in the scattering of transversely polarized electrons from unpolarized nucleons is an observable of the imaginary part of the two-photon exchange process. Moreover, it is a potential source of false asymmetry in parity violating electron scattering experiments. The Q{sub weak} experiment uses parity violating electron scattering to make a direct measurement of the weak charge of the proton. The targeted 4% measurement of the weak charge of the proton probes for parity violating new physics beyond the Standard Model. The beam normal single spin asymmetry at Q{sub weak} kinematics is at least three orders of magnitude larger than 5 ppb precision of the parity violating asymmetry. To better understand this parity conserving background, the Q{sub weak} Collaboration has performed elastic scattering measurements with fully transversely polarized electron beam on the proton and aluminum. This dissertation presents the analysis of the 3% measurement (1.3% statistical and 2.6% systematic) of beam normal single spin asymmetry in electronproton scattering at a Q2 of 0.025 (GeV/c)2. It is the most precise existing measurement of beam normal single spin asymmetry available at the time. A measurement of this precision helps to improve the theoretical models on beam normal single spin asymmetry and thereby our understanding of the doubly virtual Compton scattering process.
Paiva, Joana S; Ribeiro, Rita S R; Cunha, João P S; Rosa, Carla C; Jorge, Pedro A S
2018-02-27
Recent trends on microbiology point out the urge to develop optical micro-tools with multifunctionalities such as simultaneous manipulation and sensing. Considering that miniaturization has been recognized as one of the most important paradigms of emerging sensing biotechnologies, optical fiber tools, including Optical Fiber Tweezers (OFTs), are suitable candidates for developing multifunctional small sensors for Medicine and Biology. OFTs are flexible and versatile optotools based on fibers with one extremity patterned to form a micro-lens. These are able to focus laser beams and exert forces onto microparticles strong enough (piconewtons) to trap and manipulate them. In this paper, through an exploratory analysis of a 45 features set, including time and frequency-domain parameters of the back-scattered signal of particles trapped by a polymeric lens, we created a novel single feature able to differentiate synthetic particles (PMMA and Polystyrene) from living yeasts cells. This single statistical feature can be useful for the development of label-free hybrid optical fiber sensors with applications in infectious diseases detection or cells sorting. It can also contribute, by revealing the most significant information that can be extracted from the scattered signal, to the development of a simpler method for particles characterization (in terms of composition, heterogeneity degree) than existent technologies.
Very large solid angle spectrometer for single arm electron scattering experiments
International Nuclear Information System (INIS)
Leconte, P.
1981-01-01
Major information about short range behavior of nuclear forces should be obtained through electron scattering experiments at high momentum transfer. Cross sections will be very low as is usually the case in electron scattering. In order to reach them, the solid angle of the detection system will have to be enlarged. Traditional optics cannot give correct answer to the problem. For very large apertures, it is impossible to obtain good focussing properties which provide accurate momentum/position correlation with no dependence on the entrance angles. Furthermore, the experiment will require the measurement of these angles. It means that the final system will be equipped with a complete set of position sensitive detectors able to measure positions and angles of trajectories in both planes. Then, the question arises: is it really necessary to provide good focussing, or more precisely: is it possible to get all the required information without the help of a sophisticated predetermined magnetic optics. We try to answer this question and then to sketch from a new point of view the best spectrometer we could think of
Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Prum, Richard O.; Mochrie, Simon G. J.; Dufresne, Eric R.; Cao, Hui
2010-05-01
We measured the polarization- and angle-resolved optical scattering and reflection spectra of the quasiordered nanostructures in the bird feather barbs. In addition to the primary peak that originates from single scattering, we observed a secondary peak which exhibits depolarization and distinct angular dispersion. We explained the secondary peak in terms of double scattering, i.e., light is scattered successively twice by the structure. The two sequential single-scattering events are considered uncorrelated. Using the Fourier power spectra of the nanostructures obtained from the small-angle x-ray scattering experiment, we calculated the double scattering of light in various directions. The double-scattering spectrum is broader than the single-scattering spectrum, and it splits into two subpeaks at larger scattering angle. The good agreement between the simulation results and the experimental data confirms that double scattering of light makes a significant contribution to the structural color.
Energy Technology Data Exchange (ETDEWEB)
Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Prum, Richard O.; Mochrie, Simon G.J.; Dufresne, Eric R.; Cao, Hui (Yale)
2010-07-28
We measured the polarization- and angle-resolved optical scattering and reflection spectra of the quasiordered nanostructures in the bird feather barbs. In addition to the primary peak that originates from single scattering, we observed a secondary peak which exhibits depolarization and distinct angular dispersion. We explained the secondary peak in terms of double scattering, i.e., light is scattered successively twice by the structure. The two sequential single-scattering events are considered uncorrelated. Using the Fourier power spectra of the nanostructures obtained from the small-angle x-ray scattering experiment, we calculated the double scattering of light in various directions. The double-scattering spectrum is broader than the single-scattering spectrum, and it splits into two subpeaks at larger scattering angle. The good agreement between the simulation results and the experimental data confirms that double scattering of light makes a significant contribution to the structural color.
Energy Technology Data Exchange (ETDEWEB)
Kim, Kyungsang; Ye, Jong Chul, E-mail: jong.ye@kaist.ac.kr [Bio Imaging and Signal Processing Laboratory, Department of Bio and Brain Engineering, KAIST 291, Daehak-ro, Yuseong-gu, Daejeon 34141 (Korea, Republic of); Lee, Taewon; Cho, Seungryong [Medical Imaging and Radiotherapeutics Laboratory, Department of Nuclear and Quantum Engineering, KAIST 291, Daehak-ro, Yuseong-gu, Daejeon 34141 (Korea, Republic of); Seong, Younghun; Lee, Jongha; Jang, Kwang Eun [Samsung Advanced Institute of Technology, Samsung Electronics, 130, Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, 443-803 (Korea, Republic of); Choi, Jaegu; Choi, Young Wook [Korea Electrotechnology Research Institute (KERI), 111, Hanggaul-ro, Sangnok-gu, Ansan-si, Gyeonggi-do, 426-170 (Korea, Republic of); Kim, Hak Hee; Shin, Hee Jung; Cha, Joo Hee [Department of Radiology and Research Institute of Radiology, Asan Medical Center, University of Ulsan College of Medicine, 88 Olympic-ro, 43-gil, Songpa-gu, Seoul, 138-736 (Korea, Republic of)
2015-09-15
Purpose: In digital breast tomosynthesis (DBT), scatter correction is highly desirable, as it improves image quality at low doses. Because the DBT detector panel is typically stationary during the source rotation, antiscatter grids are not generally compatible with DBT; thus, a software-based scatter correction is required. This work proposes a fully iterative scatter correction method that uses a novel fast Monte Carlo simulation (MCS) with a tissue-composition ratio estimation technique for DBT imaging. Methods: To apply MCS to scatter estimation, the material composition in each voxel should be known. To overcome the lack of prior accurate knowledge of tissue composition for DBT, a tissue-composition ratio is estimated based on the observation that the breast tissues are principally composed of adipose and glandular tissues. Using this approximation, the composition ratio can be estimated from the reconstructed attenuation coefficients, and the scatter distribution can then be estimated by MCS using the composition ratio. The scatter estimation and image reconstruction procedures can be performed iteratively until an acceptable accuracy is achieved. For practical use, (i) the authors have implemented a fast MCS using a graphics processing unit (GPU), (ii) the MCS is simplified to transport only x-rays in the energy range of 10–50 keV, modeling Rayleigh and Compton scattering and the photoelectric effect using the tissue-composition ratio of adipose and glandular tissues, and (iii) downsampling is used because the scatter distribution varies rather smoothly. Results: The authors have demonstrated that the proposed method can accurately estimate the scatter distribution, and that the contrast-to-noise ratio of the final reconstructed image is significantly improved. The authors validated the performance of the MCS by changing the tissue thickness, composition ratio, and x-ray energy. The authors confirmed that the tissue-composition ratio estimation was quite
Monte Carlo simulation and scatter correction of the GE Advance PET scanner with SimSET and Geant4
International Nuclear Information System (INIS)
Barret, Olivier; Carpenter, T Adrian; Clark, John C; Ansorge, Richard E; Fryer, Tim D
2005-01-01
For Monte Carlo simulations to be used as an alternative solution to perform scatter correction, accurate modelling of the scanner as well as speed is paramount. General-purpose Monte Carlo packages (Geant4, EGS, MCNP) allow a detailed description of the scanner but are not efficient at simulating voxel-based geometries (patient images). On the other hand, dedicated codes (SimSET, PETSIM) will perform well for voxel-based objects but will be poor in their capacity of simulating complex geometries such as a PET scanner. The approach adopted in this work was to couple a dedicated code (SimSET) with a general-purpose package (Geant4) to have the efficiency of the former and the capabilities of the latter. The combined SimSET+Geant4 code (SimG4) was assessed on the GE Advance PET scanner and compared to the use of SimSET only. A better description of the resolution and sensitivity of the scanner and of the scatter fraction was obtained with SimG4. The accuracy of scatter correction performed with SimG4 and SimSET was also assessed from data acquired with the 20 cm NEMA phantom. SimG4 was found to outperform SimSET and to give slightly better results than the GE scatter correction methods installed on the Advance scanner (curve fitting and scatter modelling for the 300-650 keV and 375-650 keV energy windows, respectively). In the presence of a hot source close to the edge of the field of view (as found in oxygen scans), the GE curve-fitting method was found to fail whereas SimG4 maintained its performance
Devrient, M.; Da, X.; Frick, T.; Schmidt, M.
Laser transmission welding is a well known joining technology for thermoplastics. Because of the needs of lightweight, cost effective and green production thermoplastics are usually filled with glass fibers. These lead to higher absorption and more scattering within the upper joining partner with a negative influence on the welding process. Here an experimental method for the characterization of the scattering behavior of semi crystalline thermoplastics filled with short glass fibers and a finite element model of the welding process capable to consider scattering as well as an analytical model are introduced. The experimental data is used for the numerical and analytical investigation of laser transmission welding under consideration of scattering. The scattering effects of several thermoplastics onto the calculated temperature fields as well as weld seam geometries are quantified.
International Nuclear Information System (INIS)
Liu Li; Mishchenko, Michael I.; Cairns, Brian; Carlson, Barbara E.; Travis, Larry D.
2006-01-01
In this study, we model single-scattering properties of small cirrus crystals using mixtures of polydisperse, randomly oriented spheroids and cylinders with varying aspect ratios and with a refractive index representative of water ice at a wavelength of 1.88 μm. The Stokes scattering matrix elements averaged over wide shape distributions of spheroids and cylinders are compared with those computed for polydisperse surface-equivalent spheres. The shape-averaged phase function for a mixture of oblate and prolate spheroids is smooth, featureless, and nearly flat at side-scattering angles and closely resembles those typically measured for cirrus. Compared with the ensemble-averaged phase function for spheroids, that for a shape distribution of cylinders shows a relatively deeper minimum at side-scattering angles. This may indicate that light scattering from realistic cirrus crystals can be better represented by a shape mixture of ice spheroids. Interestingly, the single-scattering properties of shape-averaged oblate and prolate cylinders are very similar to those of compact cylinders with a diameter-to-length ratio of unity. The differences in the optical cross sections, single-scattering albedo, and asymmetry parameter between the spherical and the nonspherical particles studied appear to be relatively small. This may suggest that for a given optical thickness, the influence of particle shape on the radiative forcing caused by a cloud composed of small ice crystals can be negligible
International Nuclear Information System (INIS)
Larsson, S.A.; Johansson, L.; Jonsson, C.; Pagani, M.; Jacobsson, H.
2000-01-01
A newly designed technique for experimental single-photon emission tomography (SPET) and positron emission tomography (PET) data acquisition with minor disturbing effects from scatter and attenuation has been developed. In principle, the method is based on discrete sampling of the radioactivity distribution in 3D objects by means of equidistant 2D planes. The starting point is a set of digitised 2D sections representing the radioactivity distribution of the 3D object. Having a radioactivity-related grey scale, the 2D images are printed on paper sheets using radioactive ink. The radioactive sheets can be shaped to the outline of the object and stacked into a 3D structure with air or some arbitrary dense material in between. For this work, equidistantly spaced transverse images of a uniform cylindrical phantom and of the digitised Hoffman rCBF phantom were selected and printed out on paper sheets. The uniform radioactivity sheets were imaged on the surface of a low-energy ultra-high-resolution collimator (4 mm full-width at half-maximum) of a three-headed SPET camera. The reproducibility was 0.7% and the uniformity was 1.2%. Each rCBF sheet, containing between 8.3 and 80 MBq of 99m TcO 4 - depending on size, was first imaged on the collimator and then stacked into a 3D structure with constant 12 mm air spacing between the slices. SPET was performed with the sheets perpendicular to the central axis of the camera. The total weight of the stacked rCBF phantom in air was 63 g, giving a scatter contribution comparable to that of a point source in air. The overall attenuation losses were <20%. A second SPET study was performed with 12-mm polystyrene plates in between the radioactive sheets. With polystyrene plates, the total phantom weight was 2300 g, giving a scatter and attenuation magnitude similar to that of a patient study. With the proposed technique, it is possible to obtain ''ideal'' experimental images (essentially built up by primary photons) for comparison with
Abramo, M C; Caccamo, C; Costa, D; Pellicane, G; Ruberto, R; Wanderlingh, U
2012-01-21
We report protein-protein structure factors of aqueous lysozyme solutions at different pH and ionic strengths, as determined by small-angle neutron scattering experiments. The observed upturn of the structure factor at small wavevectors, as the pH increases, marks a crossover between two different regimes, one dominated by repulsive forces, and another one where attractive interactions become prominent, with the ensuing development of enhanced density fluctuations. In order to rationalize such experimental outcome from a microscopic viewpoint, we have carried out extensive simulations of different coarse-grained models. We have first studied a model in which macromolecules are described as soft spheres interacting through an attractive r(-6) potential, plus embedded pH-dependent discrete charges; we show that the uprise undergone by the structure factor is qualitatively predicted. We have then studied a Derjaguin-Landau-Verwey-Overbeek (DLVO) model, in which only central interactions are advocated; we demonstrate that this model leads to a protein-rich/protein-poor coexistence curve that agrees quite well with the experimental counterpart; experimental correlations are instead reproduced only at low pH and ionic strengths. We have finally investigated a third, "mixed" model in which the central attractive term of the DLVO potential is imported within the distributed-charge approach; it turns out that the different balance of interactions, with a much shorter-range attractive contribution, leads in this latter case to an improved agreement with the experimental crossover. We discuss the relationship between experimental correlations, phase coexistence, and features of effective interactions, as well as possible paths toward a quantitative prediction of structural properties of real lysozyme solutions. © 2012 American Institute of Physics
Energy Technology Data Exchange (ETDEWEB)
., Nuruzzaman [Hampton Univ., Hampton, VA (United States)
2014-12-01
The Q-weak experiment in Hall-C at the Thomas Jefferson National Accelerator Facility has made the first direct measurement of the weak charge of the proton through the precision measurement of the parity-violating asymmetry in elastic electron-proton scattering at low momentum transfer. There is also a parity conserving Beam Normal Single Spin Asymmetry or transverse asymmetry (B_n) on H_2 with a sin(phi)-like dependence due to two-photon exchange. If the size of elastic B_n is a few ppm, then a few percent residual transverse polarization in the beam, combined with small broken azimuthal symmetries in the detector, would require a few ppb correction to the Q-weak data. As part of a program of B_n background studies, we made the first measurement of B_n in the N-to-Delta(1232) transition using the Q-weak apparatus. The final transverse asymmetry, corrected for backgrounds and beam polarization, was found to be B_n = 42.82 ± 2.45 (stat) ± 16.07 (sys) ppm at beam energy E_beam = 1.155 GeV, scattering angle theta = 8.3 deg, and missing mass W = 1.2 GeV. B_n from electron-nucleon scattering is a unique tool to study the gamma^* Delta Delta form factors, and this measurement will help to improve the theoretical models on beam normal single spin asymmetry and thereby our understanding of the doubly virtual Compton scattering process. To help correct false asymmetries from beam noise, a beam modulation system was implemented to induce small position, angle, and energy changes at the target to characterize detector response to the beam jitter. Two air-core dipoles separated by ~10 m were pulsed at a time to produce position and angle changes at the target, for virtually any tune of the beamline. The beam energy was modulated using an SRF cavity. The hardware and associated control instrumentation will be described in this dissertation. Preliminary detector sensitivities were extracted which helped to reduce the width of the measured asymmetry. The beam modulation system
Energy Technology Data Exchange (ETDEWEB)
Feldman, Baruch [Process Technology Modeling, Design and Technology Solutions, Technology and Manufacturing Group, Intel Corporation, Santa Clara, CA 95052 (United States); Department of Physics, University of Washington, Seattle, WA 98195 (United States); Park, Seongjun; Haverty, Michael; Shankar, Sadasivan [Process Technology Modeling, Design and Technology Solutions, Technology and Manufacturing Group, Intel Corporation, Santa Clara, CA 95052 (United States); Dunham, Scott T. [Department of Physics, University of Washington, Seattle, WA 98195 (United States); Department of Electrical Engineering, University of Washington, Seattle, WA 98195 (United States)
2010-07-15
We present first-principles simulations of single grain boundary reflectivity of electrons in noble metals, Cu and Ag. We examine twin and non-twin grain boundaries using non-equilibrium Green's function and first principles methods. We also investigate the determinants of reflectivity in grain boundaries by modeling atomic vacancies, disorder, and orientation and find that both the change in grain orientation and disorder in the boundary itself contribute significantly to reflectivity. We find that grain boundary reflectivity may vary widely depending on the grain boundary structure, consistent with published experimental results. Finally, we examine the reflectivity from multiple grain boundaries and find that grain boundary reflectivity may depend on neighboring grain boundaries. This study raises some potential limitations in the independent grain boundary assumptions of the Mayadas-Shatzkes (MS) model. (Abstract Copyright [2010], Wiley Periodicals, Inc.)
DNA Origami Directed Au Nanostar Dimers for Single-Molecule Surface-Enhanced Raman Scattering.
Tanwar, Swati; Haldar, Krishna Kanta; Sen, Tapasi
2017-12-06
We demonstrate the synthesis of Au nanostar dimers with tunable interparticle gap and controlled stoichiometry assembled on DNA origami. Au nanostars with uniform and sharp tips were immobilized on rectangular DNA origami dimerized structures to create nanoantennas containing monomeric and dimeric Au nanostars. Single Texas red (TR) dye was specifically attached in the junction of the dimerized origami to act as a Raman reporter molecule. The SERS enhancement factors of single TR dye molecules located in the conjunction region in dimer structures having interparticle gaps of 7 and 13 nm are 2 × 10 10 and 8 × 10 9 , respectively, which are strong enough for single analyte detection. The highly enhanced electromagnetic field generated by the plasmon coupling between sharp tips and cores of two Au nanostars in the wide conjunction region allows the accommodation and specific detection of large biomolecules. Such DNA-directed assembled nanoantennas with controlled interparticle separation distance and stoichiometry, and well-defined geometry, can be used as excellent substrates in single-molecule SERS spectroscopy and will have potential applications as a reproducible platform in single-molecule sensing.
Huang, Jun-Wei; Bellefleur, Gilles; Milkereit, Bernd
2012-02-01
We present a conditional simulation algorithm to parameterize three-dimensional heterogeneities and construct heterogeneous petrophysical reservoir models. The models match the data at borehole locations, simulate heterogeneities at the same resolution as borehole logging data elsewhere in the model space, and simultaneously honor the correlations among multiple rock properties. The model provides a heterogeneous environment in which a variety of geophysical experiments can be simulated. This includes the estimation of petrophysical properties and the study of geophysical response to the heterogeneities. As an example, we model the elastic properties of a gas hydrate accumulation located at Mallik, Northwest Territories, Canada. The modeled properties include compressional and shear-wave velocities that primarily depend on the saturation of hydrate in the pore space of the subsurface lithologies. We introduce the conditional heterogeneous petrophysical models into a finite difference modeling program to study seismic scattering and attenuation due to multi-scale heterogeneity. Similarities between resonance scattering analysis of synthetic and field Vertical Seismic Profile data reveal heterogeneity with a horizontal-scale of approximately 50 m in the shallow part of the gas hydrate interval. A cross-borehole numerical experiment demonstrates that apparent seismic energy loss can occur in a pure elastic medium without any intrinsic attenuation of hydrate-bearing sediments. This apparent attenuation is largely attributed to attenuative leaky mode propagation of seismic waves through large-scale gas hydrate occurrence as well as scattering from patchy distribution of gas hydrate.
