DEFF Research Database (Denmark)
Kazantsev, I.G.; Olsen, Ulrik Lund; Poulsen, Henning Friis
2018-01-01
scatter is interpreted as the volume integral over scatter points that constitute a rotation body with a football shape, while single scattering with a certain angle is evaluated as the surface integral over the boundary of the rotation body. The equations for total and sample single scatter calculations...... are derived using a single scatter simulation approximation. We show that the three-dimensional slice-by-slice filtered backprojection algorithm is applicable for scatter data inversion provided that the attenuation map is assumed to be constant. The results of the numerical experiments are presented....
Kazantsev, I. G.; Olsen, U. L.; Poulsen, H. F.; Hansen, P. C.
2018-02-01
We investigate the idealized mathematical model of single scatter in PET for a detector system possessing excellent energy resolution. The model has the form of integral transforms estimating the distribution of photons undergoing a single Compton scattering with a certain angle. The total single scatter is interpreted as the volume integral over scatter points that constitute a rotation body with a football shape, while single scattering with a certain angle is evaluated as the surface integral over the boundary of the rotation body. The equations for total and sample single scatter calculations are derived using a single scatter simulation approximation. We show that the three-dimensional slice-by-slice filtered backprojection algorithm is applicable for scatter data inversion provided that the attenuation map is assumed to be constant. The results of the numerical experiments are presented.
Numerical Simulations of Single and Multiple Scattering by Fractal Ice Clusters
Dlugach, Janna M.; Mishchenko, Michael I.; Mackowski, Daniel W.
2011-01-01
We consider the scattering model in the form of a vertically and horizontally homogeneous particulate slab of an arbitrary optical thickness composed of widely separated fractal aggregates built of small spherical ice monomers. The aggregates are generated by applying three different approaches, including simulated cluster-cluster aggregation (CCA) and diffusion-limited aggregation (DLA) procedures. Having in mind radar remote-sensing applications, we report and analyze the results of computations of the backscattering circular polarization ratio obtained using efficient superposition T-matrix and vector radiative-transfer codes. The computations have been performed at a wavelength of 12.6 cm for fractal aggregates with the following characteristics: monomer refractive index m=1.78+i0.003, monomer radius r=1 cm, monomer packing density p=0.2, overall aggregate radii R in the range 4fractal dimensions D(sub f) 2.5 and 3. We show that for aggregates generated with simulated CCA and DLA procedures, the respective values of the backscattering circular polarization ratio differ weakly for D(sub f) 2.5, but the differences can increase somewhat for D(sub f)3, especially in case of an optically semi-infinite medium. For aggregates with a spheroidal overall shape, the dependence of the circular polarization ratio on the cluster morphology can be quite significant and increases with increasing the aspect ratio of the circumscribing spheroid.
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.
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 scattering properties of hydrosols
Mukherjee, L.; Zhai, P.; Hu, Y.
2017-12-01
The single scattering or inherent optical properties (IOPs) of hydrosols play an important role in the complete study of ocean optics, ocean color remote sensing, and ocean biogeochemistry research. Measurements show that hydrosols can be of various sizes and shapes, which suggests that general non-spherical models should be considered for the study of IOPs of hydrosols. In this work, the IOPs of randomly oriented non-spherical hydrosols of both absorbing and non-absorbing types are modeled using the Amsterdam Discrete Dipole Approximation (ADDA). We have defined the degree of optical non-sphericity (DONS) and investigated the dependence of DONS on refractive indices, sizes, and aspect ratios. For particles with non-unit aspect ratios, the magnitude of DONS increases with an increase of refractive index and aspect ratio. In general, the value of DONS increases with increase in particle size. The variation of DONS with respect to refractive indices and aspect ratios of the hydrosols makes it an important parameter in the study of ocean optics. Dependence of backscattering fraction on non-sphericity, size, and aspect ratio of the hydrosols is also demonstrated. The modeling of single scattering properties of hydrosols with different microphysical parameters would help to interpret the ocean radiation field measured by in situ or remote sensing sensors. Understanding the IOPs of hydrosols would lead to better radiative transfer models in ocean waters and new remote sensing technologies of hydrosol compositions.
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.
Mie scatter corrections in single cell infrared microspectroscopy.