Directory of Open Access Journals (Sweden)
Ruei-Tang Chen
2013-01-01
Full Text Available A diffusive solar cell window comprises a diffusion plate with TiO2 nanoparticles sandwiched between two glass layers. It is a simple, inexpensive, easy-to-made, and highly reliable transparent solar energy module. To improve its power generation efficiency as well as maintain indoor natural lighting, we examined the scattering mechanism in the diffusion plate with TiO2 nanoparticles within a diffusive solar cell window by Mie scattering simulations. In this work, a multiwavelength ASAP ray tracing model for a diffusive solar cell window with acceptable accuracy was developed to investigate the influence of the diffusion plate design parameter, mainly concentration of a diffusion plate with determined particle size distribution, on power generation efficiency and color shift of transmitted sun light. A concept of “effective average radius” was proposed to account for the equivalent scattering effect of a size distribution of quasispherical particles. Simulation results demonstrated that both the transmitted light and its correlated color temperature decreased as the concentration increased for a large-size diffusive solar cell window. However, there existed a maximum power generation efficiency at around 160 ppm concentration. The optimal design for a large-size diffusion plate inside a diffusive solar cell window by taking indoor lighting into account was suggested based on the simulation results.
Roux, L; Mareschal, P; Vukadinovic, N; Thibaud, J B; Greffet, J J
2001-02-01
This study is devoted to the examination of scattering of waves by a slab containing randomly located cylinders. For the first time to our knowledge, the complete transmission problem has been solved numerically. We have compared the radiative transfer theory with a numerical solution of the wave equation. We discuss the coherent effects, such as forward-scattering dip and backscattering enhancement. It is seen that the radiative transfer equation can be used with great accuracy even for optically thin systems whose geometric thickness is comparable with the wavelength. We have also shown the presence of dependent scattering.
International Nuclear Information System (INIS)
Vorbrugg, W.; Schaerpf, O.
1975-01-01
The small-angle scattering of Ni single crystals with (111) and (100) axis orientation is measured by a photographic method in the work-hardened state after tensile deformation. Parameters are the external magnetic field H parallel to the axis (600 2 ]<=8,8), and the elastic stress tausub(el)(0<=tausub(el)<=tausub(pl)) applied to the deformed crystals during the experiments. The scattering is found to be anisotropic and characteristic for the chosen orientation. The quantitative photometric analysis shows that the parameters mentioned above only influence the intensity but not the distribution of the scattered neutrons. The scattering increases with the elastic stress and decreases with the magnetic field. In particular, in the unloaded state there is a linear relation between the scattered intensity and the plastic shear stress. (author)
Energy Technology Data Exchange (ETDEWEB)
Aoki, Isao; Seki, Yasushi [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment; Sasaki, Makoto; Shintani, Kiyonori; Kim, Yeong-Chan
1997-11-01
A dynamic simulation code for the fuel cycle of a fusion experimental reactor has been developed. The code follows the fuel inventory change with time in the plasma chamber and the fuel cycle system during a single pulse operation. The time dependence of the fuel inventory distribution is evaluated considering the fuel burn and exhaust in the plasma chamber, purification and supply functions. For each subsystem of the plasma chamber and the fuel cycle system, the fuel inventory equation is written based on the equation of state considering the function of fuel burn, exhaust, purification, and supply. The processing constants of subsystem for the steady states were taken from the values in the ITER Conceptual Design Activity (CDA) report. Using the code, the time dependence of the fuel supply and inventory depending on the burn state and subsystem processing functions are shown. (author)
Ahn, Chi Young; Jeon, Kiwan; Park, Won-Kwang
2015-06-01
This study analyzes the well-known MUltiple SIgnal Classification (MUSIC) algorithm to identify unknown support of thin penetrable electromagnetic inhomogeneity from scattered field data collected within the so-called multi-static response matrix in limited-view inverse scattering problems. The mathematical theories of MUSIC are partially discovered, e.g., in the full-view problem, for an unknown target of dielectric contrast or a perfectly conducting crack with the Dirichlet boundary condition (Transverse Magnetic-TM polarization) and so on. Hence, we perform further research to analyze the MUSIC-type imaging functional and to certify some well-known but theoretically unexplained phenomena. For this purpose, we establish a relationship between the MUSIC imaging functional and an infinite series of Bessel functions of integer order of the first kind. This relationship is based on the rigorous asymptotic expansion formula in the existence of a thin inhomogeneity with a smooth supporting curve. Various results of numerical simulation are presented in order to support the identified structure of MUSIC. Although a priori information of the target is needed, we suggest a least condition of range of incident and observation directions to apply MUSIC in the limited-view problem.
International Nuclear Information System (INIS)
Caballero, J.A.; Massachusetts Inst. of Tech., Cambridge, MA; Donnelly, T.W.; Massachusetts Inst. of Tech., Cambridge, MA; Poulis, G.I.; Massachusetts Inst. of Tech., Cambridge, MA
1993-01-01
Coincidence reactions of the type vector A( vector e, e'N)B involving the scattering of polarized electrons from polarized targets are discussed within the context of the plane-wave impulse approximation. Prescriptions are developed for polarized half-off single-nucleon cross sections; the different prescriptions are compared for typical quasi-free kinematics. Illustrative results are presented for coincidence polarized electron scattering from typical polarized nuclei. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Ross, J. S., E-mail: ross36@llnl.gov; Datte, P.; Divol, L.; Galbraith, J.; Hatch, B.; Landen, O.; Manuel, A. M.; Molander, W.; Moody, J. D.; Swadling, G. [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States); Froula, D. H.; Katz, J. [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623 (United States); Glenzer, S. H. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Kilkenny, J. [General Atomics, San Diego, California 92186 (United States); Montgomery, D. S. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Weaver, J. [Plasma Physics Division, Naval Research Laboratory, Washington, DC 20375 (United States)
2016-11-15
An optical Thomson scattering diagnostic has been designed for the National Ignition Facility to characterize under-dense plasmas. We report on the design of the system and the expected performance for different target configurations. The diagnostic is designed to spatially and temporally resolve the Thomson scattered light from laser driven targets. The diagnostic will collect scattered light from a 50 × 50 × 200 μm volume. The optical design allows operation with different probe laser wavelengths. A deep-UV probe beam (λ{sub 0} = 210 nm) will be used to Thomson scatter from electron plasma densities of ∼5 × 10{sup 20} cm{sup −3} while a 3ω probe will be used for plasma densities of ∼1 × 10{sup 19} cm{sup −3}. The diagnostic package contains two spectrometers: the first to resolve Thomson scattering from ion acoustic wave fluctuations and the second to resolve scattering from electron plasma wave fluctuations. Expected signal levels relative to background will be presented for typical target configurations (hohlraums and a planar foil).
Single-particle resonance levels in {sup 14}O examined by N13+p elastic resonance scattering
Energy Technology Data Exchange (ETDEWEB)
Teranishi, T. [Dept. of Physics, Kyushu Univ., 6-10-1 Hakozaki, Higashi-ku, Fukuoka 812-8581 (Japan)]. E-mail: teranishi@nucl.phys.kyushu-u.ac.jp; Kubono, S. [Center for Nuclear Study (CNS), Univ. of Tokyo, Wako Branch at RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Yamaguchi, H. [Center for Nuclear Study (CNS), Univ. of Tokyo, Wako Branch at RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); He, J.J. [Center for Nuclear Study (CNS), Univ. of Tokyo, Wako Branch at RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Saito, A. [Center for Nuclear Study (CNS), Univ. of Tokyo, Wako Branch at RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Fujikawa, H. [Center for Nuclear Study (CNS), Univ. of Tokyo, Wako Branch at RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Amadio, G. [Center for Nuclear Study (CNS), Univ. of Tokyo, Wako Branch at RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Niikura, M.; Shimoura, S. [Center for Nuclear Study (CNS), Univ. of Tokyo, Wako Branch at RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Wakabayashi, Y. [Dept. of Physics, Kyushu Univ., 6-10-1 Hakozaki, Higashi-ku, Fukuoka 812-8581 (Japan)]|[Center for Nuclear Study (CNS), Univ. of Tokyo, Wako Branch at RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Nishimura, S.; Nishimura, M. [RIKEN Nishina Center for Accelerator-Based Science, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Moon, J.Y.; Lee, C.S. [Dept. of Physics, Chung-Ang Univ., Seoul 156-756 (Korea, Republic of); Odahara, A. [Nishinippon Inst. of Technology, Kanda, Fukuoka 800-0394 (Japan); Sohler, D. [Inst. of Nuclear Research (ATOMKI), H-4001 Debrecen, P.O. Box 51 (Hungary); Khiem, L.H. [Inst. of Physics and Electronics (IOP), Vietnamese Academy for Science and Technology (VAST), 10 Daotan, Congvi, Badinh, P.O. Box 429-BOHO, Hanoi 10000 (Viet Nam); Li, Z.H.; Lian, G.; Liu, W.P. [China Inst. of Atomic Energy, P.O. Box 275(46), Beijing 102413 (China)
2007-06-28
Single-particle properties of low-lying resonance levels in {sup 14}O have been studied efficiently by utilizing a technique of proton elastic resonance scattering with a {sup 13}N secondary beam and a thick proton target. The excitation functions for the N13+p elastic scattering were measured over a wide energy range of E{sub CM}=0.4-3.3 MeV and fitted with an R-matrix calculation. A clear assignment of J{sup {pi}}=2{sup -} has been made for the level at E{sub x}=6.767(11) MeV in {sup 14}O for the first time. The excitation functions show a signature of a new 0{sup -} level at E{sub x}=5.71(2) MeV with {gamma}=400(100) keV. The excitation energies and widths of the {sup 14}O levels are discussed in conjunction with the spectroscopic structure of A=14 nuclei with T=1.
Experimental study of single-particle inclusive hadron scattering and associated multiplicities
International Nuclear Information System (INIS)
Brenner, A.E.; Carey, D.C.; Elias, J.E.; Garbincius, P.H.; Mikenberg, G.; Polychronakos, V.A.; Aitkenhead, W.; Barton, D.S.; Brandenburg, G.W.; Busza, W.; Dobrowolski, T.; Friedman, J.I.; Kendall, H.W.; Lyons, T.; Nelson, B.; Rosenson, L.; Toy, W.; Verdier, R.; Votta, L.; Chiaradia, M.T.; DeMarzo, C.; Favuzzi, C.; Germinario, G.; Guerriero, L.; LaVopa, P.; Maggi, G.; Posa, F.; Selvaggi, G.; Spinelli, P.; Waldner, F.; Meunier, R.; Cutts, D.; Dulude, R.S.; Lanou, R.E. Jr.; Massimo, J.T.
1982-01-01
An experiment using the Fermilab single arm spectrometer (SAS) facility and an associated nonmagnetic vertex detector studied the reactions a+p→c+X where a and c were π +- , K +- , p, or p-bar. Extensive measurements were made at 100 and 175 GeV/c beam momenta with the outgoing hadrons detected in the SAS covering a kinematic range 0.12< x<1.0 and p/sub T/<1.25 GeV/c. Additional data covering a more restricted range in x were also gathered at 70 GeV/c incident momentum. In this high-statistics experiment, the identification of both the incoming and outgoing charged hadrons were made with a total of eight Cerenkov counters. New and extensive single-particle inclusive data for charged-particle production in low-p/sub T/ hadronic fragmentation are presented. The average associated charged-particle multiplicity and pseudorapidity distributions are also given
Dimensions and Global Twist of Single-Layer DNA Origami Measured by Small-Angle X-ray Scattering.
Baker, Matthew A B; Tuckwell, Andrew J; Berengut, Jonathan F; Bath, Jonathan; Benn, Florence; Duff, Anthony P; Whitten, Andrew E; Dunn, Katherine E; Hynson, Robert M; Turberfield, Andrew J; Lee, Lawrence K
2018-06-04
The rational design of complementary DNA sequences can be used to create nanostructures that self-assemble with nanometer precision. DNA nanostructures have been imaged by atomic force microscopy and electron microscopy. Small-angle X-ray scattering (SAXS) provides complementary structural information on the ensemble-averaged state of DNA nanostructures in solution. Here we demonstrate that SAXS can distinguish between different single-layer DNA origami tiles that look identical when immobilized on a mica surface and imaged with atomic force microscopy. We use SAXS to quantify the magnitude of global twist of DNA origami tiles with different crossover periodicities: these measurements highlight the extreme structural sensitivity of single-layer origami to the location of strand crossovers. We also use SAXS to quantify the distance between pairs of gold nanoparticles tethered to specific locations on a DNA origami tile and use this method to measure the overall dimensions and geometry of the DNA nanostructure in solution. Finally, we use indirect Fourier methods, which have long been used for the interpretation of SAXS data from biomolecules, to measure the distance between DNA helix pairs in a DNA origami nanotube. Together, these results provide important methodological advances in the use of SAXS to analyze DNA nanostructures in solution and insights into the structures of single-layer DNA origami.
Single view reflectance capture using multiplexed scattering and time-of-flight imaging
Zhao, Shuang; Velten, Andreas; Raskar, Ramesh; Bala, Kavita; Naik, Nikhil Deepak
2011-01-01
This paper introduces the concept of time-of-flight reflectance estimation, and demonstrates a new technique that allows a camera to rapidly acquire reflectance properties of objects from a single view-point, over relatively long distances and without encircling equipment. We measure material properties by indirectly illuminating an object by a laser source, and observing its reflected light indirectly using a time-of-flight camera. The configuration collectively acquires dense angular, but l...
Alignment characterization of single-wall carbon nanotubes by Raman scattering
International Nuclear Information System (INIS)
Liu Pijun; Liu Liyue; Zhang Yafei
2003-01-01
A novel method for identifying the Raman modes of single-wall carbon nanotubes (SWNT) based on the symmetry of the vibration modes has been studied. The Raman intensity of each vibration mode varies with polarization direction, and the relationship can be expressed as analytical functions. This method avoids troublesome numerical calculation and easily gives clear relations between Raman intensity and polarization direction. In this way, one can distinguish each Raman-active mode of SWNT through the polarized Raman spectrum
Asadi, Reza; Ouyang, Zhengbiao
2018-03-01
A new mechanism for out-of-plane coupling into a waveguide is presented and numerically studied based on nonlinear scattering of a single nano-scale Graphene layer inside the waveguide. In this mechanism, the refractive index nonlinearity of Graphene and nonhomogeneous light intensity distribution occurred due to the interference between the out-of-plane incident pump light and the waveguide mode provide a virtual grating inside the waveguide, coupling the out-of-plane pump light into the waveguide. It has been shown that the coupling efficiency has two distinct values with high contrast around a threshold pump intensity, providing suitable condition for digital optical applications. The structure operates at a resonance mode due to band edge effect, which enhances the nonlinearity and decreases the required threshold intensity.
Equivalence of two models in single-phase multicomponent flow simulations
Wu, Yuanqing
2016-02-28
In this work, two models to simulate the single-phase multicomponent flow in reservoirs are introduced: single-phase multicomponent flow model and two-phase compositional flow model. Because the single-phase multicomponent flow is a special case of the two-phase compositional flow, the two-phase compositional flow model can also simulate the case. We compare and analyze the two models when simulating the single-phase multicomponent flow, and then demonstrate the equivalence of the two models mathematically. An experiment is also carried out to verify the equivalence of the two models.
Equivalence of two models in single-phase multicomponent flow simulations
Wu, Yuanqing; Sun, Shuyu
2016-01-01
In this work, two models to simulate the single-phase multicomponent flow in reservoirs are introduced: single-phase multicomponent flow model and two-phase compositional flow model. Because the single-phase multicomponent flow is a special case of the two-phase compositional flow, the two-phase compositional flow model can also simulate the case. We compare and analyze the two models when simulating the single-phase multicomponent flow, and then demonstrate the equivalence of the two models mathematically. An experiment is also carried out to verify the equivalence of the two models.
Raman scattering study of the structural phase transition in single crystal KDy(MoO4)2
Peschanskii, A. V.
2017-11-01
Raman scattering of light in single-crystal KDy(MoO4)2 is studied at frequencies of 3-1000 cm-1 for temperatures ranging from 2 to 300 K, including that of a structural phase transition of the cooperative Jahn-Teller type (TC ˜ 14.5 K). During the transition to the low-temperature phase, a series of additional phonon lines corresponding to the Ag, B1g, B2g, and B3g modes is observed which indicates a doubling of the unit cell during the phase transition. An analysis of the symmetry of the phonon modes shows that the low-temperature phase has a predominantly monoclinic symmetry with conservation of a second order axis along the crystallographic b direction, i.e., perpendicular to the layers. Excitations are discovered which correspond to low-energy electronic transitions between levels of the ground-state 6H15/2 multiplet of the Dy3+ ion, which is split in the crystal field with a C2 symmetry. In the vicinity of the first excited Kramers doublet of the Dy3+ ion in crystalline KDy(MoO4)2, the scattered spectrum contains four lines [16.5, 21.0, 24.9, and 29.1 cm-1 (2 K)] at low temperatures, instead of a single line [18.3 cm-1 (25 K)] above the phase transition temperature (14.5 K). This indicates the existence of four nonequivalent dysprosium ions in the low-temperature phase.
Energy Technology Data Exchange (ETDEWEB)
Pabit, Suzette A.; Katz, Andrea M.; Pollack, Lois [School of Applied and Engineering Physics, Cornell University, Ithaca, New York 14853 (United States); Tolokh, Igor S. [Department of Computer Science, Virginia Tech, Blacksburg, Virginia 24061 (United States); Drozdetski, Aleksander [Department of Physics, Virginia Tech, Blacksburg, Virginia 24061 (United States); Baker, Nathan [Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Onufriev, Alexey V. [Department of Computer Science, Virginia Tech, Blacksburg, Virginia 24061 (United States); Department of Physics, Virginia Tech, Blacksburg, Virginia 24061 (United States)
2016-05-28
Wide-angle x-ray scattering (WAXS) is emerging as a powerful tool for increasing the resolution of solution structure measurements of biomolecules. Compared to its better known complement, small angle x-ray scattering (SAXS), WAXS targets higher scattering angles and can enhance structural studies of molecules by accessing finer details of solution structures. Although the extension from SAXS to WAXS is easy to implement experimentally, the computational tools required to fully harness the power of WAXS are still under development. Currently, WAXS is employed to study structural changes and ligand binding in proteins; however, the methods are not as fully developed for nucleic acids. Here, we show how WAXS can qualitatively characterize nucleic acid structures as well as the small but significant structural changes driven by the addition of multivalent ions. We show the potential of WAXS to test all-atom molecular dynamics (MD) simulations and to provide insight into understanding how the trivalent ion cobalt(III) hexammine (CoHex) affects the structure of RNA and DNA helices. We find that MD simulations capture the RNA structural change that occurs due to addition of CoHex.
Duadi, Hamootal; Fixler, Dror; Popovtzer, Rachela
2013-11-01
Most methods for measuring light-tissue interactions focus on the volume reflectance while very few measure the transmission. We investigate both diffusion reflection and diffuse transmission at all exit angles to receive the full scattering profile. We also investigate the influence of blood vessel diameter on the scattering profile of a circular tissue. The photon propagation path at a wavelength of 850 nm is calculated from the absorption and scattering constants via Monte Carlo simulation. Several simulations are performed where a different vessel diameter and location were chosen but the blood volume was kept constant. The fraction of photons exiting the tissue at several central angles is presented for each vessel diameter. The main result is that there is a central angle that below which the photon transmission decreased for lower vessel diameters while above this angle the opposite occurred. We find this central angle to be 135 deg for a two-dimensional 10-mm diameter circular tissue cross-section containing blood vessels. These findings can be useful for monitoring blood perfusion and oxygen delivery in the ear lobe and pinched tissues. © 2013 Society of Photo-Optical Instrumentation Engineers (SPIE)
Simulations of the Light Scattering Properties of Metal/Oxide Core/Shell Nanospheres
International Nuclear Information System (INIS)
Ruffino, F.; Piccitto, G.; Grimaldi, M.G.; Ruffino, F.; Grimaldi, M.G.
2014-01-01
Given the importance of the optical properties of metal/dielectric core/shell nanoparticles, in this work we focus our attention on the light scattering properties, within the Mie framework, of some specific categories of these noteworthy nano structures. In particular, we report theoretical results of angle-dependent light scattering intensity and scattering efficiency for Ag/Ag 2 O, Al/Al 2 O 2 , Cu/Cu 2 O, Pd/PdO, and Ti/TiO 2 core/shell nanoparticles as a function of the core radius/shell thickness ratio and on a relative comparison. The results highlight the light scattering characteristics of these systems as a function of the radius/shell thickness ratio, helping in the choice of the more suitable materials and sizes for specific applications (i.e., dynamic light scattering for biological and molecular recognition, increasing light trapping in thin-film silicon, organic solar cells for achieving a higher photocurrent).
2017-01-20
AFRL-AFOSR-JP-TR-2017-0012 The Strength of Chaos : accurate simulation of resonant electron scattering by many-electron ions and atoms in the presence...of quantum chaos Igor Bray CURTIN UNIVERSITY OF TECHNOLOGY Final Report 01/20/2017 DISTRIBUTION A: Distribution approved for public release. AF...SUBTITLE The Strength of Chaos : accurate simulation of resonant electron scattering by many- electron ions and atoms in the presence of quantum chaos
Feng, Q. S.; Zheng, C. Y.; Liu, Z. J.; Cao, L. H.; Xiao, C. Z.; Wang, Q.; Zhang, H. C.; He, X. T.
2017-08-01
Ion-bulk (IBk) wave, a novel branch with a phase velocity close to the ion’s thermal velocity, discovered by Valentini et al (2011 Plasma Phys. Control. Fusion 53 105017), is recently considered as an important electrostatic activity in solar wind, and thus of great interest to space physics and also inertial confinement fusion. The harmonic effects on IBk waves has been researched by Vlasov simulation for the first time. The condition of excitation of the large-amplitude IBk waves is given. The nature of nonlinear IBk waves in the condition of kFeng scattering (SFS) has been proposed and also verified by Vlasov-Maxwell code. In CH plasmas, in addition to the stimulated Brillouin scattering from multi ion-acoustic waves, there exists SIBS simultaneously. This research gives an insight into the SIBS in the field of laser plasma interaction.
International Nuclear Information System (INIS)
Ding, Jiachen; Bi, Lei; Yang, Ping; Kattawar, George W.; Weng, Fuzhong; Liu, Quanhua; Greenwald, Thomas
2017-01-01
An ice crystal single-scattering property database is developed in the microwave spectral region (1 to 874 GHz) to provide the scattering, absorption, and polarization properties of 12 ice crystal habits (10-plate aggregate, 5-plate aggregate, 8-column aggregate, solid hexagonal column, hollow hexagonal column, hexagonal plate, solid bullet rosette, hollow bullet rosette, droxtal, oblate spheroid, prolate spheroid, and sphere) with particle maximum dimensions from 2 µm to 10 mm. For each habit, four temperatures (160, 200, 230, and 270 K) are selected to account for temperature dependence of the ice refractive index. The microphysical and scattering properties include projected area, volume, extinction efficiency, single-scattering albedo, asymmetry factor, and six independent nonzero phase matrix elements (i.e. P_1_1, P_1_2, P_2_2, P_3_3, P_4_3 and P_4_4). The scattering properties are computed by the Invariant Imbedding T-Matrix (II-TM) method and the Improved Geometric Optics Method (IGOM). The computation results show that the temperature dependence of the ice single-scattering properties in the microwave region is significant, particularly at high frequencies. Potential active and passive remote sensing applications of the database are illustrated through radar reflectivity and radiative transfer calculations. For cloud radar applications, ignoring temperature dependence has little effect on ice water content measurements. For passive microwave remote sensing, ignoring temperature dependence may lead to brightness temperature biases up to 5 K in the case of a large ice water path. - Highlights: • Single-scattering properties of ice crystals are computed from 1 to 874 GHz. • Ice refractive index temperature dependence is considered at 160, 200, 230 and 270 K. • Potential applications of the database to microwave remote sensing are illustrated. • Ignoring temperature dependence of ice refractive index can lead to 5 K difference in IWP retrieval
Monte Carlo simulation of single accident airport risk profile
1979-01-01
A computer simulation model was developed for estimating the potential economic impacts of a carbon fiber release upon facilities within an 80 kilometer radius of a major airport. The model simulated the possible range of release conditions and the resulting dispersion of the carbon fibers. Each iteration of the model generated a specific release scenario, which would cause a specific amount of dollar loss to the surrounding community. By repeated iterations, a risk profile was generated, showing the probability distribution of losses from one accident. Using accident probability estimates, the risks profile for annual losses was derived. The mechanics are described of the simulation model, the required input data, and the risk profiles generated for the 26 large hub airports.
Study of multiple scattering effects in heavy ion RBS
Energy Technology Data Exchange (ETDEWEB)
Fang, Z; O` Connor, D J [Newcastle Univ., NSW (Australia). Dept. of Physics
1997-12-31
Multiple scattering effect is normally neglected in conventional Rutherford Backscattering (RBS) analysis. The backscattered particle yield normally agrees well with the theory based on the single scattering model. However, when heavy incident ions are used such as in heavy ion Rutherford backscattering (HIRBS), or the incident ion energy is reduced, multiple scattering effect starts to play a role in the analysis. In this paper, the experimental data of 6MeV C ions backscattered from a Au target are presented. In measured time of flight spectrum a small step in front of the Au high energy edge is observed. The high energy edge of the step is about 3.4 ns ahead of the Au signal which corresponds to an energy {approx} 300 keV higher than the 135 degree single scattering energy. This value coincides with the double scattering energy of C ion undergoes two consecutive 67.5 degree scattering. Efforts made to investigate the origin of the high energy step observed lead to an Monte Carlo simulation aimed to reproduce the experimental spectrum on computer. As a large angle scattering event is a rare event, two consecutive large angle scattering is extremely hard to reproduce in a random simulation process. Thus, the simulation has not found a particle scattering into 130-140 deg with an energy higher than the single scattering energy. Obviously faster algorithms and a better physical model are necessary for a successful simulation. 16 refs., 3 figs.
Study of multiple scattering effects in heavy ion RBS
Energy Technology Data Exchange (ETDEWEB)
Fang, Z.; O`Connor, D.J. [Newcastle Univ., NSW (Australia). Dept. of Physics
1996-12-31
Multiple scattering effect is normally neglected in conventional Rutherford Backscattering (RBS) analysis. The backscattered particle yield normally agrees well with the theory based on the single scattering model. However, when heavy incident ions are used such as in heavy ion Rutherford backscattering (HIRBS), or the incident ion energy is reduced, multiple scattering effect starts to play a role in the analysis. In this paper, the experimental data of 6MeV C ions backscattered from a Au target are presented. In measured time of flight spectrum a small step in front of the Au high energy edge is observed. The high energy edge of the step is about 3.4 ns ahead of the Au signal which corresponds to an energy {approx} 300 keV higher than the 135 degree single scattering energy. This value coincides with the double scattering energy of C ion undergoes two consecutive 67.5 degree scattering. Efforts made to investigate the origin of the high energy step observed lead to an Monte Carlo simulation aimed to reproduce the experimental spectrum on computer. As a large angle scattering event is a rare event, two consecutive large angle scattering is extremely hard to reproduce in a random simulation process. Thus, the simulation has not found a particle scattering into 130-140 deg with an energy higher than the single scattering energy. Obviously faster algorithms and a better physical model are necessary for a successful simulation. 16 refs., 3 figs.
Akushevich, I.; Filoti, O. F.; Ilyichev, A.; Shumeiko, N.
2012-07-01
The structure and algorithms of the Monte Carlo generator ELRADGEN 2.0 designed to simulate radiative events in polarized ep-scattering are presented. The full set of analytical expressions for the QED radiative corrections is presented and discussed in detail. Algorithmic improvements implemented to provide faster simulation of hard real photon events are described. Numerical tests show high quality of generation of photonic variables and radiatively corrected cross section. The comparison of the elastic radiative tail simulated within the kinematical conditions of the BLAST experiment at MIT BATES shows a good agreement with experimental data. Catalogue identifier: AELO_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AELO_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1299 No. of bytes in distributed program, including test data, etc.: 11 348 Distribution format: tar.gz Programming language: FORTRAN 77 Computer: All Operating system: Any RAM: 1 MB Classification: 11.2, 11.4 Nature of problem: Simulation of radiative events in polarized ep-scattering. Solution method: Monte Carlo simulation according to the distributions of the real photon kinematic variables that are calculated by the covariant method of QED radiative correction estimation. The approach provides rather fast and accurate generation. Running time: The simulation of 108 radiative events for itest:=1 takes up to 52 seconds on Pentium(R) Dual-Core 2.00 GHz processor.
Simulation of single-electron tunnelling circuits using SPICE
Van de Haar, R.
2004-01-01
Single-electron tunnelling (SET) devices have very promising properties, like their extremely low power consumption, their extremely high switching speeds and their extremely small physical dimensions. Since the field of SET devices is far from being fully exploited, and their device properties seem
Simulated small-angle scattering patterns for a plastically deformed model composite material
Shenoy, V.B.; Cleveringa, H.H.M.; Phillips, R.; Giessen, E. van der; Needleman, A.
2000-01-01
The small-angle scattering patterns predicted by discrete dislocation plasticity versus local and non-local continuum plasticity theory are compared in a model problem. The problem considered is a two-dimensional model composite with elastic reinforcements in a crystalline matrix subject to
Czech Academy of Sciences Publication Activity Database
Duboué-Dijon, Elise; Mason, Philip E.; Fischer, H. E.; Jungwirth, Pavel
2017-01-01
Roč. 146, č. 18 (2017), č. článku 185102. ISSN 0021-9606 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : imidazole protonation * molecular dynamics * neutron scattering Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.965, year: 2016
CTmod—A toolkit for Monte Carlo simulation of projections including scatter in computed tomography
Czech Academy of Sciences Publication Activity Database
Malušek, Alexandr; Sandborg, M.; Alm Carlsson, G.
2008-01-01
Roč. 90, č. 2 (2008), s. 167-178 ISSN 0169-2607 Institutional research plan: CEZ:AV0Z10480505 Keywords : Monte Carlo * computed tomography * cone beam * scatter Subject RIV: JC - Computer Hardware ; Software Impact factor: 1.220, year: 2008 http://dx.doi.org/10.1016/j.cmpb.2007.12.005
Modeling and simulation of single-event effect in CMOS circuit
International Nuclear Information System (INIS)
Yue Suge; Zhang Xiaolin; Zhao Yuanfu; Liu Lin; Wang Hanning
2015-01-01
This paper reviews the status of research in modeling and simulation of single-event effects (SEE) in digital devices and integrated circuits. After introducing a brief historical overview of SEE simulation, different level simulation approaches of SEE are detailed, including material-level physical simulation where two primary methods by which ionizing radiation releases charge in a semiconductor device (direct ionization and indirect ionization) are introduced, device-level simulation where the main emerging physical phenomena affecting nanometer devices (bipolar transistor effect, charge sharing effect) and the methods envisaged for taking them into account are focused on, and circuit-level simulation where the methods for predicting single-event response about the production and propagation of single-event transients (SETs) in sequential and combinatorial logic are detailed, as well as the soft error rate trends with scaling are particularly addressed. (review)
Directory of Open Access Journals (Sweden)
Wonmo Sung
Full Text Available This study investigated the potential of a newly proposed scattering foil free (SFF electron beam scanning technique for the treatment of skin cancer on the irregular patient surfaces using Monte Carlo (MC simulation. After benchmarking of the MC simulations, we removed the scattering foil to generate SFF electron beams. Cylindrical and spherical phantoms with 1 cm boluses were generated and the target volume was defined from the surface to 5 mm depth. The SFF scanning technique with 6 MeV electrons was simulated using those phantoms. For comparison, volumetric modulated arc therapy (VMAT plans were also generated with two full arcs and 6 MV photon beams. When the scanning resolution resulted in a larger separation between beams than the field size, the plan qualities were worsened. In the cylindrical phantom with a radius of 10 cm, the conformity indices, homogeneity indices and body mean doses of the SFF plans (scanning resolution = 1° vs. VMAT plans were 1.04 vs. 1.54, 1.10 vs. 1.12 and 5 Gy vs. 14 Gy, respectively. Those of the spherical phantom were 1.04 vs. 1.83, 1.08 vs. 1.09 and 7 Gy vs. 26 Gy, respectively. The proposed SFF plans showed superior dose distributions compared to the VMAT plans.
Sung, Wonmo; Park, Jong In; Kim, Jung-In; Carlson, Joel; Ye, Sung-Joon; Park, Jong Min
2017-01-01
This study investigated the potential of a newly proposed scattering foil free (SFF) electron beam scanning technique for the treatment of skin cancer on the irregular patient surfaces using Monte Carlo (MC) simulation. After benchmarking of the MC simulations, we removed the scattering foil to generate SFF electron beams. Cylindrical and spherical phantoms with 1 cm boluses were generated and the target volume was defined from the surface to 5 mm depth. The SFF scanning technique with 6 MeV electrons was simulated using those phantoms. For comparison, volumetric modulated arc therapy (VMAT) plans were also generated with two full arcs and 6 MV photon beams. When the scanning resolution resulted in a larger separation between beams than the field size, the plan qualities were worsened. In the cylindrical phantom with a radius of 10 cm, the conformity indices, homogeneity indices and body mean doses of the SFF plans (scanning resolution = 1°) vs. VMAT plans were 1.04 vs. 1.54, 1.10 vs. 1.12 and 5 Gy vs. 14 Gy, respectively. Those of the spherical phantom were 1.04 vs. 1.83, 1.08 vs. 1.09 and 7 Gy vs. 26 Gy, respectively. The proposed SFF plans showed superior dose distributions compared to the VMAT plans.
Consler, T G; Uberbacher, E C; Bunick, G J; Liebman, M N; Lee, J C
1988-02-25
The effects of ligands on the structure of rabbit muscle pyruvate kinase were studied by small angle neutron scattering. The radius of gyration, RG, decreases by about 1 A in the presence of the substrate phosphoenolpyruvate, but increases by about the same magnitude in the presence of the allosteric inhibitor phenylalanine. With increasing pH or in the absence of Mg2+ and K+, the RG of pyruvate kinase increases. Hence, there is a 2-A difference in RG between two alternative conformations. Length distribution analysis indicates that, under all experimental conditions which increase the radius of gyration, there is a pronounced increase observed in the probability for interatomic distance between 80 and 110 A. These small angle neutron scattering results indicate a "contraction" and "expansion" of the enzyme when it transforms between its active and inactive forms. Using the alpha-carbon coordinates of crystalline cat muscle pyruvate kinase, a length distribution profile was calculated, and it matches the scattering profile of the inactive form. These observations are expected since the crystals were grown in the absence of divalent cations (Stuart, D. I., Levine, M., Muirhead, H., and Stammers, D. K. (1979) J. Mol. Biol. 134, 109-142). Hence, results from neutron scattering, x-ray crystallographic, and sedimentation studies (Oberfelder, R. W., Lee, L. L.-Y., and Lee, J.C. (1984) Biochemistry 23, 3813-3821) are totally consistent with each other. With the aid of computer modeling, the crystal structure has been manipulated in order to effect changes that are consistent with the conformational change described by the solution scattering data. The structural manipulation involves the rotation of the B domain relative to the A domain, leading to the closure of the cleft between these domains. These manipulations resulted in the generation of new sets of atomic (C-alpha) coordinates, which were utilized in calculations, the result of which compared favorably with the
Energy Technology Data Exchange (ETDEWEB)
Hugouvieux, V
2004-11-15
In this thesis, both theoretical and experimental studies of liquids are done. Neutron scattering enables structural and dynamical properties of liquids to be investigated. On the theoretical side, molecular dynamics simulations are of great interest since they give positions and velocities of the atoms and the forces acting on each of them. They also enable spatial and temporal correlations to be computed and these quantities are also available from neutron scattering experiments. Consequently, the comparison can be made between results from molecular dynamics simulations and from neutron scattering experiments, in order to improve our understanding of the structure and dynamics of liquids. However, since extracting reliable data from a neutron scattering experiment is difficult, we propose to simulate the experiment as a whole, including both instrument and sample, in order to gain understanding and to evaluate the impact of the different parasitic contributions (absorption, multiple scattering associated with elastic and inelastic scattering, instrument resolution). This approach, in which the sample is described by its structure and dynamics as computed from molecular dynamics simulations, is presented and tested on isotropic model systems. Then liquid germanium is investigated by inelastic neutron scattering and both classical and ab initio molecular dynamics simulations. This enables us to simulate the experiment we performed and to evaluate the influence of the contributions from the instrument and from the sample on the detected signal. (author)
Kinetic Theory and Simulation of Single-Channel Water Transport
Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus
Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.
DEFF Research Database (Denmark)
Hansen, Flemming Yssing; Criswell, L.; Fuhrmann, D
2004-01-01
Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of similar to0.1-4 ns. We present evidence...... that these relatively slow motions are observable by high-energy-resolution quasielastic neutron scattering (QNS) thus demonstrating QNS as a technique, complementary to nuclear magnetic resonance, for studying conformational dynamics on a nanosecond time scale in molecular monolayers....
Cross, E. S.; Onasch, T. B.; Canagaratna, M.; Jayne, J. T.; Kimmel, J.; Yu, X.-Y.; Alexander, M. L.; Worsnop, D. R.; Davidovits, P.
2008-12-01
We present the first single particle results obtained using an Aerodyne time-of-flight aerosol mass spectrometer coupled with a light scattering module (LS-ToF-AMS). The instrument was deployed at the T1 ground site approximately 40 km northeast of the Mexico City Metropolitan Area (MCMA) as part of the MILAGRO field study in March of 2006. The instrument was operated as a standard AMS from 12-30 March, acquiring average chemical composition and size distributions for the ambient aerosol, and in single particle mode from 27-30 March. Over a 75-h sampling period, 12 853 single particle mass spectra were optically triggered, saved, and analyzed. The correlated optical and chemical detection allowed detailed examination of single particle collection and quantification within the LS-ToF-AMS. The single particle data enabled the mixing states of the ambient aerosol to be characterized within the context of the size-resolved ensemble chemical information. The particulate mixing states were examined as a function of sampling time and most of the particles were found to be internal mixtures containing many of the organic and inorganic species identified in the ensemble analysis. The single particle mass spectra were deconvolved, using techniques developed for ensemble AMS data analysis, into HOA, OOA, NH4NO3, (NH4)2SO4, and NH4Cl fractions. Average single particle mass and chemistry measurements are shown to be in agreement with ensemble MS and PTOF measurements. While a significant fraction of ambient particles were internal mixtures of varying degrees, single particle measurements of chemical composition allowed the identification of time periods during which the ambient ensemble was externally mixed. In some cases the chemical composition of the particles suggested a likely source. Throughout the full sampling period, the ambient ensemble was an external mixture of combustion-generated HOA particles from local sources (e.g. traffic), with number concentrations peaking
Scattering Correction For Image Reconstruction In Flash Radiography
International Nuclear Information System (INIS)
Cao, Liangzhi; Wang, Mengqi; Wu, Hongchun; Liu, Zhouyu; Cheng, Yuxiong; Zhang, Hongbo
2013-01-01
Scattered photons cause blurring and distortions in flash radiography, reducing the accuracy of image reconstruction significantly. The effect of the scattered photons is taken into account and an iterative deduction of the scattered photons is proposed to amend the scattering effect for image restoration. In order to deduct the scattering contribution, the flux of scattered photons is estimated as the sum of two components. The single scattered component is calculated accurately together with the uncollided flux along the characteristic ray, while the multiple scattered component is evaluated using correction coefficients pre-obtained from Monte Carlo simulations.The arbitrary geometry pretreatment and ray tracing are carried out based on the customization of AutoCAD. With the above model, an Iterative Procedure for image restORation code, IPOR, is developed. Numerical results demonstrate that the IPOR code is much more accurate than the direct reconstruction solution without scattering correction and it has a very high computational efficiency
Scattering Correction For Image Reconstruction In Flash Radiography
Energy Technology Data Exchange (ETDEWEB)
Cao, Liangzhi; Wang, Mengqi; Wu, Hongchun; Liu, Zhouyu; Cheng, Yuxiong; Zhang, Hongbo [Xi' an Jiaotong Univ., Xi' an (China)
2013-08-15
Scattered photons cause blurring and distortions in flash radiography, reducing the accuracy of image reconstruction significantly. The effect of the scattered photons is taken into account and an iterative deduction of the scattered photons is proposed to amend the scattering effect for image restoration. In order to deduct the scattering contribution, the flux of scattered photons is estimated as the sum of two components. The single scattered component is calculated accurately together with the uncollided flux along the characteristic ray, while the multiple scattered component is evaluated using correction coefficients pre-obtained from Monte Carlo simulations.The arbitrary geometry pretreatment and ray tracing are carried out based on the customization of AutoCAD. With the above model, an Iterative Procedure for image restORation code, IPOR, is developed. Numerical results demonstrate that the IPOR code is much more accurate than the direct reconstruction solution without scattering correction and it has a very high computational efficiency.
International Nuclear Information System (INIS)
Krieger, U.K.; Meier, P.
2011-01-01
We use single bi-sphere particles levitated in an electrodynamic balance to record two-dimensional angular scattering patterns at different angles of the coordinate system of the aggregate relative to the incident laser beam. Due to Brownian motion the particle covers the whole set of possible angles with time and allows to select patterns with high symmetry for analysis. These are qualitatively compared to numerical calculations. A small cluster of four spheres shows complex scattering patterns, comparison with computations suggest a low compactness for these clusters. An experimental procedure is proposed for studying restructuring effects occurring in mixed particles upon evaporation. - Research highlights: → Single levitated bi-sphere particle. → Two-dimensional angular scattering pattern. → Comparison experiment with computations.