Konevskikh, Tatiana; Lukacs, Rozalia; Blümel, Reinhold; Ponossov, Arkadi; Kohler, Achim
2016-06-23
Strong Mie scattering signatures hamper the chemical interpretation and multivariate analysis of the infrared microscopy spectra of single cells and tissues. During recent years, several numerical Mie scatter correction algorithms for the infrared spectroscopy of single cells have been published. In the paper at hand, we critically reviewed existing algorithms for the correction of Mie scattering and suggest improvements. We developed an iterative algorithm based on Extended Multiplicative Scatter Correction (EMSC), for the retrieval of pure absorbance spectra from highly distorted infrared spectra of single cells. The new algorithm uses the van de Hulst approximation formula for the extinction efficiency employing a complex refractive index. The iterative algorithm involves the establishment of an EMSC meta-model. While existing iterative algorithms for the correction of resonant Mie scattering employ three independent parameters for establishing a meta-model, we could decrease the number of parameters from three to two independent parameters, which reduced the calculation time for the Mie scattering curves for the iterative EMSC meta-model by a factor of 10. Moreover, by employing the Hilbert transform for evaluating the Kramers-Kronig relations based on a FFT algorithm in Matlab, we further improved the speed of the algorithm by a factor of 100. For testing the algorithm we simulate distorted apparent absorbance spectra by utilizing the exact theory for the scattering of infrared light at absorbing spheres, taking into account the high numerical aperture of infrared microscopes employed for the analysis of single cells and tissues. In addition, the algorithm was applied to measured absorbance spectra of single lung cancer cells.
Geant4 models for simulation of multiple scattering
Ivanchenko, V N; Maire, M; Urban, L
2010-01-01
Recent progress in development of single and multiple scattering models within the Geant4 toolkit is presented. Different options available to users are discussed. The comparisons with the data are shown. The trade of precision versus CPU performance is discussed with the focus on LHC detectors simulation
Transient Rayleigh scattering from single semiconductor nanowires
Energy Technology Data Exchange (ETDEWEB)
Montazeri, Mohammad; Jackson, Howard E.; Smith, Leigh M. [Department of Physics, University of Cincinnati, Cincinnati, OH 45221-0011 (United States); Yarrison-Rice, Jan M. [Department of Physics, Miami University, Oxford, OH 45056 (United States); Kang, Jung-Hyun; Gao, Qiang; Tan, Hark Hoe; Jagadish, Chennupati [Department of Electronic Materials Engineering, Research School of Physics and Engineering, The Australian National University, Canberra, ACT 0200 (Australia)
2013-12-04
Transient Rayleigh scattering spectroscopy is a new pump-probe technique to study the dynamics and cooling of photo-excited carriers in single semiconductor nanowires. By studying the evolution of the transient Rayleigh spectrum in time after excitation, one can measure the time evolution of the density and temperature of photo-excited electron-hole plasma (EHP) as they equilibrate with lattice. This provides detailed information of dynamics and cooling of carriers including linear and bimolecular recombination properties, carrier transport characteristics, and the energy-loss rate of hot electron-hole plasma through the emission of LO and acoustic phonons.
Single Scattering Detection in Turbin Media Using Single-Phase Structured Illumination Filtering
Berrocal, E.; Johnsson, J.; Kristensson, E.; Alden, M.
2012-05-01
This work shows a unique possibility of visualizing the exponential intensity decay due to light extinction, when laser adiation propagates through a homogeneous scattering edium. This observation implies that the extracted intensity mostly riginates from single scattering events. The filtering of this single light scattering intensity is performed by means of a single-phase structured illumination filtering approach. Results from numerical Monte Carlo simulation confirm the experimental findings for an extinction coefficient of μ_e = 0.36 mm^-1. This article demonstrates an original and reliable way of measuring the extinction coefficient of particulate turbid media based on sidescattering imaging. Such an approach has capabilities to replace the commonly used transmission measurement within the intermediate single-to multiple scattering regime where the optical depth ranges between 1 procedure and set-up. Applications of the technique has potential in probing challenging homogeneous scattering media, such as biomedical tissues, turbid emulsions, etc, in situations where dilution cannot be applied and where conventional transmission measurements fail.
Sieron, Scott B.; Clothiaux, Eugene E.; Zhang, Fuqing; Lu, Yinghui; Otkin, Jason A.