Directory of Open Access Journals (Sweden)
Tor eNordam
2013-09-01
Full Text Available A formalism is introduced for the non-perturbative, purely numerical, solution of the reduced Rayleigh equation for the scattering of light from two-dimensional penetrable rough surfaces. Implementation and performance issues of the method, and various consistency checks of it, are presented and discussed. The proposed method is found, within the validity of the Rayleigh hypothesis, to give reliable results. For a non-absorbing metal surface the conservation of energy was explicitly checked, and found to be satisfied to within 0.03%, or better, for the parameters assumed. This testifies to the accuracy of the approach and a satisfactory discretization. As an illustration, we calculate the full angular distribution of the mean differential reflection coefficient for the scattering of p- or s-polarized light incident on two-dimensional dielectric or metallic randomly rough surfaces defined by (isotropic or anisotropic Gaussian and cylindrical power spectra. Simulation results obtained by the proposed method agree well with experimentally measured scattering data taken from similar well-characterized, rough metal samples, or to results obtained by other numerical methods.
Well-width dependence of exciton-phonon scattering in InxGa1 - xAs/GaAs single quantum wells
DEFF Research Database (Denmark)
Borri, Paola; Langbein, Wolfgang Werner; Hvam, Jørn Märcher
1999-01-01
The temperature and density dependencies of the exciton dephasing time in In0.18Ga0.82As/GaAs single quantum wells with different thicknesses have been measured by degenerate four-wave mixing; The exciton-phonon scattering contribution to the dephasing is isolated by extrapolating the dephasing r...
Estimation of Amount of Scattered Neutrons at Devices PFZ and GIT-12 by MCNP Simulations
Directory of Open Access Journals (Sweden)
Ondrej Šíla
2013-01-01
Full Text Available Our work is dedicated to pinch effect occurring during current discharge in deuterium plasma, and our results are connected with two devices – plasma focus PFZ, situated in the Faculty of Electrical Engineering, CTU, Prague, and Z-pinch GIT-12, which is situated in the Institute of High Current Electronics, Tomsk. During fusion reactions that proceed in plasma during discharge, neutrons are produced. We use neutrons as instrument for plasma diagnostics. Despite of the advantage that neutrons do not interact with electric and magnetic fields inside device, they are inevitably scattered by materials that are placed between their source and probe, and information about plasma from which they come from is distorted. For estimation of rate of neutron scattering we use MCNP code.
International Nuclear Information System (INIS)
Valente, Mauro; Botta, Francesca; Pedroli, Guido
2012-01-01
Beta-emitters have proved to be appropriate for radioimmunotherapy. The dosimetric characterization of each radionuclide has to be carefully investigated. One usual and practical dosimetric approach is the calculation of dose distribution from a unit point source emitting particles according to any radionuclide of interest, which is known as dose point kernel. Absorbed dose distributions are due to primary and radiation scattering contributions. This work presented a method capable of performing dose distributions for nuclear medicine dosimetry by means of Monte Carlo methods. Dedicated subroutines have been developed in order to separately compute primary and scattering contributions to the total absorbed dose, performing particle transport up to 1 keV or least. Preliminarily, the suitability of the calculation method has been satisfactory, being tested for monoenergetic sources, and it was further applied to the characterization of different beta-minus radionuclides of nuclear medicine interests for radioimmunotherapy. (author)
Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals
International Nuclear Information System (INIS)
Germann, Timothy C.; Holian, Brad Lee; Lomdahl, Peter S.; Ravelo, Ramon
2000-01-01
We use multimillion-atom molecular dynamics simulations to study shock wave propagation in fcc crystals. As shown recently, shock waves along the direction form intersecting stacking faults by slippage along {111} close-packed planes at sufficiently high shock strengths. We find even more interesting behavior of shocks propagating in other low-index directions: for the case, an elastic precursor separates the shock front from the slipped (plastic) region. Shock waves along the direction generate a leading solitary wave train, followed (at sufficiently high shock speeds) by an elastic precursor, and then a region of complex plastic deformation. (c) 2000 The American Physical Society
Directory of Open Access Journals (Sweden)
Daqing Piao
2014-12-01
Full Text Available Recent focused Monte Carlo and experimental studies on steady-state single-fiber reflectance spectroscopy (SfRS from a biologically relevant scattering medium have revealed that, as the dimensionless reduced scattering of the medium increases, the SfRS intensity increases monotonically until reaching a plateau. The SfRS signal is semi-empirically decomposed to the product of three contributing factors, including a ratio-of-remission (RoR term that refers to the ratio of photons remitting from the medium and crossing the fiber-medium interface over the total number of photons launched into the medium. The RoR is expressed with respect to the dimensionless reduced scattering parameter , where is the reduced scattering coefficient of the medium and is the diameter of the probing fiber. We develop in this work, under the assumption of an isotropic-scattering medium, a method of analytical treatment that will indicate the pattern of RoR as a function of the dimensionless reduced scattering of the medium. The RoR is derived in four cases, corresponding to in-medium (applied to interstitial probing of biological tissue or surface-based (applied to contact-probing of biological tissue SfRS measurements using straight-polished or angle-polished fiber. The analytically arrived surface-probing RoR corresponding to single-fiber probing using a 15° angle-polished fiber over the range of agrees with previously reported similarly configured experimental measurement from a scattering medium that has a Henyey–Greenstein scattering phase function with an anisotropy factor of 0.8. In cases of a medium scattering light anisotropically, we propose how the treatment may be furthered to account for the scattering anisotropy using the result of a study of light scattering close to the point-of-entry by Vitkin et al. (Nat. Commun. 2011, doi:10.1038/ncomms1599.
Feng, Wei; Wang, Zhigang; Zhang, Wenke
2017-02-28
Understanding the relationship between polymer chain conformation as well as the chain composition within the single crystal and the mechanical properties of the corresponding single polymer chain will facilitate the rational design of high performance polymer materials. Here three model systems of polymer single crystals, namely poly(ethylene oxide) (PEO), polyethylene (PE), and nylon-66 (PA66) have been chosen to study the effects of chain conformation, helical (PEO) versus planar zigzag conformation (PE, PA66), and chain composition (PE versus PA66) on the mechanical properties of a single polymer chain. To do that, steered molecular dynamics simulations were performed on those polymer single crystals by pulling individual polymer chains out of the crystals. Our results show that the patterns of force-extension curve as well as the chain moving mode are closely related to the conformation of the polymer chain in the single crystal. In addition, hydrogen bonds can enhance greatly the force required to stretch the polymer chain out of the single crystal. The dynamic breaking and reformation of multivalent hydrogen bonds have been observed for the first time in PA66 at the single molecule level.
Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation
Kadoura, Ahmad Salim; Siripatana, Adil; Sun, Shuyu; Knio, Omar; Hoteit, Ibrahim
2016-01-01
In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard
Lvovich, I. Ya; Preobrazhenskiy, A. P.; Choporov, O. N.
2018-05-01
The paper deals with the issue of electromagnetic scattering on a perfectly conducting diffractive body of a complex shape. Performance calculation of the body scattering is carried out through the integral equation method. Fredholm equation of the second time was used for calculating electric current density. While solving the integral equation through the moments method, the authors have properly described the core singularity. The authors determined piecewise constant functions as basic functions. The chosen equation was solved through the moments method. Within the Kirchhoff integral approach it is possible to define the scattered electromagnetic field, in some way related to obtained electrical currents. The observation angles sector belongs to the area of the front hemisphere of the diffractive body. To improve characteristics of the diffractive body, the authors used a neural network. All the neurons contained a logsigmoid activation function and weighted sums as discriminant functions. The paper presents the matrix of weighting factors of the connectionist model, as well as the results of the optimized dimensions of the diffractive body. The paper also presents some basic steps in calculation technique of the diffractive bodies, based on the combination of integral equation and neural networks methods.
The Fast Simulation of Scattering Characteristics from a Simplified Time Varying Sea Surface
Directory of Open Access Journals (Sweden)
Yiwen Wei
2015-01-01
Full Text Available This paper aims at applying a simplified sea surface model into the physical optics (PO method to accelerate the scattering calculation from 1D time varying sea surface. To reduce the number of the segments and make further improvement on the efficiency of PO method, a simplified sea surface is proposed. In this simplified sea surface, the geometry of long waves is locally approximated by tilted facets that are much longer than the electromagnetic wavelength. The capillary waves are considered to be sinusoidal line superimposing on the long waves. The wavenumber of the sinusoidal waves is supposed to satisfy the resonant condition of Bragg waves which is dominant in all the scattered short wave components. Since the capillary wave is periodical within one facet, an analytical integration of the PO term can be performed. The backscattering coefficient obtained from a simplified sea surface model agrees well with that obtained from a realistic sea surface. The Doppler shifts and width also agree well with the realistic model since the capillary waves are taken into consideration. The good agreements indicate that the simplified model is reasonable and valid in predicting both the scattering coefficients and the Doppler spectra.
Computerized simulation of sintering process through single geometric arrangements utilization
International Nuclear Information System (INIS)
Vasconcelos, Vanderley de; Lameiras, Fernando Soares; Vasconcelos, Wander L.
1995-01-01
In materials science and engineering, microstructure is of crucial importance in determining the properties and therefore the performance of the designed products. However, the parameters and processes which control microstructural evolution in multi-phase polycrystalline systems have not been systematically examined yet. This is specially true in the case of powder processing of ceramics, where the final microstructure is related not only to the densification process, but also to the characteristics of the green compact, such as particle size distribution and packing density. One way to carry out the study of this problem with the of a computer is to consider the green compact as a periodic arrangement of mono-sized hard spheres, e.g., the simple cubic, the body-centered cubic (b.c.) and the face-centered cubic (f.c.c.) arrays. That simplification allows to foresee the resultant morphology when the array is sintered to full density through a simulation algorithm that allows the spheres to penetrate one another and conserve their mass. Typical powder compacts have a random, rather than regular, structures. An element of randomness is introduced and various parameters for this case (e.g. density, coordination number, morphology) are compared with the simple ones. Thermodynamic features of the simulated microstructures which may reveal which one resembles a more realistic equilibrium configuration are also included. (author). 8 refs., 2 figs
Directory of Open Access Journals (Sweden)
Lauren Boldon
2015-02-01
Full Text Available In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS experiments, molecular dynamics (MD simulations, and MD-SAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics’ equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.
Boldon, Lauren; Laliberte, Fallon; Liu, Li
2015-01-01
In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS) experiments, molecular dynamics (MD) simulations, and MD-SAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics' equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.
Hyeon, Changbong
2010-01-01
In recent years, single molecule force techniques have opened a new avenue to decipher the folding landscapes of biopolymers by allowing us to watch and manipulate the dynamics of individual proteins and nucleic acids. In single molecule force experiments, quantitative analyses of measurements employing sound theoretical models and molecular simulations play central role more than any other field. With a brief description of basic theories for force mechanics and molecular simulation techniqu...
Fast analytical scatter estimation using graphics processing units.
Ingleby, Harry; Lippuner, Jonas; Rickey, Daniel W; Li, Yue; Elbakri, Idris
2015-01-01
To develop a fast patient-specific analytical estimator of first-order Compton and Rayleigh scatter in cone-beam computed tomography, implemented using graphics processing units. The authors developed an analytical estimator for first-order Compton and Rayleigh scatter in a cone-beam computed tomography geometry. The estimator was coded using NVIDIA's CUDA environment for execution on an NVIDIA graphics processing unit. Performance of the analytical estimator was validated by comparison with high-count Monte Carlo simulations for two different numerical phantoms. Monoenergetic analytical simulations were compared with monoenergetic and polyenergetic Monte Carlo simulations. Analytical and Monte Carlo scatter estimates were compared both qualitatively, from visual inspection of images and profiles, and quantitatively, using a scaled root-mean-square difference metric. Reconstruction of simulated cone-beam projection data of an anthropomorphic breast phantom illustrated the potential of this method as a component of a scatter correction algorithm. The monoenergetic analytical and Monte Carlo scatter estimates showed very good agreement. The monoenergetic analytical estimates showed good agreement for Compton single scatter and reasonable agreement for Rayleigh single scatter when compared with polyenergetic Monte Carlo estimates. For a voxelized phantom with dimensions 128 × 128 × 128 voxels and a detector with 256 × 256 pixels, the analytical estimator required 669 seconds for a single projection, using a single NVIDIA 9800 GX2 video card. Accounting for first order scatter in cone-beam image reconstruction improves the contrast to noise ratio of the reconstructed images. The analytical scatter estimator, implemented using graphics processing units, provides rapid and accurate estimates of single scatter and with further acceleration and a method to account for multiple scatter may be useful for practical scatter correction schemes.
International Nuclear Information System (INIS)
Miklaszewski, R.; Drozdowicz, K.; Wiacek, U.; Dworak, D.; Gribkov, V.
2011-01-01
Recent progress in the development of a single-pulse Nanosecond Impulse Neutron Investigation System (NINIS) intended for interrogation of hidden objects (explosives and other illicit materials) by means of measuring elastically scattered neutrons is presented in this paper. The method is based on the well know fact that nuclide-specific information is present in the scattered neutron field. The method uses very bright neutron pulses having duration of the order of few nanoseconds, generated by a dense plasma focus (DPF) devices filled with a pure deuterium or deuterium-tritium mixture as a working gas. Very short duration of the neutron pulse, its high brightness and mono-chromaticity allow to use the time-of-flight method with bases of about few meters to distinguish signals from neutrons scattered by different elements. Results of the Monte Carlo simulations of the scattered neutron field from several compounds (explosives and everyday use materials) are presented in the paper. The MCNP5 code has been used to get information on the angular and energy distributions of the neutrons scattered by the above mentioned compounds assuming the initial neutron energy equal to 2.45 MeV (D-D). A new input has been elaborated that allows the modelling of not only a spectrum of the neutrons scattered at different angles but also their time history from the moment of generation up to detection. Such an approach allows getting approximate signals as registered by scintillator + photomultiplier probes placed at various distances from the scattering object, demonstrating a principal capability of the method to identify an elemental content of the inspected objects. Preliminary results of the MCNP modelling of the interrogation process of the airport luggage containing several illicit objects are presented as well. (authors)
Directory of Open Access Journals (Sweden)
E. I. Kassianov
2007-06-01
Full Text Available Multi-filter Rotating Shadowband Radiometers (MFRSRs provide routine measurements of the aerosol optical depth (τ at six wavelengths (0.415, 0.5, 0.615, 0.673, 0.870 and 0.94 μm. The single-scattering albedo (π_{0} is typically estimated from the MFRSR measurements by assuming the asymmetry parameter (g. In most instances, however, it is not easy to set an appropriate value of g due to its strong temporal and spatial variability. Here, we introduce and validate an updated version of our retrieval technique that allows one to estimate simultaneously π_{0} and g for different types of aerosol. We use the aerosol and radiative properties obtained during the Atmospheric Radiation Measurement (ARM Program's Aerosol Intensive Operational Period (IOP to validate our retrieval in two ways. First, the MFRSR-retrieved optical properties are compared with those obtained from independent surface, Aerosol Robotic Network (AERONET, and aircraft measurements. The MFRSR-retrieved optical properties are in reasonable agreement with these independent measurements. Second, we perform radiative closure experiments using the MFRSR-retrieved optical properties. The calculated broadband values of the direct and diffuse fluxes are comparable (~5 W/m^{2} to those obtained from measurements.
Pandey, Gyanendra Krishna; Pathak, Nilesh Kumar; Uma, R.; Sharma, R. P.
2017-04-01
In this article we have investigated the electromagnetic surface enhanced Raman scattering (SERS) of single biomolecule adsorbed at the surface of spherical nanodimer. The SERS mechanism has been studied using first principle approach for spherical nanodimer geometry. The coupling of plasmonic concept to biomolecule results the broadband tunable enhancement in Raman gain factor. In this observation the enhancement factor was observed around ≈ 1015. The plasmonic properties of metal nanodimer are analysed in terms of surface plasmon resonances, extinction efficiency and polarisability that have been derived under quasistatic approximation. In this paper, various facets like interdipole separation, molecule distance and size of the plasmonic nanogeometry are taken into account to analyse the Raman gain factor. We also observe that the frequency range expands sufficiently which increases the broad detectability range of the molecule which generates signal even in the outside of Raman range i.e. in between IR to UV region. Lastly, the extinction spectra and electric field profile have been evaluated at resonance wavelength 364 nm. The comparison between electrostatic approach and numerical approach (using DDA) has also been done in terms of extinction spectra.
Spin-flip transition of L10-type MnPt alloy single crystal studied by neutron scattering
International Nuclear Information System (INIS)
Hama, Hiroaki; Motomura, Ryo; Shinozaki, Tatsuya; Tsunoda, Yorihiko
2007-01-01
Magnetic structure, tetragonality, and the spin-flip transition for an L1 0 -type MnPt ordered alloy were studied by neutron scattering using a single-crystal specimen. Tetragonality of the lattice showed strong correlation with the spin-flip transition. Although the spin-flip transition looks like a gradual change of the easy axis in the temperature range between 580 and 770 K, two modes of magnon-gap peaks with different energies were observed in this transition temperature range. Thus, the crystal consists of two regions with different anisotropy energies and the volume fractions of these regions with different spin directions change gradually with temperature. The tetragonality and spin-flip transition are discussed using the hard-sphere model for atomic radii of Pt and Mn. The Invar effect of Mn atoms is proposed using high- and low-spin transitions of Mn moments in analogy with the two-γ model of Fe moments in FeNi Invar alloy
Energy Technology Data Exchange (ETDEWEB)
Howell, Rebecca M., E-mail: rhowell@mdanderson.org [Department of Radiation Physics, The University of Texas M. D. Anderson Cancer Center, Houston, Texas (United States); Burgett, Eric A.; Isaacs, Daniel [Department of Nuclear Engineering, Idaho State University, Pocatello, Idaho (United States); Price Hedrick, Samantha G.; Reilly, Michael P.; Rankine, Leith J.; Grantham, Kevin K.; Perkins, Stephanie; Klein, Eric E. [Department of Radiation Oncology, Washington University, St. Louis, Missouri (United States)
2016-05-01
Purpose: To measure, in the setting of typical passively scattered proton craniospinal irradiation (CSI) treatment, the secondary neutron spectra, and use these spectra to calculate dose equivalents for both internal and external neutrons delivered via a Mevion single-room compact proton system. Methods and Materials: Secondary neutron spectra were measured using extended-range Bonner spheres for whole brain, upper spine, and lower spine proton fields. The detector used can discriminate neutrons over the entire range of the energy spectrum encountered in proton therapy. To separately assess internally and externally generated neutrons, each of the fields was delivered with and without a phantom. Average neutron energy, total neutron fluence, and ambient dose equivalent [H* (10)] were calculated for each spectrum. Neutron dose equivalents as a function of depth were estimated by applying published neutron depth–dose data to in-air H* (10) values. Results: For CSI fields, neutron spectra were similar, with a high-energy direct neutron peak, an evaporation peak, a thermal peak, and an intermediate continuum between the evaporation and thermal peaks. Neutrons in the evaporation peak made the largest contribution to dose equivalent. Internal neutrons had a very low to negligible contribution to dose equivalent compared with external neutrons, largely attributed to the measurement location being far outside the primary proton beam. Average energies ranged from 8.6 to 14.5 MeV, whereas fluences ranged from 6.91 × 10{sup 6} to 1.04 × 10{sup 7} n/cm{sup 2}/Gy, and H* (10) ranged from 2.27 to 3.92 mSv/Gy. Conclusions: For CSI treatments delivered with a Mevion single-gantry proton therapy system, we found measured neutron dose was consistent with dose equivalents reported for CSI with other proton beamlines.
Directory of Open Access Journals (Sweden)
C. Hübler
2017-10-01
Full Text Available For the design and optimisation of offshore wind turbines, the knowledge of realistic environmental conditions and utilisation of well-founded simulation constraints is very important, as both influence the structural behaviour and power output in numerical simulations. However, real high-quality data, especially for research purposes, are scarcely available. This is why, in this work, a comprehensive database of 13 environmental conditions at wind turbine locations in the North and Baltic Sea is derived using data of the FINO research platforms. For simulation constraints, like the simulation length and the time of initial simulation transients, well-founded recommendations in the literature are also rare. Nevertheless, it is known that the choice of simulation lengths and times of initial transients fundamentally affects the quality and computing time of simulations. For this reason, studies of convergence for both parameters are conducted to determine adequate values depending on the type of substructure, the wind speed, and the considered loading (fatigue or ultimate. As the main purpose of both the database and the simulation constraints is to compromise realistic data for probabilistic design approaches and to serve as a guidance for further studies in order to enable more realistic and accurate simulations, all results are freely available and easy to apply.
Single-sided sheet-to-tube spot welding investigated by 3D numerical simulations
DEFF Research Database (Denmark)
Nielsen, Chris Valentin; Chergui, Azeddine; Zhang, Wenqi
The single-sided resistance spot welding process is analyzed by a 3D numerical study of sheet-to-tube joining. Finite element simulations are carried out in SORPAS® 3D. Two levels of electrode force and five levels of welding current are simulated. The overall effects of changing current and force...
International Nuclear Information System (INIS)
Johnson, M.R.; Trommsdorff, H.P.
2009-01-01
Vibrational spectra of crystalline powder of four isotopologues of formic acid (HCOOH, HCOOD, DCOOH, DCOOD) and of acetic acid (CH 3 COOH, CH 3 COOD, CD 3 COOH, CD 3 COOD) were recorded at 20 K by inelastic neutron scattering. These spectra are compared with computed spectra based on harmonic force fields derived from periodic density functional theory (DFT) calculations. The assignment of all internal vibrations is obvious from the spectral changes under isotopic substitution. Discrepancies between calculation and experiment expose the over evaluation of the strength of the hydrogen bond by these standard DFT calculations
Energy Technology Data Exchange (ETDEWEB)
Ward, Gregory; Mistrick, Ph.D., Richard; Lee, Eleanor; McNeil, Andrew; Jonsson, Ph.D., Jacob
2011-01-21
We describe two methods which rely on bidirectional scattering distribution functions (BSDFs) to model the daylighting performance of complex fenestration systems (CFS), enabling greater flexibility and accuracy in evaluating arbitrary assemblies of glazing, shading, and other optically-complex coplanar window systems. Two tools within Radiance enable a) efficient annual performance evaluations of CFS, and b) accurate renderings of CFS despite the loss of spatial resolution associated with low-resolution BSDF datasets for inhomogeneous systems. Validation, accuracy, and limitations of the methods are discussed.
CFD Simulations of a Single-phase Mixing Experiment
International Nuclear Information System (INIS)
Bertolotto, Davide; Chawla, Rakesh; Manera, Annalisa; Prasser, Horst-Michael
2008-01-01
The current paper reports on an investigation of the capabilities of CFD codes to model multidimensional mixing phenomena in a loop. For the purpose, a test facility consisting of two loops connected by a double T-junction has been built at the Paul Scherrer Institut (PSI). Experiments were carried out, in which a tracer was injected in one loop and the tracer distribution before and after the T-junction was measured by means of wire-mesh sensors located at the outlets of the junction. The tracer distribution after the T-junction is strongly dependent on 3D mixing phenomena, which are dominant due to the particular geometry of the set-up. For the CFD analysis, a 3D model of the double T-junction was created, and different simulations were performed with ANSYS-CFX to study the sensitivity of the results with respect to parameters such as mesh refinement, integration time step, turbulence model, profiles for inlet velocity and injected tracer concentration. Thereafter, these results were compared with the experimental data. The comparisons have clearly pointed out that 3D modelling is able to reproduce (at least qualitatively) the experimental results. Moreover, it has been found that the CFD results are strongly influenced by the velocity profile assumptions at the inlets of the double T-junction. (authors)
Numerical simulation of single bubble dynamics under acoustic travelling waves.
Ma, Xiaojian; Huang, Biao; Li, Yikai; Chang, Qing; Qiu, Sicong; Su, Zheng; Fu, Xiaoying; Wang, Guoyu
2018-04-01
The objective of this paper is to apply CLSVOF method to investigate the single bubble dynamics in acoustic travelling waves. The Naiver-Stokes equation considering the acoustic radiation force is proposed and validated to capture the bubble behaviors. And the CLSVOF method, which can capture the continuous geometric properties and satisfies mass conservation, is applied in present work. Firstly, the regime map, depending on the dimensionless acoustic pressure amplitude and acoustic wave number, is constructed to present different bubble behaviors. Then, the time evolution of the bubble oscillation is investigated and analyzed. Finally, the effect of the direction and the damping coefficient of acoustic wave propagation on the bubble behavior are also considered. The numerical results show that the bubble presents distinct oscillation types in acoustic travelling waves, namely, volume oscillation, shape oscillation, and splitting oscillation. For the splitting oscillation, the formation of jet, splitting of bubble, and the rebound of sub-bubbles may lead to substantial increase in pressure fluctuations on the boundary. For the shape oscillation, the nodes and antinodes of the acoustic pressure wave contribute to the formation of the "cross shape" of the bubble. It should be noted that the direction of the bubble translation and bubble jet are always towards the direction of wave propagation. In addition, the damping coefficient causes bubble in shape oscillation to be of asymmetry in shape and inequality in size, and delays the splitting process. Copyright © 2017 Elsevier B.V. All rights reserved.
Andrews, Elisabeth; Ogren, John A.; Kinne, Stefan; Samset, Bjorn
2017-05-01
Here we present new results comparing aerosol optical depth (AOD), aerosol absorption optical depth (AAOD) and column single scattering albedo (SSA) obtained from in situ vertical profile measurements with AERONET ground-based remote sensing from two rural, continental sites in the US. The profiles are closely matched in time (within ±3 h) and space (within 15 km) with the AERONET retrievals. We have used Level 1.5 inversion retrievals when there was a valid Level 2 almucantar retrieval in order to be able to compare AAOD and column SSA below AERONET's recommended loading constraint (AOD > 0.4 at 440 nm). While there is reasonable agreement for the AOD comparisons, the direct comparisons of in situ-derived to AERONET-retrieved AAOD (or SSA) reveal that AERONET retrievals yield higher aerosol absorption than obtained from the in situ profiles for the low aerosol optical depth conditions prevalent at the two study sites. However, it should be noted that the majority of SSA comparisons for AOD440 > 0.2 are, nonetheless, within the reported SSA uncertainty bounds. The observation that, relative to in situ measurements, AERONET inversions exhibit increased absorption potential at low AOD values is generally consistent with other published AERONET-in situ comparisons across a range of locations, atmospheric conditions and AOD values. This systematic difference in the comparisons suggests a bias in one or both of the methods, but we cannot assess whether the AERONET retrievals are biased towards high absorption or the in situ measurements are biased low. Based on the discrepancy between the AERONET and in situ values, we conclude that scaling modeled black carbon concentrations upwards to match AERONET retrievals of AAOD should be approached with caution as it may lead to aerosol absorption overestimates in regions of low AOD. Both AERONET retrievals and in situ measurements suggest there is a systematic relationship between SSA and aerosol amount (AOD or aerosol light
International Nuclear Information System (INIS)
Nemkovski, K; Ioffe, A; Su, Y; Babcock, E; Schweika, W; Brückel, Th
2017-01-01
We present the concept and the results of the simulations of a new polarizer for the diffuse neutron scattering spectrometer DNS at MLZ. The concept of the polarizer is based on the idea of a bender made from the stack of the silicon wafers with a double-side supermirror polarizing coating and absorbing spacers in between. Owing to its compact design, such a system provides more free space for the arrangement of other instrument components. To reduce activation of the polarizer in the high intensity neutron beam of the DNS spectrometer we plan to use the Fe/Si supermirrors instead of currently used FeCoV/Ti:N ones. Using the VITESS simulation package we have performed simulations for horizontally focusing polarizing benders with different geometries in the combination with the double-focusing crystal monochromator of DNS. Neutron transmission and polarization efficiency as well as the effects of the focusing for convergent conventional C-benders and S-benders have been analyzed both for wedge-like and plane-parallel convergent geometries of the channels. The results of these simulations and the advantages/disadvantages of the various configurations are discussed. (paper)
Forrest, Katherine A; Pham, Tony; Georgiev, Peter A; Pinzan, Florian; Cioce, Christian R; Unruh, Tobias; Eckert, Juergen; Space, Brian
2015-07-07
Simulations of H2 sorption were performed in a metal-organic framework (MOF) consisting of Zn(2+) ions coordinated to 1,2,4-triazole and tetrafluoroterephthalate ligands (denoted [Zn(trz)(tftph)] in this work). The simulated H2 sorption isotherms reported in this work are consistent with the experimental data for the state points considered. The experimental H2 isosteric heat of adsorption (Qst) values for this MOF are approximately 8.0 kJ mol(-1) for the considered loading range, which is in the proximity of those determined from simulation. The experimental inelastic neutron scattering (INS) spectra for H2 in [Zn(trz)(tftph)] reveal at least two peaks that occur at low energies, which corresponds to high barriers to rotation for the respective sites. The most favorable sorption site in the MOF was identified from the simulations as sorption in the vicinity of a metal-coordinated H2O molecule, an exposed fluorine atom, and a carboxylate oxygen atom in a confined region in the framework. Secondary sorption was observed between the fluorine atoms of adjacent tetrafluoroterephthalate ligands. The H2 molecule at the primary sorption site in [Zn(trz)(tftph)] exhibits a rotational barrier that exceeds that for most neutral MOFs with open-metal sites according to an empirical phenomenological model, and this was further validated by calculating the rotational potential energy surface for H2 at this site.
Nemkovski, K.; Ioffe, A.; Su, Y.; Babcock, E.; Schweika, W.; Brückel, Th
2017-06-01
We present the concept and the results of the simulations of a new polarizer for the diffuse neutron scattering spectrometer DNS at MLZ. The concept of the polarizer is based on the idea of a bender made from the stack of the silicon wafers with a double-side supermirror polarizing coating and absorbing spacers in between. Owing to its compact design, such a system provides more free space for the arrangement of other instrument components. To reduce activation of the polarizer in the high intensity neutron beam of the DNS spectrometer we plan to use the Fe/Si supermirrors instead of currently used FeCoV/Ti:N ones. Using the VITESS simulation package we have performed simulations for horizontally focusing polarizing benders with different geometries in the combination with the double-focusing crystal monochromator of DNS. Neutron transmission and polarization efficiency as well as the effects of the focusing for convergent conventional C-benders and S-benders have been analyzed both for wedge-like and plane-parallel convergent geometries of the channels. The results of these simulations and the advantages/disadvantages of the various configurations are discussed.
International Nuclear Information System (INIS)
Olah, G.A.; Hjelm, R.P.; Lujan, M. Jr.
1996-01-01
We studied the design and performance of a small-angle neutron scattering (SANS) instrument for a proposed 1 MW, 60 Hz long pulsed spallation source at the Los Alamos Neutron Science Center (LANSCE). An analysis of the effects of source characteristics and chopper performance combined with instrument simulations using the LANSCE Monte Carlo instrument simulations package shows that the T 0 chopper should be no more than 5 m from the source with the frame overlap and frame definition choppers at 5.6 and greater than 7 m, respectively. The study showed that an optimal pulse structure has an exponential decaying tail with τ ∼ 750 μs. The Monte Carlo simulations were used to optimize the LPSS SANS, showing that an optimal length is 18 m. The simulations show that an instrument with variable length is best to match the needs of a given measurement. The performance of the optimized LPSS instrument was found to be comparable with present world standard instruments
International Nuclear Information System (INIS)
Krauss, A.R.; Auciello, O.
1992-01-01
Ion beam sputter-deposition is a technique currently used by many groups to produce single and multicomponent thin films. This technique provides several advantages over other deposition methods, which include the capability for yielding higher film density, accurate stoichiometry control, and smooth surfaces. However, the relatively high kinetic energies associated with ion beam sputtering also lead to difficulties if the process is not properly controlled. Computer simulations have been performed to determine net deposition rates, as well as the secondary erosion, lattice damage, and gas implantation in the films, associated with primary ions scattered from elemental Y, Ba and Cu targets used to produce high temperature superconducting Y-Ba-Cu-O films. The simulations were performed using the TRIM code for different ion masses and kinetic energies, and different deposition geometries. Results are presented for primary beams of Ar + , Kr + and Xe + incident on Ba and Cu targets at 0 degrees and 45 degrees with respect to the surface normal, with the substrate positioned at 0 degrees and 45 degrees. The calculations indicate that the target composition, mass and kinetic energy of the primary beam, angle of incidence on the target, and position and orientation of the substrate affect the film damage and trapped primary beam gas by up to 5 orders of magnitude
Energy Technology Data Exchange (ETDEWEB)
Poludniowski, Gavin G. [Joint Department of Physics, Division of Radiotherapy and Imaging, Institute of Cancer Research and Royal Marsden NHS Foundation Trust, Downs Road, Sutton, Surrey SM2 5PT, United Kingdom and Centre for Vision Speech and Signal Processing (CVSSP), Faculty of Engineering and Physical Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Evans, Philip M. [Centre for Vision Speech and Signal Processing (CVSSP), Faculty of Engineering and Physical Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom)
2013-04-15
Purpose: Monte Carlo methods based on the Boltzmann transport equation (BTE) have previously been used to model light transport in powdered-phosphor scintillator screens. Physically motivated guesses or, alternatively, the complexities of Mie theory have been used by some authors to provide the necessary inputs of transport parameters. The purpose of Part II of this work is to: (i) validate predictions of modulation transform function (MTF) using the BTE and calculated values of transport parameters, against experimental data published for two Gd{sub 2}O{sub 2}S:Tb screens; (ii) investigate the impact of size-distribution and emission spectrum on Mie predictions of transport parameters; (iii) suggest simpler and novel geometrical optics-based models for these parameters and compare to the predictions of Mie theory. A computer code package called phsphr is made available that allows the MTF predictions for the screens modeled to be reproduced and novel screens to be simulated. Methods: The transport parameters of interest are the scattering efficiency (Q{sub sct}), absorption efficiency (Q{sub abs}), and the scatter anisotropy (g). Calculations of these parameters are made using the analytic method of Mie theory, for spherical grains of radii 0.1-5.0 {mu}m. The sensitivity of the transport parameters to emission wavelength is investigated using an emission spectrum representative of that of Gd{sub 2}O{sub 2}S:Tb. The impact of a grain-size distribution in the screen on the parameters is investigated using a Gaussian size-distribution ({sigma}= 1%, 5%, or 10% of mean radius). Two simple and novel alternative models to Mie theory are suggested: a geometrical optics and diffraction model (GODM) and an extension of this (GODM+). Comparisons to measured MTF are made for two commercial screens: Lanex Fast Back and Lanex Fast Front (Eastman Kodak Company, Inc.). Results: The Mie theory predictions of transport parameters were shown to be highly sensitive to both grain size
Large-scale single-crystal growth of (CH3)2NH2CuCl3 for neutron scattering experiments
Park, Garam; Oh, In-Hwan; Park, J. M. Sungil; Park, Seong-Hun; Hong, Chang Seop; Lee, Kwang-Sei
2016-05-01
Neutron scattering studies on low-dimensional quantum spin systems require large-size single-crystals. Single-crystals of (CH3)2NH2CuCl3 showing low-dimensional magnetic behaviors were grown by a slow solvent evaporation method in a two-solvent system at different temperature settings. The best results were obtained for the bilayer solution of methanol and isopropanol with a molar ratio of 2:1 at 35 °C. The quality of the obtained single-crystals was tested by powder and single-crystal X-ray diffraction and single-crystal neutron diffraction. In addition, to confirm structural phase transitions (SPTs), thermal analysis and single-crystal X-ray diffraction at 300 K and 175 K, respectively, were conducted, confirming the presence of a SPT at Tup=288 K on heating and Tdown=285 K on cooling.
Database of Nucleon-Nucleon Scattering Cross Sections by Stochastic Simulation, Phase I
National Aeronautics and Space Administration — A database of nucleon-nucleon elastic differential and total cross sections will be generated by stochastic simulation of the quantum Liouville equation in the...
Luo, Chengtao; Bansal, Dipanshu; Li, Jiefang; Viehland, Dwight; Winn, Barry; Ren, Yang; Li, Xiaobing; Luo, Haosu; Delaire, Olivier
2017-11-01
Neutron and x-ray scattering measurements were performed on (N a1 /2B i1 /2 ) Ti O3-x at %BaTi O3 (NBT-x BT ) single crystals (x =4 , 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the Γ points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. In samples with compositions closest to the MPB, our inelastic neutron scattering investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and Γ points, respectively. These critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.
di Stasio, Stefano; Konstandopoulos, Athanasios G; Kostoglou, Margaritis
2002-03-01
The agglomeration kinetics of growing soot generated in a diffusion atmospheric flame are here studied in situ by light scattering technique to infer cluster morphology and size (fractal dimension D(f) and radius of gyration R(g)). SEM analysis is used as a standard reference to obtain primary particle size D(P) at different residence times. The number N(P) of primary particles per aggregate and the number concentration n(A) of clusters are evaluated on the basis of the measured angular patterns of the scattered light intensity. The major finding is that the kinetics of the coagulation process that yields to the formation of chain-like aggregates by soot primary particles (size 10 to 40 nm) can be described with a constant coagulation kernel beta(c,exp)=2.37x10(-9) cm3/s (coagulation constant tau(c) approximately = 0.28 ms). This result is in nice accord with the Smoluchowski coagulation equation in the free molecular regime, and, vice versa, it is in contrast with previous studies conducted by invasive (ex situ) techniques, which claimed the evidence in flames of coagulation rates much larger than the kinetic theory predictions. Thereafter, a number of numerical simulations is implemented to compare with the experimental results on primary particle growth rate and on the process of aggregate reshaping that is observed by light scattering at later residence times. The restructuring process is conjectured to occur, for not well understood reasons, as a direct consequence of the atomic rearrangement in the solid phase carbon due to the prolonged residence time within the flame. Thus, on one side, it is shown that the numerical simulations of primary size history compare well with the values of primary size from SEM experiment with a growth rate constant of primary diameter about 1 nm/s. On the other side, the evolution of aggregate morphology is found to be predictable by the numerical simulations when the onset of a first-order "thermal" restructuring mechanism is
International Nuclear Information System (INIS)
Dellerue, Serge
2000-01-01
Understand the structure-dynamics-function relation in the case of proteins is essential. But few experimental techniques allow to have access to knowledge of fast internal movements of biological macromolecules. With the neutron scattering method, it has been possible to study the reorientation dynamics of side chains and of polypeptide skeleton for two proteins in terms of water or detergent and of temperature. With the use of the molecular dynamics method, essential for completing and interpreting the experimental data, it has been possible to assess the different contributions of the whole structure of proteins to the overall dynamics. It has been shown that the polypeptide skeleton presents an energy relaxation comparable to those of the side chains. Moreover, it has been explained that the protein dynamics can only be understood in terms of relaxation time distribution. (author) [fr
Han, Tingting; Xu, Weiqi; Li, Jie; Freedman, Andrew; Zhao, Jian; Wang, Qingqing; Chen, Chen; Zhang, Yingjie; Wang, Zifa; Fu, Pingqing; Liu, Xingang; Sun, Yele
2017-02-01
Aerosol optical properties were measured in Beijing in summer and winter using a state-of-the-art cavity attenuated phase shift single scattering albedo monitor (CAPS PMssa) along with aerosol composition measurements by aerosol mass spectrometers and aethalometers. The SSA directly measured by the CAPS PMssa showed overall agreements with those derived from colocated measurements. However, substantial differences were observed during periods with low SSA values in both summer and winter, suggesting that interpretation of low SSA values needs to be cautious. The average (±σ) extinction coefficient (bext) and absorption coefficient (bap) were 336 (±343) Mm-1 and 44 (±41) Mm-1, respectively, during wintertime, which were approximately twice those observed in summer, while the average SSA was relatively similar, 0.86 (±0.06) and 0.85 (±0.04) in summer and winter, respectively. Further analysis showed that the variations in SSA can be approximately parameterized as a function of mass fraction of secondary particulate matter (fSPM), which is SSA = 0.74 + 0.19 × fSPM (fSPM > 0.3, r2 = 0.85). The contributions of aerosol species to extinction coefficients during the two seasons were also estimated. Our results showed that the light extinction was dominantly contributed by ammonium sulfate (30%) and secondary organic aerosol (22%) in summer, while organic aerosol was the largest contributor (51%) in winter. Consistently, SPM played the major role in visibility degradation in both seasons by contributing 70% of the total extinction.
Roh, Y. H.; Yoon, Y.; Kim, K.; Kim, J.; Kim, J.; Morishita, J.
2016-10-01
Scattered radiation is the main reason for the degradation of image quality and the increased patient exposure dose in diagnostic radiology. In an effort to reduce scattered radiation, a novel structure of an indirect flat panel detector has been proposed. In this study, a performance evaluation of the novel system in terms of image contrast as well as an estimation of the number of photons incident on the detector and the grid exposure factor were conducted using Monte Carlo simulations. The image contrast of the proposed system was superior to that of the no-grid system but slightly inferior to that of the parallel-grid system. The number of photons incident on the detector and the grid exposure factor of the novel system were higher than those of the parallel-grid system but lower than those of the no-grid system. The proposed system exhibited the potential for reduced exposure dose without image quality degradation; additionally, can be further improved by a structural optimization considering the manufacturer's specifications of its lead contents.
Directory of Open Access Journals (Sweden)
Jun Zhang
2018-01-01
Full Text Available The single scattering of P- and SV-waves by a cylindrical fiber with a partially imperfect bonding to the surrounding matrix is investigated, which benefits the characterization of the behavior of elastic waves in composite materials. The imperfect interface is modelled by the spring model. To solve the corresponding single scattering problem, a collocation point (CP method is introduced. Based on this method, influence of various aspects of the imperfect interface on the scattering of P- and SV-waves is studied. Results indicate that (i the total scattering cross section (SCS is almost symmetric about the axis α=π/2 with respect to the location (α of the imperfect interface, (ii imperfect interfaces located at α=0 and α=π highly reduce the total SCS under a P-wave incidence and imperfect interfaces located at α=π/2 reduce the total SCS most significantly under SV-incidence, and (iii under a P-wave incidence the SCS has a high sensitivity to the bonding level of imperfect interfaces when α is small, while it becomes more sensitive to the bonding level when α is larger under SV-wave incidence.