2017-07-01
The Community Radiative Transfer Model (CRTM) presently uses one look-up table (LUT) of cloud and precipitation single-scattering properties at microwave frequencies, with which any particle size distribution may interface via effective radius. This may produce scattering properties insufficiently representative of the model output if the microphysics parameterization scheme particle size distribution mismatches that assumed in constructing the LUT, such as one being exponential and the other monodisperse, or assuming different particle bulk densities. The CRTM also assigns a 5 μm effective radius to all nonprecipitating clouds, an additional inconsistency. Brightness temperatures are calculated from 3 h convection-permitting simulations of Hurricane Karl (2010) by the Weather Research and Forecasting model; each simulation uses one of three different microphysics schemes. For each microphysics scheme, a consistent cloud scattering LUT is constructed; the use of these LUTs produces differences in brightness temperature fields that would be better for analyzing and constraining microphysics schemes than using the CRTM LUT as-released. Other LUTs are constructed which contain one of the known microphysics inconsistencies with the CRTM LUT as-released, such as the bulk density of graupel, but are otherwise microphysics-consistent; differences in brightness temperature to using an entirely microphysics-consistent LUT further indicate the significance of that inconsistency. The CRTM LUT as-released produces higher brightness temperature than using microphysics-consistent LUTs. None of the LUTs can produce brightness temperatures that can match well to observations at all frequencies, which is likely due in part to the use of spherical particle scattering.
Simulation of cyclotron resonant scattering features
Directory of Open Access Journals (Sweden)
Schwarm Fritz-Walter
2014-01-01
Full Text Available X-ray binary systems consisting of a mass donating optical star and a highly magnetized neutron star, under the right circumstances, show quantum mechanical absorption features in the observed spectra called cyclotron resonant scattering features (CRSFs. We have developed a simulation to model CRSFs using Monte Carlo methods. We calculate Green’s tables which can be used to imprint CRSFs to arbitrary X-ray continua. Our simulation keeps track of scattering parameters of individual photons, extends the number of variable parameters of previous works, and allows for more flexible geometries. Here we focus on the influence of bulk velocity of the accreted matter on the CRSF line shapes and positions.
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)
Expressive Single Scattering for Light Shaft Stylization
Kol, T.R.; Klehm, O.; Seidel, Hans-Peter; Eisemann, E.
2017-01-01
Light scattering in participating media is a natural phenomenon that is increasingly featured in movies and games, as it is visually pleasing and lends realism to a scene. In art, it may further be used to express a certain mood or emphasize objects. Here, artists often rely on stylization when
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)
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)
Single and Multiple Scattering in UWB Bicone Arrays
Directory of Open Access Journals (Sweden)
Raffaele D'Errico
2008-01-01
Full Text Available An analysis of interactions between radiators in a UWB biconical array, drawing attention to single and multiple scatterings, is carried out. The complementarity between electrical coupling and radiation scattering is argued. The point source approximation is discussed and shown to be insufficient. An approximation of radiation scattering based on angular averaging of the scattering coefficient is proposed. This approach yields a reduction of the problem complexity, which is especially interesting in UWB multiple antenna systems, because of the large bandwidth. Multiple scattering between radiators is shown to be a second-order effect. Finally, a time domain approach is used in order to investigate pulse distortion and quantify the exactness of the proposed scattering model.
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.
Integrated Raman and angular scattering of single biological cells
Smith, Zachary J.
2009-12-01
Raman, or inelastic, scattering and angle-resolved elastic scattering are two optical processes that have found wide use in the study of biological systems. Raman scattering quantitatively reports on the chemical composition of a sample by probing molecular vibrations, while elastic scattering reports on the morphology of a sample by detecting structure-induced coherent interference between incident and scattered light. We present the construction of a multimodal microscope platform capable of gathering both elastically and inelastically scattered light from a 38 mum2 region in both epi- and trans-illumination geometries. Simultaneous monitoring of elastic and inelastic scattering from a microscopic region allows noninvasive characterization of a living sample without the need for exogenous dyes or labels. A sample is illuminated either from above or below with a focused 785 nm TEM00 mode laser beam, with elastic and inelastic scattering collected by two separate measurement arms. The measurements may be made either simultaneously, if identical illumination geometries are used, or sequentially, if the two modalities utilize opposing illumination paths. In the inelastic arm, Stokes-shifted light is dispersed by a spectrograph onto a CCD array. In the elastic scattering collection arm, a relay system images the microscope's back aperture onto a CCD detector array to yield an angle-resolved elastic scattering pattern. Post-processing of the inelastic scattering to remove fluorescence signals yields high quality Raman spectra that report on the sample's chemical makeup. Comparison of the elastically scattered pupil images to generalized Lorenz-Mie theory yields estimated size distributions of scatterers within the sample. In this thesis we will present validations of the IRAM instrument through measurements performed on single beads of a few microns in size, as well as on ensembles of sub-micron particles of known size distributions. The benefits and drawbacks of the
Scattering from objects and surfaces in room acoustical simulations
DEFF Research Database (Denmark)
Marbjerg, Gerd Høy; Brunskog, Jonas; Jeong, Cheol-Ho
2016-01-01
In room acoustical simulations, scattering objects are often modeled as impenetrable boxes with high scattering coefficients assigned to the surfaces. In some cases, a cluster of objects is modeled as a virtual impenetrable box, such that no sound propagation can take place between the objects....... Thus, the scattering only takes place on the boundary surfaces of the box and the acoustic volume of the room is reduced. Another challenge with representing scattering objects by reflecting surfaces is that it increases the number of surfaces, which greatly increases the calculation complexity...... for methods such as the image source method. In this paper a modeling method where the scattering from objects takes place in certain parts of the room volume is proposed. In this method, sound can still travel through scattering objects, but be partly scattered. This volume scattering method has at present...
Single crystal surface structure by bragg scattering
DEFF Research Database (Denmark)
Nielsen, Mogens
1985-01-01
X-ray diffraction is becoming an important tool in the measurements of surface structures. Single crystalline samples are used as in Low Energy Electron Diffraction (LEED)-studies. The X-ray technique is somewhat more involved due to the need of bright, collimated photon sources, in general...
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
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...
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...
An Experimental Scattering Matrix for Lunar Regolith Simulant JSC-1A at Visible Wavelengths
Escobar-Cerezo, J.; Muñoz, O.; Moreno, F.; Guirado, D.; Gómez Martín, J. C.; Goguen, J. D.; Garboczi, E. J.; Chiaramonti, A. N.; Lafarge, T.; West, R. A.
2018-03-01
We present the experimental scattering matrix as a function of the scattering angle of the lunar soil simulant JSC-1A. The measurements were performed at 488, 520, and 647 nm, covering the range of scattering angles from 3^\\circ to 177^\\circ . The effect of sub-micron-sized particles on the measured phase function and degree of linear polarization has been studied. After removing particles smaller than a 1 μm radius, the forward-scattering peak becomes steeper. Furthermore, the maximum of the degree of linear polarization increases, moving toward smaller scattering angles. Interestingly, the negative branch in the backward direction disappears as the small particles are removed from the sample. Because multiple scattering calculations with polarization included require single scattering matrices throughout the scattering range (from 0^\\circ to 180^\\circ ), we computed the corresponding synthetic scattering matrix through an extrapolation method, considering theoretical boundary conditions. From the extrapolated results, the asymmetry parameter g and the back-scattering linear depolarization factor {δ }L were computed.
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
SU-E-T-25: Real Time Simulator for Designing Electron Dual Scattering Foil Systems.
Carver, R; Hogstrom, K; Price, M; Leblanc, J; Harris, G
2012-06-01
To create a user friendly, accurate, real time computer simulator to facilitate the design of dual foil scattering systems for electron beams on radiotherapy accelerators. The simulator should allow for a relatively quick, initial design that can be refined and verified with subsequent Monte Carlo (MC) calculations and measurements. The simulator consists of an analytical algorithm for calculating electron fluence and a graphical user interface (GUI) C++ program. The algorithm predicts electron fluence using Fermi-Eyges multiple Coulomb scattering theory with a refined Moliere formalism for scattering powers. The simulator also estimates central-axis x-ray dose contamination from the dual foil system. Once the geometry of the beamline is specified, the simulator allows the user to continuously vary primary scattering foil material and thickness, secondary scattering foil material and Gaussian shape (thickness and sigma), and beam energy. The beam profile and x-ray contamination are displayed in real time. The simulator was tuned by comparison of off-axis electron fluence profiles with those calculated using EGSnrc MC. Over the energy range 7-20 MeV and using present foils on the Elekta radiotherapy accelerator, the simulator profiles agreed to within 2% of MC profiles from within 20 cm of the central axis. The x-ray contamination predictions matched measured data to within 0.6%. The calculation time was approximately 100 ms using a single processor, which allows for real-time variation of foil parameters using sliding bars. A real time dual scattering foil system simulator has been developed. The tool has been useful in a project to redesign an electron dual scattering foil system for one of our radiotherapy accelerators. The simulator has also been useful as an instructional tool for our medical physics graduate students. © 2012 American Association of Physicists in Medicine.