International Nuclear Information System (INIS)
Schaefer-Nolte, E O; Stoica, T; Gotschke, T; Limbach, F A; Gruetzmacher, D; Calarco, R; Sutter, E; Sutter, P
2010-01-01
In the literature, there are controversies on the interpretation of the appearance in InN Raman spectra of a strong scattering peak in the energy region of the unscreened longitudinal optical (LO) phonons, although a shift caused by the phonon-plasmon interaction is expected for the high conductance observed in this material. Most measurements on light scattering are performed on ensembles of InN nanowires (NWs). However, it is important to investigate the behavior of individual nanowires and here we report on micro-Raman measurements on single nanowires. When changing the polarization direction of the incident light from parallel to perpendicular to the wire, the expected reduction of the Raman scattering was observed for transversal optical (TO) and E 2 phonon scattering modes, while a strong symmetry-forbidden LO mode was observed independently on the laser polarization direction. Single Mg- and Si-doped crystalline InN nanowires were also investigated. Magnesium doping results in a sharpening of the Raman peaks, while silicon doping leads to an asymmetric broadening of the LO peak. The results can be explained based on the influence of the high electron concentration with a strong contribution of the surface accumulation layer and the associated internal electric field.
International Nuclear Information System (INIS)
Sutter, E.; Schafer-Nolte, E.O.; Stoica, T.; Gotschke, T.; Limbach, F.A.; Sutter, P.; Grutzmacher, D.; Calarco, R.
2010-01-01
In the literature, there are controversies on the interpretation of the appearance in InN Raman spectra of a strong scattering peak in the energy region of the unscreened longitudinal optical (LO) phonons, although a shift caused by the phonon-plasmon interaction is expected for the high conductance observed in this material. Most measurements on light scattering are performed on ensembles of InN nanowires (NWs). However, it is important to investigate the behavior of individual nanowires and here we report on micro-Raman measurements on single nanowires. When changing the polarization direction of the incident light from parallel to perpendicular to the wire, the expected reduction of the Raman scattering was observed for transversal optical (TO) and E2 phonon scattering modes, while a strong symmetry-forbidden LO mode was observed independently on the laser polarization direction. Single Mg- and Si-doped crystalline InN nanowires were also investigated. Magnesium doping results in a sharpening of the Raman peaks, while silicon doping leads to an asymmetric broadening of the LO peak. The results can be explained based on the influence of the high electron concentration with a strong contribution of the surface accumulation layer and the associated internal electric field.
Schäfer-Nolte, E O; Stoica, T; Gotschke, T; Limbach, F A; Sutter, E; Sutter, P; Grützmacher, D; Calarco, R
2010-08-06
In the literature, there are controversies on the interpretation of the appearance in InN Raman spectra of a strong scattering peak in the energy region of the unscreened longitudinal optical (LO) phonons, although a shift caused by the phonon-plasmon interaction is expected for the high conductance observed in this material. Most measurements on light scattering are performed on ensembles of InN nanowires (NWs). However, it is important to investigate the behavior of individual nanowires and here we report on micro-Raman measurements on single nanowires. When changing the polarization direction of the incident light from parallel to perpendicular to the wire, the expected reduction of the Raman scattering was observed for transversal optical (TO) and E(2) phonon scattering modes, while a strong symmetry-forbidden LO mode was observed independently on the laser polarization direction. Single Mg- and Si-doped crystalline InN nanowires were also investigated. Magnesium doping results in a sharpening of the Raman peaks, while silicon doping leads to an asymmetric broadening of the LO peak. The results can be explained based on the influence of the high electron concentration with a strong contribution of the surface accumulation layer and the associated internal electric field.
pF3D Simulations of Large Outer-Beam Brillouin Scattering from NIF Rugby Hohlraums
Langer, Steven; Strozzi, David; Chapman, Thomas; Amendt, Peter
2015-11-01
We assess the cause of large outer-beam stimulated Brillouin scattering (SBS) in a NIF shot with a rugby-shaped hohlraum, which has less wall surface loss and thus higher x-ray drive than a cylindrical hohlraum of the same radius. This shot differed from a prior rugby shot with low SBS in three ways: outer beam pointing, split-pointing of the four beams within each outer-beam quadruplet, and a small amount of neon added to the hohlraum helium fill gas. We use pF3D, a massively-parallel, paraxial-envelope laser plasma interaction code, with plasma profiles from the radiation-hydrodynamics code Lasnex. We determine which change between the two shots increased the SBS by adding them one at a time to the simulations. We compare the simulations to experimental data for total SBS power, its spatial distribution at the lens, and the SBS spectrum. For each shot, we use profiles from Lasnex simulations with and without a model for mix at the hohlraum wall-gas interface. Work performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344. Release number LLNL-ABS-674893.
International Nuclear Information System (INIS)
Cairns, Iver H.
2000-01-01
Langmuir waves driven to high levels by beam instabilities are subject to nonlinear processes, including the closely related processes of scattering off thermal ions (STI) and a decay process in which the ion response is organized into a product ion acoustic wave. Calculations of the nonlinear growth rates predict that the decay process should always dominate STI, creating two paradoxes. The first is that three independent computer simulation studies show STI proceeding, with no evidence for the decay at all. The second is that observations in space of type III solar radio bursts and Earth's foreshock, which the simulations were intended to model, show evidence for the decay proceeding but no evidence for STI. Resolutions to these paradoxes follow from the realization that a nonlinear process cannot proceed when its growth rate exceeds the minimum frequency of the participating waves, since the required collective response cannot be maintained and the waves cannot respond appropriately, and that a significant number of e-foldings and wave periods must be contained in the time available. It is shown that application of these ''collective'' and ''time scale'' constraints to the simulations explains why the decay does not proceed in them, as well as why STI proceeds in specific simulations. This appears to be the first demonstration that collective constraints are important in understanding nonlinear phenomena. Furthermore, applying these constraints to space observations, it is predicted that the decay should proceed (and dominate STI) in type III sources and the high beam speed regions of Earth's foreshock for a specific range of wave levels, with a possible role for STI alone at slightly higher wave levels. Deeper in the foreshock, for slower beams and weaker wave levels, the decay and STI are predicted to become ineffective. Suggestions are given for future testing of the collective constraint and an explanation for why waves in space are usually much weaker than
International Nuclear Information System (INIS)
Azraf Azman; Shahrir Abdullah; Mohd Rizal Mamat
2011-01-01
The cryogenic system for cooling Beryllium filter utilizing liquid nitrogen was designed, fabricated, tested and installed at SANS instrument of TRIGA MARK II PUSPATI research reactor. A computational fluid dynamics (CFD) modeling was used to predict the cooling performance of the beryllium for optimization of neutron beam resolution and transmission. This paper presents the transient CFD results of temperature distributions via the thermal link to the beryllium and simulation of heat flux. The simulation data are also compared with the experimental results for the cooling time and distribution to the beryllium. (author)
Johnson, Sylvester, IV
A CAE (Computer Aided Engineering) tool called SEEL (Simulation of Electron Energy Loss) is described in detail. SEEL simulates in any material the energy loss and trajectories of electrons in the complex, multilayered nanostructures typical of ULSI, at beam energies from 1 to 50 keV. Structures and materials are defined in the input file rather than in the source code of the program, for which flowcharts are included in addition to an explanation of the algorithms implemented. Satisfactory comparisons of simulated with experimental results are made of both secondary electron (SE) and backscattered electron (BSE) linescans across an array of MOS gate structures capped by rough oxide. Many other comparisons are made. The effects of varying line edge slopes on SE linescan peak shape are simulated and analyzed. A data library containing the simulated variation of the FWHM, peak height, and peak location with slope for different materials, line heights or trench depths, widths, beam energies, and nominal diameters could be used to find the edge location relative to the peak for improvement of the accuracy of linewidth measurement algorithms. An investigation indicates that the use of such a library would be complicated by the effect of surface roughness on the SE signal at the edge of a feature. SEEL can be used as the first module in a series of programs that simulate energy deposition in resist structures and correct the exposure of a circuit pattern. Pixel by pixel convolution for prediction of the proximity effect is time-consuming. Another method of proximity effect prediction based on the reciprocity of the RED is described. Such programs could be used to reduce the number of iterations in the lab required to optimize resist structures and exposure parameters. For both smooth and rough interfaces between a bottom layer of PMMA in a multilayer resist structure and a W film, the simulated exposure contrast declines from that with an oxide film beneath the structure
Dhindsa, Gurpreet K; Bhowmik, Debsindhu; Goswami, Monojoy; O'Neill, Hugh; Mamontov, Eugene; Sumpter, Bobby G; Hong, Liang; Ganesh, Panchapakesan; Chu, Xiang-Qiang
2016-09-14
Nontoxic, biocompatible nanodiamonds (ND) have recently been implemented in rational, systematic design of optimal therapeutic use in nanomedicines. However, hydrophilicity of the ND surface strongly influences structure and dynamics of biomolecules that restrict in situ applications of ND. Therefore, fundamental understanding of the impact of hydrophilic ND surface on biomolecules at the molecular level is essential. For tRNA, we observe an enhancement of dynamical behavior in the presence of ND contrary to generally observed slow motion at strongly interacting interfaces. We took advantage of neutron scattering experiments and computer simulations to demonstrate this atypical faster dynamics of tRNA on ND surface. The strong attractive interactions between ND, tRNA, and water give rise to unlike dynamical behavior and structural changes of tRNA in front of ND compared to without ND. Our new findings may provide new design principles for safer, improved drug delivery platforms.
Radar Image Simulation: Validation of the Point Scattering Method. Volume 2
1977-09-01
the Engineer Topographic Labor - atory (ETL), Fort Belvoir, Virginia. This Radar Simulation Study was performed to validate the point tcattering radar...e.n For radar, the number of Independent samples in a given re.-olution cell is given by 5 ,: N L 2w (16) L Acoso where: 0 Radar incidence angle; w
International Nuclear Information System (INIS)
Jacquot, C.
1976-01-01
Computer simulation and nuclear emulsion and gelatin techniques enabled to give the total elastic and inelastic cross sections and to forecast the spatial microdose distributions in cells, nuclei and molecules. For this purpose, the transport of a beam into tissues having a given composition is calculated, the nuclear reactions are generated and the energy depositions in standard planes perpendicular to the beam are recorded
Peng, Lixin; Chen, De; Setlow, Peter; Li, Yong-qing
2009-01-01
Raman scattering spectroscopy and elastic light scattering intensity (ESLI) were used to simultaneously measure levels of Ca-dipicolinic acid (CaDPA) and changes in spore morphology and refractive index during germination of individual B. subtilis spores with and without the two redundant enzymes (CLEs), CwlJ and SleB, that degrade spores’ peptidoglycan cortex. Conclusions from these measurements include: 1) CaDPA release from individual wild-type germinating spores was biphasic; in a first h...
Communication: Multiple atomistic force fields in a single enhanced sampling simulation
Energy Technology Data Exchange (ETDEWEB)
Hoang Viet, Man [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202 (United States); Derreumaux, Philippe, E-mail: philippe.derreumaux@ibpc.fr [Laboratoire de Biochimie Théorique, UPR 9080, CNRS, Université Denis Diderot, Sorbonne Paris Cité IBPC, 13 rue Pierre et Marie Curie, 75005 Paris (France); Institut Universitaire de France, 103 Bvd Saint-Germain, 75005 Paris (France); Nguyen, Phuong H., E-mail: phuong.nguyen@ibpc.fr [Laboratoire de Biochimie Théorique, UPR 9080, CNRS, Université Denis Diderot, Sorbonne Paris Cité IBPC, 13 rue Pierre et Marie Curie, 75005 Paris (France)
2015-07-14
The main concerns of biomolecular dynamics simulations are the convergence of the conformational sampling and the dependence of the results on the force fields. While the first issue can be addressed by employing enhanced sampling techniques such as simulated tempering or replica exchange molecular dynamics, repeating these simulations with different force fields is very time consuming. Here, we propose an automatic method that includes different force fields into a single advanced sampling simulation. Conformational sampling using three all-atom force fields is enhanced by simulated tempering and by formulating the weight parameters of the simulated tempering method in terms of the energy fluctuations, the system is able to perform random walk in both temperature and force field spaces. The method is first demonstrated on a 1D system and then validated by the folding of the 10-residue chignolin peptide in explicit water.
International Nuclear Information System (INIS)
Piroga, S.A.
2001-01-01
Experimental observation using a method of inelastic scattering of thermal neutrons the longitudinal phonons in the G-Z, G-X and G-L directions in CdI 2 singe crystal has been obtained. The phonon subsystem observed in the case of CdI 2 single crystals is two dimensional. This is because of the fact that interlayer interactions are weak in compare to intra layer interactions
Czech Academy of Sciences Publication Activity Database
Uhlířová, T.; Mojzeš, P.; Melníková Komínková, Zuzana; Kalbáč, Martin; Sutrová, Veronika; Šloufová, I.; Vlčková, B.
2017-01-01
Roč. 48, č. 10 (2017), s. 1270-1281 ISSN 0377-0486 R&D Projects: GA ČR(CZ) GA15-01953S Institutional support: RVO:61388955 ; RVO:61389013 Keywords : graphene-enhanced Raman scattering * single-layer graphene * free base phthalocyanine * Raman excitation profiles * photoinduced charge transfer Subject RIV: CF - Physical ; Theoretical Chemistry; CD - Macromolecular Chemistry (UMCH-V) OBOR OECD: Physical chemistry; Polymer science (UMCH-V) Impact factor: 2.969, year: 2016
Effect of the multiple scattering of electrons in Monte Carlo simulation of LINACS
International Nuclear Information System (INIS)
Vilches, Manuel; Garcia-Pareja, Salvador; Guerrero, Rafael; Anguiano, Marta; Lallena, Antonio M.
2008-01-01
Results obtained from Monte Carlo simulations of the transport of electrons in thin slabs of dense material media and air slabs with different widths are analyzed. Various general purpose Monte Carlo codes have been used: PENELOPE, GEANT3, GEANT4, EGSnrc, MCNPX. Non-negligible differences between the angular and radial distributions after the slabs have been found. The effects of these differences on the depth doses measured in water are also discussed
Conway, Nathan E; Romanelli, John R; Bush, Ron W; Seymour, Neal E
2014-02-01
Single-port laparoscopic surgery imposes unique psychomotor challenges. We used surgical simulation to define performance differences between surgeons with and without single-port clinical experience and examined whether a short course of training resulted in improved performance. Study participants were assigned to 3 groups: resident group (RES), experienced laparoscopic surgeons with (SP) and without (LAP) prior single-port laparoscopic experience. Participants performed the Fundamentals of Laparoscopic Surgery precision cutting task on a ProMIS trainer through conventional ports or with articulating instruments via a SILS Port (Covidien, Inc). Two iterations of each method were performed. Then, 6 residents performed 10 successive single-port iterations to assess the effect of practice on task performance. The SP group had faster task times for both laparoscopic (P = .0486) and single-port (P = .0238) methods. The LAP group had longer path lengths for the single-port task than for the laparoscopic task (P = .03). The RES group was slower (P = .0019), with longer path length (P = .0010) but with greater smoothness (P = .0186) on the single-port task than the conventional laparoscopic task. Resident performance task time (P = .005) and smoothness (P = .045) improved with successive iterations. Our data show that surgeons with clinical single-port surgery experience perform a simulated single-port surgical task better than inexperienced single-port surgeons. Furthermore, this performance is comparable to that achieved with conventional laparoscopic techniques. Performance of residents declined dramatically when confronted with the challenges of the single-port task but improved with practice. These results suggest a role for lab-based single-port training.
Determinant method and quantum simulations of many-body effects in a single impurity Anderson model
International Nuclear Information System (INIS)
Gubernatis, J.E.; Olson, T.; Scalapino, D.J.; Sugar, R.L.
1985-01-01
A short description is presented of a quantum Monte Carlo technique, often referred to as the determinant method, that has proved useful for simulating many-body effects in systems of interacting fermions at finite temperatures. Preliminary results using this technique on a single impurity Anderson model are reported. Examples of such many-body effects as local moment formation, Kondo behavior, and mixed valence phenomena found in the simulations are shown. 10 refs., 3 figs
International Nuclear Information System (INIS)
Chou Chau, Yuan-Fong; Lim, Chee Ming; Kumara, N. T. R. N.; Yoong, Voo Nyuk; Lee, Chuanyo; Huang, Hung Ji; Lin, Chun-Ting; Chiang, Hai-Pang
2016-01-01
Tunable surface plasmon resonance (SPR) and dipole cavity plasmon modes of the scattering cross section (SCS) spectra on the single solid-gold/gold-shell nanorod have been numerically investigated by using the finite element method. Various effects, such as the influence of SCS spectra under x- and y-polarizations on the surface of the single solid-gold/gold-shell nanorod, are discussed in detail. With the single gold-shell nanorod, one can independently tune the relative SCS spectrum width by controlling the rod length and rod diameter, and the surface scattering by varying the shell thickness and polarization direction, as well as the dipole peak energy. These behaviors are consistent with the properties of localized SPRs and offer a way to optically control and produce selected emission wavelengths from the single solid-gold/gold-shell nanorod. The electric field and magnetic distributions provide us a qualitative idea of the geometrical properties of the single solid-gold/gold-shell nanorod on plasmon resonance.
National Research Council Canada - National Science Library
Pitarka, Arban; Helmberger, Don V; Ni, Sidao
2008-01-01
... into ongoing research for the development of simple empirical models of scattering that can be used in reducing the scatter in measures of Lg and coda wave magnitude and for discrimination purposes as well...
Geant4 simulations on Compton scattering of laser photons on relativistic electrons
Energy Technology Data Exchange (ETDEWEB)
Filipescu, D. [Extreme Light Infrastructure - Nuclear Physics, str. Atomistilor nr. 407, Bucharest-Magurele, P.O.BOX MG6, Romania and National Institute for Physics and Nuclear Engineering Horia Hulubei, str. Atomistilor nr. 407 (Romania); Utsunomiya, H. [Department of Physics, Konan University, Okamoto 8-9-1, Higashinada, Kobe 658-8501 (Japan); Gheorghe, I.; Glodariu, T. [National Institute for Physics and Nuclear Engineering Horia Hulubei, str. Atomistilor nr. 407 (Romania); Tesileanu, O. [Extreme Light Infrastructure - Nuclear Physics, str. Atomistilor nr. 407, Bucharest-Magurele, P.O.BOX MG6 (Romania); Shima, T.; Takahisa, K. [Research Center for Nuclear Physics, Osaka University, Suita, Osaka 567-0047 (Japan); Miyamoto, S. [Laboratory of Advanced Science and Technology for Industry, University of Hyogo, 3-1-2 Kouto, Kamigori, Hyogo 678-1205 (Japan)
2015-02-24
Using Geant4, a complex simulation code of the interaction between laser photons and relativistic electrons was developed. We implemented physically constrained electron beam emittance and spacial distribution parameters and we also considered a Gaussian laser beam. The code was tested against experimental data produced at the γ-ray beam line GACKO (Gamma Collaboration Hutch of Konan University) of the synchrotron radiation facility NewSUBARU. Here we will discuss the implications of transverse missallignments of the collimation system relative to the electron beam axis.
Event-by-event simulation of single-neutron experiments to test uncertainty relations
International Nuclear Information System (INIS)
Raedt, H De; Michielsen, K
2014-01-01
Results from a discrete-event simulation of a recent single-neutron experiment that tests Ozawa's generalization of Heisenberg's uncertainty relation are presented. The event-based simulation algorithm reproduces the results of the quantum theoretical description of the experiment but does not require the knowledge of the solution of a wave equation, nor does it rely on detailed concepts of quantum theory. In particular, the data from these non-quantum simulations satisfy uncertainty relations derived in the context of quantum theory. (paper)
Design and simulation of ion optics for ion sources for production of singly charged ions
Zelenak, A.; Bogomolov, S. L.
2004-05-01
During the last 2 years different types of the singly charged ion sources were developed for FLNR (JINR) new projects such as Dubna radioactive ion beams, (Phase I and Phase II), the production of the tritium ion beam and the MASHA mass separator. The ion optics simulations for 2.45 GHz electron cyclotron resonance source, rf source, and the plasma ion source were performed. In this article the design and simulation results of the optics of new ion sources are presented. The results of simulation are compared with measurements obtained during the experiments.
Design and simulation of ion optics for ion sources for production of singly charged ions
International Nuclear Information System (INIS)
Zelenak, A.; Bogomolov, S.L.