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.
International Nuclear Information System (INIS)
Vu, H.X.; Yin, L.; DuBois, D.F.; Bezzerides, B.; Dodd, E.S.
2005-01-01
Simulations are reported of the Thomson scatter spectrum of electrostatic waves (ESWs) excited in single laser hot spots by backward stimulated Raman scattering (BSRS). Under conditions similar those in the recent experiments of Kline et al. [Phys. Rev. Lett. 94, 175003 (2005)], a spectral streak, resulting from the trapping-induced frequency shift of the ESW, is found for high wave-number ESWs, similar to the observations. This shift and parametric frequency matching lead to isolated BSRS pulses. Modes with acoustic dispersion, resulting from the trapping-modified electron velocity distribution, can enhance the frequency range of the streak
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.
Strong paramagnon scattering in single atom Pd contacts
DEFF Research Database (Denmark)
Schendel, V.; Barreteau, Cyrille; Brandbyge, Mads
2017-01-01
Among all transition metals, palladium (Pd) has the highest density of states at the Fermi energy at low temperatures yet does not fulfill the Stoner criterion for ferromagnetism. However, close proximity to magnetism renders it a nearly ferromagnetic metal, which hosts paramagnons, strongly damp...... adatoms locally induce magnetic order, and transport through single cobalt atoms remains unaffected by paramagnon scattering, consistent with theory....... spin fluctuations. Here we compare the total and the differential conductance of monoatomic contacts consisting of single Pd and cobalt (Co) atoms between Pd electrodes. Transport measurements reveal a conductance for Co of 1G(0), while for Pd we obtain 2G(0). The differential conductance of monoatomic...
Shower approach in the simulation of ion scattering from solids.
Khodyrev, V A; Andrzejewski, R; Rivera, A; Boerma, D O; Prieto, J E
2011-05-01
An efficient approach for the simulation of ion scattering from solids is proposed. For every encountered atom, we take multiple samples of its thermal displacements among those which result in scattering with high probability to finally reach the detector. As a result, the detector is illuminated by intensive "showers," where each event of detection must be weighted according to the actual probability of the atom displacement. The computational cost of such simulation is orders of magnitude lower than in the direct approach, and a comprehensive analysis of multiple and plural scattering effects becomes possible. We use this method for two purposes. First, the accuracy of the approximate approaches, developed mainly for ion-beam structural analysis, is verified. Second, the possibility to reproduce a wide class of experimental conditions is used to analyze some basic features of ion-solid collisions: the role of double violent collisions in low-energy ion scattering; the origin of the "surface peak" in scattering from amorphous samples; the low-energy tail in the energy spectra of scattered medium-energy ions due to plural scattering; and the degradation of blocking patterns in two-dimensional angular distributions with increasing depth of scattering. As an example of simulation for ions of MeV energies, we verify the time reversibility for channeling and blocking of 1-MeV protons in a W crystal. The possibilities of analysis that our approach offers may be very useful for various applications, in particular, for structural analysis with atomic resolution. © 2011 American Physical Society
Small-angle neutron-scattering studies on oriented single-crystal superalloys
Gilles, R.; Mukherji, D.; Strunz, P.; Wiedenmann, A.; Wahi, R. P.
A single-crystal nickel-base superalloy SC16, recently developed for blade applications in land-based gas turbines, was investigated using the SANS instrument (V4) at the BERII reactor in HMI Berlin. The two-dimensional scattering patterns were measured as a function of the crystallographic orientation and analysed by comparing with iso-intensity profiles simulated on the base of a microstructural model of the SC16. Sizes, interparticle distances, volume fraction and morphology of precipitates were determined. Depending on the heat treatment conditions different scattering patterns were observed corresponding to different morphologies of γ‧ precipitates. Additionally some samples showed streaks in the two-dimensional scattering patterns, indicating the presence of precipitates other than γ‧. This was also confirmed by TEM, SEM and X-ray diffraction studies.