2004-01-01
During the last 2 years different types of the singly charged ion sources were developed for FLNR (JINR) new projects such as Dubna radioactive ion beams, (Phase I and Phase II), the production of the tritium ion beam and the MASHA mass separator. The ion optics simulations for 2.45 GHz electron cyclotron resonance source, rf source, and the plasma ion source were performed. In this article the design and simulation results of the optics of new ion sources are presented. The results of simulation are compared with measurements obtained during the experiments
Simulation of Sweep-Jet Flow Control, Single Jet and Full Vertical Tail
Childs, Robert E.; Stremel, Paul M.; Garcia, Joseph A.; Heineck, James T.; Kushner, Laura K.; Storms, Bruce L.
2016-01-01
This work is a simulation technology demonstrator, of sweep jet flow control used to suppress boundary layer separation and increase the maximum achievable load coefficients. A sweep jet is a discrete Coanda jet that oscillates in the plane parallel to an aerodynamic surface. It injects mass and momentum in the approximate streamwise direction. It also generates turbulent eddies at the oscillation frequency, which are typically large relative to the scales of boundary layer turbulence, and which augment mixing across the boundary layer to attack flow separation. Simulations of a fluidic oscillator, the sweep jet emerging from a nozzle downstream of the oscillator, and an array of sweep jets which suppresses boundary layer separation are performed. Simulation results are compared to data from a dedicated validation experiment of a single oscillator and its sweep jet, and from a wind tunnel test of a full-scale Boeing 757 vertical tail augmented with an array of sweep jets. A critical step in the work is the development of realistic time-dependent sweep jet inflow boundary conditions, derived from the results of the single-oscillator simulations, which create the sweep jets in the full-tail simulations. Simulations were performed using the computational fluid dynamics (CFD) solver Overow, with high-order spatial discretization and a range of turbulence modeling. Good results were obtained for all flows simulated, when suitable turbulence modeling was used.
DEFF Research Database (Denmark)
Farhi, E.; Y., Debab,; Willendrup, Peter Kjær
2014-01-01
and noisy problems. These optimizers can then be used to fit models onto data objects, and optimize McStas instrument simulations. As an application, we propose a methodology to analyse neutron scattering measurements in a pure Monte Carlo optimization procedure using McStas and iFit. As opposed...
Kwiatkowska, J.; Maniawski, F.; Matsumoto, I.; Kawata, H.; Shiotani, N.; Lityńska, L.; Kaprzyk, S.; Bansil, A.
2004-08-01
We have measured high resolution Compton scattering profiles for momentum transfer along a series of 28 independent directions from Cu0.842Al0.158 disordered alloy single crystals with normals to the surfaces oriented along the [100], [110], and [111] directions. The experimental spectra are interpreted via parallel first-principles KKR-CPA (Korringa-Kohn-Rostoker coherent-potential approximation) computations of these directional profiles. The Fermi surface determined by inverting the Compton data is found to be in good agreement with the KKR-CPA predictions. An electron diffraction study of the present Cu0.842Al0.158 sample is additionally undertaken to gain insight into short-range ordering effects. The scattering pattern displays not only the familiar diffuse scattering peaks, but also shows the presence of weak streaks interconnecting the four diffuse scattering spots around the (110) reciprocal lattice points. This study provides a comprehensive picture of the evolution of the shape of the Fermi surface of Cu with the addition of Al . Our results are consistent with the notion that Fermi surface nesting is an important factor in driving short-range ordering effects in disordered alloys.
A comparison of single column model simulations of summertime midlatitude continental convection
Energy Technology Data Exchange (ETDEWEB)
Ghan, Steven [Pacific Northwest National Laboratory, Richland, Washington (United States); Randall, David [Department of Atmospospheric Science, Colorado State University, Fort Collins, Colorado (United States); Xu, Kuan-Man [Department of Atmospospheric Science, Colorado State University, Fort Collins, Colorado (United States); Cederwall, Richard [Lawrence Livermore National Laboratory, Livermore, California (United States); Cripe, Douglas [Department of Atmospospheric Science, Colorado State University, Fort Collins, Colorado (United States); Hack, James [National Center for Atmospheric Research, Boulder, Colorado (United States); Iacobellis, Sam [Scripps Institution of Oceanography, University of California, La Jolla (United States); Klein, Stephen [Geophysical Fluid Dynamics Laboratory, Princeton, New Jersey (United States); Krueger, Steven [Department of Meterology, University of Utah, Salt Lake City, Utah (United States); Lohmann, Ulrike [Department of Physics and Oceanography, Dalhousie University, Halifax, Nova Scotia (Canada)] (and others)
2000-01-27
Eleven different single-column models (SCMs) and one cloud ensemble model (CEM) are driven by boundary conditions observed at the Atmospheric Radiation Measurement (ARM) program southern Great Plains site for a 17 day period during the summer of 1995. Comparison of the model simulations reveals common signatures identifiable as products of errors in the boundary conditions. Intermodel differences in the simulated temperature, humidity, cloud, precipitation, and radiative fluxes reflect differences in model resolution or physical parameterizations, although sensitive dependence on initial conditions can also contribute to intermodel differences. All models perform well at times but poorly at others. Although none of the SCM simulations stands out as superior to the others, the simulation by the CEM is in several respects in better agreement with the observations than the simulations by the SCMs. Nudging of the simulated temperature and humidity toward observations generally improves the simulated cloud and radiation fields as well as the simulated temperature and humidity but degrades the precipitation simulation for models with large temperature and humidity biases without nudging. Although some of the intermodel differences have not been explained, others have been identified as model problems that can be or have been corrected as a result of the comparison. (c) 2000 American Geophysical Union.
A comparison of single column model simulations of summertime midlatitude continental convection
International Nuclear Information System (INIS)
Ghan, Steven; Randall, David; Xu, Kuan-Man; Cederwall, Richard; Cripe, Douglas; Hack, James; Iacobellis, Sam; Klein, Stephen; Krueger, Steven; Lohmann, Ulrike
2000-01-01
Eleven different single-column models (SCMs) and one cloud ensemble model (CEM) are driven by boundary conditions observed at the Atmospheric Radiation Measurement (ARM) program southern Great Plains site for a 17 day period during the summer of 1995. Comparison of the model simulations reveals common signatures identifiable as products of errors in the boundary conditions. Intermodel differences in the simulated temperature, humidity, cloud, precipitation, and radiative fluxes reflect differences in model resolution or physical parameterizations, although sensitive dependence on initial conditions can also contribute to intermodel differences. All models perform well at times but poorly at others. Although none of the SCM simulations stands out as superior to the others, the simulation by the CEM is in several respects in better agreement with the observations than the simulations by the SCMs. Nudging of the simulated temperature and humidity toward observations generally improves the simulated cloud and radiation fields as well as the simulated temperature and humidity but degrades the precipitation simulation for models with large temperature and humidity biases without nudging. Although some of the intermodel differences have not been explained, others have been identified as model problems that can be or have been corrected as a result of the comparison. (c) 2000 American Geophysical Union
Directory of Open Access Journals (Sweden)
Andreas van Hameren
2018-01-01
Full Text Available We discuss production of two μ+μ− pairs in ultraperipheral ultrarelativistic heavy ion collisions at the LHC. We take into account electromagnetic (two-photon double-scattering production and for a first time direct γγ production of four muons in one scattering. We study the unexplored process γγ→μ+μ−μ+μ−. We present predictions for total and differential cross sections. Measurable nuclear cross sections are obtained and corresponding differential distributions and counting rates are presented.
Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation
Saad, Ahmed Mohamed
2016-01-01
potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical
Ten Cate, A.; Nieuwstad, C.H.; Derksen, J.J.; Van den Akker, H.E.A.
2002-01-01
A comparison is made between experiments and simulations on a single sphere settling in silicon oil in a box. Cross-correlation particle imaging velocimetry measurements were carried out at particle Reynolds numbers ranging from 1.5 to 31.9. The particle Stokes number varied from 0.2 to 4 and at
DEFF Research Database (Denmark)
Donolato, M.; Gobbi, M.; Cantoni, M.
2010-01-01
magnetoresistance effect and hence an electrical signal. In this paper we use micromagnetic simulations to calculate the output signal of a particularly shaped device in the presence of a single synthetic antiferromagnetic nanoparticle. The calculated magnetoresistive signal is in good agreement with corresponding...
Substructuring in the implicit simulation of single point incremental sheet forming
Hadoush, A.; van den Boogaard, Antonius H.
2009-01-01
This paper presents a direct substructuring method to reduce the computing time of implicit simulations of single point incremental forming (SPIF). Substructuring is used to divide the finite element (FE) mesh into several non-overlapping parts. Based on the hypothesis that plastic deformation is
Hydration of Caffeine at High Temperature by Neutron Scattering and Simulation Studies.
Tavagnacco, L; Brady, J W; Bruni, F; Callear, S; Ricci, M A; Saboungi, M L; Cesàro, A
2015-10-22
The solvation of caffeine in water is examined with neutron diffraction experiments at 353 K. The experimental data, obtained by taking advantage of isotopic H/D substitution in water, were analyzed by empirical potential structure refinement (EPSR) in order to extract partial structure factors and site-site radial distribution functions. In parallel, molecular dynamics (MD) simulations were carried out to interpret the data and gain insight into the intermolecular interactions in the solutions and the solvation process. The results obtained with the two approaches evidence differences in the individual radial distribution functions, although both confirm the presence of caffeine stacks at this temperature. The two approaches point to different accessibility of water to the caffeine sites due to different stacking configurations.
Frey, S; Weysser, F; Meyer, H; Farago, J; Fuchs, M; Baschnagel, J
2015-02-01
We present molecular-dynamics simulations for a fully flexible model of polymer melts with different chain length N ranging from short oligomers (N = 4) to values near the entanglement length (N = 64). For these systems we explore the structural relaxation of the supercooled melt near the critical temperature T c of mode-coupling theory (MCT). Coherent and incoherent scattering functions are analyzed in terms of the idealized MCT. For temperatures T > T c we provide evidence for the space-time factorization property of the β relaxation and for the time-temperature superposition principle (TTSP) of the α relaxation, and we also discuss deviations from these predictions for T ≈ T c. For T larger than the smallest temperature where the TTSP holds we perform a quantitative analysis of the dynamics with the asymptotic MCT predictions for the late β regime. Within MCT a key quantity, in addition to T c, is the exponent parameter λ. For the fully flexible polymer models studied we find that λ is independent of N and has a value (λ = 0.735 ) typical of simple glass-forming liquids. On the other hand, the critical temperature increases with chain length toward an asymptotic value T c (∞) . This increase can be described by T c (∞) - T c(N) ∼ 1/N and may be interpreted in terms of the N dependence of the monomer density ρ, if we assume that the MCT glass transition is ruled by a soft-sphere-like constant coupling parameter Γ c = ρ c T c (-1/4), where ρ c is the monomer density at T c. In addition, we also estimate T c from a Hansen-Verlet-like criterion and MCT calculations based on structural input from the simulation. For our polymer model both the Hansen-Verlet criterion and the MCT calculations suggest T c to decrease with increasing chain length, in contrast to the direct analysis of the simulation data.
Energy Technology Data Exchange (ETDEWEB)
Klein, S A; McCoy, R B; Morrison, H; Ackerman, A; Avramov, A; deBoer, G; Chen, M; Cole, J; DelGenio, A; Golaz, J; Hashino, T; Harrington, J; Hoose, C; Khairoutdinov, M; Larson, V; Liu, X; Luo, Y; McFarquhar, G; Menon, S; Neggers, R; Park, S; Poellot, M; von Salzen, K; Schmidt, J; Sednev, I; Shipway, B; Shupe, M; Spangenberg, D; Sud, Y; Turner, D; Veron, D; Falk, M; Foster, M; Fridlind, A; Walker, G; Wang, Z; Wolf, A; Xie, S; Xu, K; Yang, F; Zhang, G
2008-02-27
Results are presented from an intercomparison of single-column and cloud-resolving model simulations of a cold-air outbreak mixed-phase stratocumulus cloud observed during the Atmospheric Radiation Measurement (ARM) program's Mixed-Phase Arctic Cloud Experiment. The observed cloud occurred in a well-mixed boundary layer with a cloud top temperature of -15 C. The observed liquid water path of around 160 g m{sup -2} was about two-thirds of the adiabatic value and much greater than the mass of ice crystal precipitation which when integrated from the surface to cloud top was around 15 g m{sup -2}. The simulations were performed by seventeen single-column models (SCMs) and nine cloud-resolving models (CRMs). While the simulated ice water path is generally consistent with the observed values, the median SCM and CRM liquid water path is a factor of three smaller than observed. Results from a sensitivity study in which models removed ice microphysics indicate that in many models the interaction between liquid and ice-phase microphysics is responsible for the large model underestimate of liquid water path. Despite this general underestimate, the simulated liquid and ice water paths of several models are consistent with the observed values. Furthermore, there is some evidence that models with more sophisticated microphysics simulate liquid and ice water paths that are in better agreement with the observed values, although considerable scatter is also present. Although no single factor guarantees a good simulation, these results emphasize the need for improvement in the model representation of mixed-phase microphysics. This case study, which has been well observed from both aircraft and ground-based remote sensors, could be a benchmark for model simulations of mixed-phase clouds.
Wapenaar, Kees; Thorbecke, Jan; van der Neut, Joost
2016-04-01
Green's theorem plays a fundamental role in a diverse range of wavefield imaging applications, such as holographic imaging, inverse scattering, time-reversal acoustics and interferometric Green's function retrieval. In many of those applications, the homogeneous Green's function (i.e. the Green's function of the wave equation without a singularity on the right-hand side) is represented by a closed boundary integral. In practical applications, sources and/or receivers are usually present only on an open surface, which implies that a significant part of the closed boundary integral is by necessity ignored. Here we derive a homogeneous Green's function representation for the common situation that sources and/or receivers are present on an open surface only. We modify the integrand in such a way that it vanishes on the part of the boundary where no sources and receivers are present. As a consequence, the remaining integral along the open surface is an accurate single-sided representation of the homogeneous Green's function. This single-sided representation accounts for all orders of multiple scattering. The new representation significantly improves the aforementioned wavefield imaging applications, particularly in situations where the first-order scattering approximation breaks down.
Numerical Simulation of single-stage axial fan operation under dusty flow conditions
Minkov, L. L.; Pikushchak, E. V.
2017-11-01
Assessment of the aerodynamic efficiency of the single-stage axial flow fan under dusty flow conditions based on a numerical simulation using the computational package Ansys-Fluent is proposed. The influence of dust volume fraction on the dependences of the air volume flow rate and the pressure drop on the rotational speed of rotor is demonstrated. Matching functions for formulas describing a pressure drop and volume flow rate in dependence on the rotor speed and dust content are obtained by numerical simulation for the single-stage axial fan. It is shown that the aerodynamic efficiency of the single-stage axial flow fan decreases exponentially with increasing volume content of dust in the air.
Energy Technology Data Exchange (ETDEWEB)
Cairns, Iver H.
2000-12-01
Langmuir waves driven to high levels by beam instabilities are subject to nonlinear processes, including the closely related processes of scattering off thermal ions (STI) and a decay process in which the ion response is organized into a product ion acoustic wave. Calculations of the nonlinear growth rates predict that the decay process should always dominate STI, creating two paradoxes. The first is that three independent computer simulation studies show STI proceeding, with no evidence for the decay at all. The second is that observations in space of type III solar radio bursts and Earth's foreshock, which the simulations were intended to model, show evidence for the decay proceeding but no evidence for STI. Resolutions to these paradoxes follow from the realization that a nonlinear process cannot proceed when its growth rate exceeds the minimum frequency of the participating waves, since the required collective response cannot be maintained and the waves cannot respond appropriately, and that a significant number of e-foldings and wave periods must be contained in the time available. It is shown that application of these ''collective'' and ''time scale'' constraints to the simulations explains why the decay does not proceed in them, as well as why STI proceeds in specific simulations. This appears to be the first demonstration that collective constraints are important in understanding nonlinear phenomena. Furthermore, applying these constraints to space observations, it is predicted that the decay should proceed (and dominate STI) in type III sources and the high beam speed regions of Earth's foreshock for a specific range of wave levels, with a possible role for STI alone at slightly higher wave levels. Deeper in the foreshock, for slower beams and weaker wave levels, the decay and STI are predicted to become ineffective. Suggestions are given for future testing of the collective constraint and an explanation
Czech Academy of Sciences Publication Activity Database
Franzreb, K.; Williams, P.; Lörinčík, Jan; Šroubek, Zdeněk
203-204, 1/4 (2003), s. 39-42 ISSN 0169-4332 Institutional research plan: CEZ:AV0Z2067918; CEZ:AV0Z4040901 Keywords : low-energy ion scattering * doubly charged ions * molecular orbital Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.284, year: 2003
DEFF Research Database (Denmark)
Dery, H.; Tromborg, Bjarne; Eisenstein, G.
2003-01-01
We describe a theoretical model for carrier-carrier scattering in an inverted semiconductor quantum well structure using a multisubband diagram. The model includes all possible nonvanishing interaction terms within the static screening approximation, and it enables one to calculate accurately...
International Nuclear Information System (INIS)
Bublik, B.T.; Zotov, N.M.
1997-01-01
Microdefects in the regions of Si crystals having different thermal history defined by growth conditions was studied by the X-ray diffuse scattering method on a triple crystal X-ray diffractometer. It was shown that in such crystals the microdefects with positive strength are prevalent. However, between the above indicated regions the defects with the strength of opposite sign prevail
International Nuclear Information System (INIS)
Husin Wagiran; Wan Mohd Nasir Wan Kadir
1997-01-01
In neutron scattering processes, the effect of multiple scattering is to cause an effective increase in the measured cross-sections due to increase on the probability of neutron scattering interactions in the sample. Analysis of how the effective cross-section varies with thickness is very complicated due to complicated sample geometries and the variations of scattering cross-section with energy. Monte Carlo method is one of the possible method for treating the multiple scattering processes in the extended sample. In this method a lot of approximations have to be made and the accurate data of microscopic cross-sections are needed at various angles. In the present work, a Monte Carlo simulation programme suitable for a small computer was developed. The programme was capable to predict the number of neutrons scattered from various thickness of aluminium samples at all possible angles between 00 to 36011 with 100 increments. In order to make the the programme not too complicated and capable of being run on microcomputer with reasonable time, the calculations was done in two dimension coordinate system. The number of neutrons predicted from this model show in good agreement with previous experimental results
Interpretation of Cellular Imaging and AQP4 Quantification Data in a Single Cell Simulator
Directory of Open Access Journals (Sweden)
Seon B. Kim
2014-03-01
Full Text Available The goal of the present study is to integrate different datasets in cell biology to derive additional quantitative information about a gene or protein of interest within a single cell using computational simulations. We propose a novel prototype cell simulator as a quantitative tool to integrate datasets including dynamic information about transcript and protein levels and the spatial information on protein trafficking in a complex cellular geometry. In order to represent the stochastic nature of transcription and gene expression, our cell simulator uses event-based stochastic simulations to capture transcription, translation, and dynamic trafficking events. In a reconstructed cellular geometry, a realistic microtubule structure is generated with a novel growth algorithm for simulating vesicular transport and trafficking events. In a case study, we investigate the change in quantitative expression levels of a water channel-aquaporin 4-in a single astrocyte cell, upon pharmacological treatment. Gillespie based discrete time approximation method results in stochastic fluctuation of mRNA and protein levels. In addition, we compute the dynamic trafficking of aquaporin-4 on microtubules in this reconstructed astrocyte. Computational predictions are validated with experimental data. The demonstrated cell simulator facilitates the analysis and prediction of protein expression dynamics.
Directory of Open Access Journals (Sweden)
Surendra P. Verma
2014-01-01
Full Text Available Using highly precise and accurate Monte Carlo simulations of 20,000,000 replications and 102 independent simulation experiments with extremely low simulation errors and total uncertainties, we evaluated the performance of four single outlier discordancy tests (Grubbs test N2, Dixon test N8, skewness test N14, and kurtosis test N15 for normal samples of sizes 5 to 20. Statistical contaminations of a single observation resulting from parameters called δ from ±0.1 up to ±20 for modeling the slippage of central tendency or ε from ±1.1 up to ±200 for slippage of dispersion, as well as no contamination (δ=0 and ε=±1, were simulated. Because of the use of precise and accurate random and normally distributed simulated data, very large replications, and a large number of independent experiments, this paper presents a novel approach for precise and accurate estimations of power functions of four popular discordancy tests and, therefore, should not be considered as a simple simulation exercise unrelated to probability and statistics. From both criteria of the Power of Test proposed by Hayes and Kinsella and the Test Performance Criterion of Barnett and Lewis, Dixon test N8 performs less well than the other three tests. The overall performance of these four tests could be summarized as N2≅N15>N14>N8.
International Nuclear Information System (INIS)
Andrushevskii, N.M.; Shchedrin, B.M.; Simonov, V.I.
2004-01-01
New algorithms for solving the atomic structure of equivalent nanodimensional clusters of the same orientations randomly distributed over the initial single crystal (crystal matrix) have been suggested. A cluster is a compact group of substitutional, interstitial or other atoms displaced from their positions in the crystal matrix. The structure is solved based on X-ray or neutron diffuse scattering data obtained from such objects. The use of the mathematical apparatus of Fourier transformations of finite functions showed that the appropriate sampling of the intensities of continuous diffuse scattering allows one to synthesize multiperiodic difference Patterson functions that reveal the systems of the interatomic vectors of an individual cluster. The suggested algorithms are tested on a model one-dimensional structure
Directory of Open Access Journals (Sweden)
S. Talebi
2018-04-01
Full Text Available This paper presents a theoretical study of derivation Microwave Vegetation Indices (MVIs in different pairs of frequencies using two methods. In the first method calculating MVI in different frequencies based on Matrix Doubling Model (to take in to account multi scattering effects has been done and analyzed in various soil properties. The second method was based on MVI theoretical basis and its independency to underlying soil surface signals. Comparing the results from two methods with vegetation properties (single scattering albedo and optical depth indicated partial correlation between MVI from first method and optical depth, and full correlation between MVI from second method and vegetation properties. The second method to derive MVI can be used widely in global microwave vegetation monitoring.
Energy Technology Data Exchange (ETDEWEB)
Pietralla, N., E-mail: pietralla@ikp.tu-darmstadt.d [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Nuclear Structure Laboratory, SUNY at Stony Brook, Stony Brook, NY 11794-3800 (United States); Institut fuer Kernphysik, Universitaet zu Koeln, 50937 Koeln (Germany); Li, T.C. [Nuclear Structure Laboratory, SUNY at Stony Brook, Stony Brook, NY 11794-3800 (United States); Fritzsche, M. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Ahmed, M.W. [Triangle Universities Nuclear Laboratory (TUNL), Duke University, Durham, NC 27708 (United States); Ahn, T.; Costin, A. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Nuclear Structure Laboratory, SUNY at Stony Brook, Stony Brook, NY 11794-3800 (United States); Institut fuer Kernphysik, Universitaet zu Koeln, 50937 Koeln (Germany); Enders, J. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Li, J. [Duke Free Electron Laser Laboratory (DFELL), Duke University, Durham, NC 27708 (United States); Mueller, S.; Neumann-Cosel, P. von [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Pinayev, I.V. [Duke Free Electron Laser Laboratory (DFELL), Duke University, Durham, NC 27708 (United States); Ponomarev, V.Yu.; Savran, D. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Tonchev, A.P.; Tornow, W.; Weller, H.R. [Triangle Universities Nuclear Laboratory (TUNL), Duke University, Durham, NC 27708 (United States); Werner, V. [A.W. Wright Nuclear Structure Laboratory (WNSL), Yale University, New Haven, CT (United States); Wu, Y.K. [Duke Free Electron Laser Laboratory (DFELL), Duke University, Durham, NC 27708 (United States); Zilges, A. [Institut fuer Kernphysik, Universitaet zu Koeln, 50937 Koeln (Germany)
2009-10-26
The Pb(gamma{sup -}>,gamma{sup '}) photon scattering reaction has been studied with the nearly monochromatic, linearly polarized photon beams at the High Intensity gamma-ray Source (HIgammaS) at the DFELL. Azimuthal scattering intensity asymmetries measured with respect to the polarization plane of the beam have been used for the first time to assign both the spin and parity quantum numbers of dipole excited states of {sup 206,207,208}Pb at excitation energies in the vicinity of 5.5 MeV. Evidence for dominant particle-core coupling is deduced from these results along with information on excitation energies and electromagnetic transition matrix elements. Implications of the existence of weakly coupled states built on highly excited core states in competition with 1homega single particle (hole) excitations at comparable energies are discussed.
An accurate behavioral model for single-photon avalanche diode statistical performance simulation
Xu, Yue; Zhao, Tingchen; Li, Ding
2018-01-01
An accurate behavioral model is presented to simulate important statistical performance of single-photon avalanche diodes (SPADs), such as dark count and after-pulsing noise. The derived simulation model takes into account all important generation mechanisms of the two kinds of noise. For the first time, thermal agitation, trap-assisted tunneling and band-to-band tunneling mechanisms are simultaneously incorporated in the simulation model to evaluate dark count behavior of SPADs fabricated in deep sub-micron CMOS technology. Meanwhile, a complete carrier trapping and de-trapping process is considered in afterpulsing model and a simple analytical expression is derived to estimate after-pulsing probability. In particular, the key model parameters of avalanche triggering probability and electric field dependence of excess bias voltage are extracted from Geiger-mode TCAD simulation and this behavioral simulation model doesn't include any empirical parameters. The developed SPAD model is implemented in Verilog-A behavioral hardware description language and successfully operated on commercial Cadence Spectre simulator, showing good universality and compatibility. The model simulation results are in a good accordance with the test data, validating high simulation accuracy.
Compton scatter tomography in TOF-PET
Hemmati, Hamidreza; Kamali-Asl, Alireza; Ay, Mohammadreza; Ghafarian, Pardis
2017-10-01
Scatter coincidences contain hidden information about the activity distribution on the positron emission tomography (PET) imaging system. However, in conventional reconstruction, the scattered data cause the blurring of images and thus are estimated and subtracted from detected coincidences. List mode format provides a new aspect to use time of flight (TOF) and energy information of each coincidence in the reconstruction process. In this study, a novel approach is proposed to reconstruct activity distribution using the scattered data in the PET system. For each single scattering coincidence, a scattering angle can be determined by the recorded energy of the detected photons, and then possible locations of scattering can be calculated based on the scattering angle. Geometry equations show that these sites lie on two arcs in 2D mode or the surface of a prolate spheroid in 3D mode, passing through the pair of detector elements. The proposed method uses a novel and flexible technique to estimate source origin locations from the possible scattering locations, using the TOF information. Evaluations were based on a Monte-Carlo simulation of uniform and non-uniform phantoms at different resolutions of time and detector energy. The results show that although the energy uncertainties deteriorate the image spatial resolution in the proposed method, the time resolution has more impact on image quality than the energy resolution. With progress of the TOF system, the reconstruction using the scattered data can be used in a complementary manner, or to improve image quality in the next generation of PET systems.
Liao, Jin; Brock, Charles A.; Murphy, Daniel M.; Sueper, Donna T.; Welti, André; Middlebrook, Ann M.
2017-10-01
A light-scattering module was coupled to an airborne, compact time-of-flight aerosol mass spectrometer (LS-AMS) to investigate collection efficiency (CE) while obtaining nonrefractory aerosol chemical composition measurements during the Southeast Nexus (SENEX) campaign. In this instrument, particles scatter light from an internal laser beam and trigger saving individual particle mass spectra. Nearly all of the single-particle data with mass spectra that were triggered by scattered light signals were from particles larger than ˜ 280 nm in vacuum aerodynamic diameter. Over 33 000 particles are characterized as either prompt (27 %), delayed (15 %), or null (58 %), according to the time and intensity of their total mass spectral signals. The particle mass from single-particle spectra is proportional to that derived from the light-scattering diameter (dva-LS) but not to that from the particle time-of-flight (PToF) diameter (dva-MS) from the time of the maximum mass spectral signal. The total mass spectral signal from delayed particles was about 80 % of that from prompt ones for the same dva-LS. Both field and laboratory data indicate that the relative intensities of various ions in the prompt spectra show more fragmentation compared to the delayed spectra. The particles with a delayed mass spectral signal likely bounced off the vaporizer and vaporized later on another surface within the confines of the ionization source. Because delayed particles are detected by the mass spectrometer later than expected from their dva-LS size, they can affect the interpretation of particle size (PToF) mass distributions, especially at larger sizes. The CE, measured by the average number or mass fractions of particles optically detected that had measurable mass spectra, varied significantly (0.2-0.9) in different air masses. The measured CE agreed well with a previous parameterization when CE > 0.5 for acidic particles but was sometimes lower than the minimum parameterized CE of 0.5.
Probing single magnon excitations in Sr2IrO4 using O K-edge resonant inelastic x-ray scattering
International Nuclear Information System (INIS)
Liu, X; Ding, H; Dean, M P M; Yin, W G; Hill, J P; Liu, J; Ramesh, R; Chiuzbăian, S G; Jaouen, N; Nicolaou, A; Serrao, C Rayan
2015-01-01
Resonant inelastic x-ray scattering (RIXS) at the L-edge of transition metal elements is now commonly used to probe single magnon excitations. Here we show that single magnon excitations can also be measured with RIXS at the K-edge of the surrounding ligand atoms when the center heavy metal elements have strong spin–orbit coupling. This is demonstrated with oxygen K-edge RIXS experiments on the perovskite Sr 2 IrO 4 , where low energy peaks from single magnon excitations were observed. This new application of RIXS has excellent potential to be applied to a wide range of magnetic systems based on heavy elements, for which the L-edge RIXS energy resolution in the hard x-ray region is usually poor. (fast track communication)
International Nuclear Information System (INIS)
Margetan, F.J.; Haldipur, Pranaam; Yu Linxiao; Thompson, R.B.
2005-01-01
For pulse/echo inspections of metals, models which predict backscattered noise characteristics often make a 'single-scattering' assumption, i.e., multiple-scattering events in which sound is scattered from one grain to another before returning to the transducer are ignored. Models based on the single-scattering assumption have proven to be very useful in simulating inspections of engine-alloy billets and forgings. However, this assumption may not be accurate if grain scattering is too 'strong' (e.g., if the mean grain diameter and/or the inspection frequency is too large). In this work, backscattered grain noise measurements and analyses were undertaken to search for evidence of significant multiple scattering in pulse/echo inspections of jet-engine Nickel alloys. At or above about 7 MHz frequency and 50 micron grain diameter, problems were seen with single-scattering noise models that are likely due to the neglect of multiple scattering by the models. The modeling errors were less severe for focused-probe measurements in the focal zone than for planar probe inspections. Single-scattering noise models are likely adequate for simulating current billet inspections which are carried out using 5-MHz focused transducers. However, multiple scattering effects should be taken into account in some fashion when simulating higher-frequency inspections of Nickel-alloy billets having large mean grain diameters (> 40 microns)
Directory of Open Access Journals (Sweden)
Xuewei Yan
2018-02-01
Full Text Available Liquid metal cooling (LMC process as a powerful directional solidification (DS technique is prospectively used to manufacture single crystal (SC turbine blades. An understanding of the temperature distribution and microstructure evolution in LMC process is required in order to improve the properties of the blades. For this reason, a multi-scale model coupling with the temperature field, grain growth and solute diffusion was established. The temperature distribution and mushy zone evolution of the hollow blade was simulated and discussed. According to the simulation results, the mushy zone might be convex and ahead of the ceramic beads at a lower withdrawal rate, while it will be concave and laggard at a higher withdrawal rate, and a uniform and horizontal mushy zone will be formed at a medium withdrawal rate. Grain growth of the blade at different withdrawal rates was also investigated. Single crystal structures were all selected out at three different withdrawal rates. Moreover, mis-orientation of the grains at 8 mm/min reached ~30°, while it was ~5° and ~15° at 10 mm/min and 12 mm/min, respectively. The model for predicting dendritic morphology was verified by corresponding experiment. Large scale for 2D dendritic distribution in the whole sections was investigated by experiment and simulation, and they presented a well agreement with each other. Keywords: Hollow blade, Single crystal, Multi-scale simulation, Liquid metal cooling
Monte-Carlo Simulation of Hydrogen Adsorption in Single-Wall Carbon Nano-Cones
Directory of Open Access Journals (Sweden)
Zohreh Ahadi
2011-01-01
Full Text Available The properties of hydrogen adsorption in single-walled carbon nano-cones are investigated in detail by Monte Carlo simulations. A great deal of our computational results show that the hydrogen storage capacity in single-walled carbon nano-cones is slightly smaller than the capacity of single-walled carbon nanotubes at any time at the same conditions. This indicates that the hydrogen storage capacity of single-walled carbon nano-cones is related to angles of carbon nano-cones. It seems that these type of nanotubes could not exceed the 2010 goal of 6 wt%, which is presented by the U.S. Department of Energy. In addition, these results are discussed in theory.
Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation
Saad, Ahmed Mohamed
2016-05-01
In this study, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell-centered finite difference method with a non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational time by MC simulations from hours to seconds. In addition, the reweighting and reconstruction scheme, which was originally designed to work with the LJ potential model, is extended to work with a potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical ensemble and the Gibbs ensemble, respectively. Comparing the simulation results with the experimental data showed that the implemented model has an excellent fit outperforming the standard LJ model. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and Darcy scale in reservoir simulators. This leads to an accurate description of the thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.
Energy Technology Data Exchange (ETDEWEB)
Klein, Stephen A.; McCoy, Renata B.; Morrison, Hugh; Ackerman, Andrew S.; Avramov, Alexander; de Boer, Gijs; Chen, Mingxuan; Cole, Jason N.S.; Del Genio, Anthony D.; Falk, Michael; Foster, Michael J.; Fridlind, Ann; Golaz, Jean-Christophe; Hashino, Tempei; Harrington, Jerry Y.; Hoose, Corinna; Khairoutdinov, Marat F.; Larson, Vincent E.; Liu, Xiaohong; Luo, Yali; McFarquhar, Greg M.; Menon, Surabi; Neggers, Roel A. J.; Park, Sungsu; Poellot, Michael R.; Schmidt, Jerome M.; Sednev, Igor; Shipway, Ben J.; Shupe, Matthew D.; Spangenberg, Douglas A.; Sud, Yogesh C.; Turner, David D.; Veron, Dana E.; von Salzen, Knut; Walker, Gregory K.; Wang, Zhien; Wolf, Audrey B.; Xie, Shaocheng; Xu, Kuan-Man; Yang, Fanglin; Zhang, Gong
2009-02-02
Results are presented from an intercomparison of single-column and cloud-resolving model simulations of a cold-air outbreak mixed-phase stratocumulus cloud observed during the Atmospheric Radiation Measurement (ARM) program's Mixed-Phase Arctic Cloud Experiment. The observed cloud occurred in a well-mixed boundary layer with a cloud top temperature of -15 C. The observed average liquid water path of around 160 g m{sup -2} was about two-thirds of the adiabatic value and much greater than the average mass of ice crystal precipitation which when integrated from the surface to cloud top was around 15 g m{sup -2}. The simulations were performed by seventeen single-column models (SCMs) and nine cloud-resolving models (CRMs). While the simulated ice water path is generally consistent with the observed values, the median SCM and CRM liquid water path is a factor of three smaller than observed. Results from a sensitivity study in which models removed ice microphysics suggest that in many models the interaction between liquid and ice-phase microphysics is responsible for the large model underestimate of liquid water path. Despite this general underestimate, the simulated liquid and ice water paths of several models are consistent with the observed values. Furthermore, there is evidence that models with more sophisticated microphysics simulate liquid and ice water paths that are in better agreement with the observed values, although considerable scatter is also present. Although no single factor guarantees a good simulation, these results emphasize the need for improvement in the model representation of mixed-phase microphysics.
International Nuclear Information System (INIS)
Franzreb, Klaus; Williams, Peter; Loerincik, Jan; Sroubek, Zdenek
2003-01-01
Mass-resolved (and emission-charge-state-resolved) low-energy ion back-scattering during dynamic O 2 + bombardment of a silicon surface was applied in a Cameca IMS-3f secondary ion mass spectrometry (SIMS) instrument to determine the bombarding energy dependence of the ratio of back-scattered O 2+ versus O + . While the ratio of O 2+ versus O + drops significantly at reduced bombarding energies, O 2+ back-scattered from silicon was still detectable at an impact energy (in the lab frame) as low as about 1.6 keV per oxygen atom. Assuming neutralization prior to impact, O 2+ ion formation in an asymmetric 16 O→ 28 Si collision is expected to take place via 'collisional double ionization' (i.e. by promotion of two outer O 2p electrons) rather than by the production of an inner-shell (O 2s or O 1s) core hole followed by Auger-type de-excitation during or after ejection. A molecular orbital (MO) correlation diagram calculated for a binary 'head-on' O-Si collision supports this interpretation
Molecular dynamics simulation of AFM studies of a single polymer chain
International Nuclear Information System (INIS)
Wang Wenhai; Kistler, Kurt A.; Sadeghipour, Keya; Baran, George
2008-01-01
Single polymer chain force-extension behavior measured by Atomic Force Microscopy (AFM) was interpreted by molecular dynamics (MD) simulation performed by applying a bead-spring (coarse-graining) model in which the bond potential function between adjacent beads is described by a worm-like chain (WLC) model. Simulation results indicate that caution should be applied when interpreting experimental AFM data, because the data vary depending on the point of AFM tip-polymer chain attachment. This approach offers an effective way for eventual analysis of the mechanical behavior of complex polymer networks
Molecular dynamics simulation of AFM studies of a single polymer chain
Energy Technology Data Exchange (ETDEWEB)
Wang Wenhai [Center for Bioengineering and Biomaterials, College of Engineering, Temple University, 1947 N. 12th Street, Philadelphia, PA 19122 (United States); Kistler, Kurt A. [Department of Chemistry, Temple University, 1901 N. 13th Street, Philadelphia, PA 19122 (United States); Sadeghipour, Keya [Center for Bioengineering and Biomaterials, College of Engineering, Temple University, 1947 N. 12th Street, Philadelphia, PA 19122 (United States); Baran, George [Center for Bioengineering and Biomaterials, College of Engineering, Temple University, 1947 N. 12th Street, Philadelphia, PA 19122 (United States)], E-mail: grbaran@temple.edu
2008-11-24
Single polymer chain force-extension behavior measured by Atomic Force Microscopy (AFM) was interpreted by molecular dynamics (MD) simulation performed by applying a bead-spring (coarse-graining) model in which the bond potential function between adjacent beads is described by a worm-like chain (WLC) model. Simulation results indicate that caution should be applied when interpreting experimental AFM data, because the data vary depending on the point of AFM tip-polymer chain attachment. This approach offers an effective way for eventual analysis of the mechanical behavior of complex polymer networks.
Simulation of single spin asymmetry in the p↑p→π±,0X reaction
International Nuclear Information System (INIS)
Musul'manbekov, Zh.Zh.; Tokarev, M.V.
1995-01-01
Using hadronic event generator based on the Bremsstrahlung approach on hadron level, the left-right asymmetry of inclusive pions in single spin proton-proton collisions was simulated. The x F - and p T -dependencies of asymmetry for the p↑p→π ±,0 X process at E Lab =13, 18, 40 and 200 GeV have been obtained. An analysis of simulated events has been performed and it has been found that Δ-resonances play an important role in the behaviour of pion asymmetry. Some predictions for pion asymmetry are given for high x F and p T region. 14 refs., 5 figs., 2 tabs
Simulation of a Novel Single-column Cryogenic Air Separation Process Using LNG Cold Energy
Jieyu, Zheng; Yanzhong, Li; Guangpeng, Li; Biao, Si
In this paper, a novel single-column air separation process is proposed with the implementation of heat pump technique and introduction of LNG coldenergy. The proposed process is verifiedand optimized through simulation on the Aspen Hysys® platform. Simulation results reveal that thepower consumption per unit mass of liquid productis around 0.218 kWh/kg, and the total exergy efficiency of the systemis 0.575. According to the latest literatures, an energy saving of 39.1% is achieved compared with those using conventional double-column air separation units.The introduction of LNG cold energy is an effective way to increase the system efficiency.
DEFF Research Database (Denmark)
Hejlesen, Mads Mølholm; Spietz, Henrik J.; Walther, Jens Honore
2014-01-01
, unbounded particle-mesh based vortex method is used to simulate the instability, transition to turbulence and eventual destruction of a single vortex ring. From the simulation data a novel method on analyzing the dynamics of the enstrophy is presented based on the alignment of the vorticity vector...... with the principal axis of the strain rate tensor. We find that the dynamics of the enstrophy density is dominated by the local flow deformation and axis of rotation, which is used to infer some concrete tendencies related to the topology of the vorticity field....
International Nuclear Information System (INIS)
Xu Chang; Li Baoan
2010-01-01
Taking into account more accurately the isospin dependence of nucleon-nucleon interactions in the in-medium many-body force term of the Gogny effective interaction, new expressions for the single-nucleon potential and the symmetry energy are derived. Effects of both the spin (isospin) and the density dependence of nuclear effective interactions on the symmetry potential and the symmetry energy are examined. It is shown that they both play a crucial role in determining the symmetry potential and the symmetry energy at suprasaturation densities. The improved single-nucleon potential will be useful for more accurate simulation of nuclear reactions induced by rare-isotope beams within transport models.
International Nuclear Information System (INIS)
Liljequist, D.
1978-01-01
Simplified models, based on stopping power, transport mean free path and classical straggling, are shown to give results in rather good agreement with experiment and comparable with the results of more detailed, direct Monte Carlo procedure hitherto constructed. The small effects of features such as large-angle scattering and the interaction between straggling and scattering are studied. A description based on the near linearity of the transport mean free path is used to obtain empirical corrections in some cases of the total transmission and back-scattering simulation and empirical estimates of the (Bethe) range and the transport mean free path. The estimates of the range are consistent with a rough calculation of the effect of large binding energies. (author)