Monte Carlo simulations of a novel coherent scatter materials discrimination system
Hassan, Laila; Starr-Baier, Sean; MacDonald, C. A.; Petruccelli, Jonathan C.
2017-05-01
X-ray coherent scatter imaging has the potential to improve the detection of liquid and powder materials of concern in security screening. While x-ray attenuation is dependent on atomic number, coherent scatter is highly dependent on the characteristic angle for the target material, and thus offers an additional discrimination. Conventional coherent scatter analysis requires pixel-by-pixel scanning, and so could be prohibitively slow for security applications. A novel slot scan system has been developed to provide rapid imaging of the coherent scatter at selected angles of interest, simultaneously with the conventional absorption images. Prior experimental results showed promising capability. In this work, Monte Carlo simulations were performed to assess discrimination capability and provide system optimization. Simulation analysis performed using the measured ring profiles for an array of powders and liquids, including water, ethanol and peroxide. For example, simulations yielded a signal-to-background ratio of 1.63+/-0.08 for a sample consisting of two 10 mm diameter vials, one containing ethanol (signal) and one water (background). This high SBR value is due to the high angular separation of the coherent scatter between the two liquids. The results indicate that the addition of coherent scatter information to single or dual energy attenuation images improves the discrimination of materials of interest.
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.
Simulation of a complete inelastic neutron scattering experiment
Edwards, H; Nielsen, K; Skaarup, P; Lake, B
2002-01-01
A simulation of an inelastic neutron scattering experiment on the high-temperature superconductor La sub 2 sub - sub x Sr sub x CuO sub 4 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. (orig.)
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.
Determining Complex Structures using Docking Method with Single Particle Scattering Data.
Wang, Hongxiao; Liu, Haiguang
2017-01-01
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.
Primary and scattered component analyses of simulated images with MCNPX
International Nuclear Information System (INIS)
Souza, Edmilson M. de; Correa, Samanda C.A.; Silva, Ademir X. da; Lopes, Ricardo T.
2007-01-01
MCNPX radiography tallies are an array of point detectors (tally F5) close to one another to generate an image based on the point detector fluxes. The goal of this work is to study the primary and scattered radiation behavior in simulated images with MCNPX radiography tally. Monte Carlo simulations were performed for calculations of the PSF for different materials, thickness and distances between sample and detector. PSF analyses of simulated images showed that the radiography tallies to reproduce with perfection geometric and physical characteristics of experimental images. (author)
DEFF Research Database (Denmark)
Busi, Matteo; Olsen, Ulrik L.; Knudsen, Erik B.
2018-01-01
-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...
The use of multichannel collimation in small-angle neutron scattering a computer-simulation study
Falcao, A N; Carvalho, F G
2002-01-01
A Monte Carlo computer simulation was performed to evaluate the use of converging multichannel collimation in a small-angle neutron-scattering arrangement, giving guidelines for the construction of a first prototype. The neutron-absorbing efficiency as well as the divergence of the incoming beam were taken as parameters. Results show that the use of converging multichannel collimation in a small-angle neutron-scattering instrument leads, for the same experimental resolution, to very high count-rate gains over the typical single-channel-collimator instrument. (orig.)
The use of multichannel collimation in small-angle neutron scattering: a computer-simulation study
International Nuclear Information System (INIS)
Falcao, A.N.; Margaca, F.M.A.; Carvalho, F.G.
2002-01-01
A Monte Carlo computer simulation was performed to evaluate the use of converging multichannel collimation in a small-angle neutron-scattering arrangement, giving guidelines for the construction of a first prototype. The neutron-absorbing efficiency as well as the divergence of the incoming beam were taken as parameters. Results show that the use of converging multichannel collimation in a small-angle neutron-scattering instrument leads, for the same experimental resolution, to very high count-rate gains over the typical single-channel-collimator instrument. (orig.)
Simulation of laser scattering by typical marine aerosol
Huo, Yi-wei; Wang, Biao; Li, Xian-tao
2017-10-01
Maritime environment own numerous models of the aerosols which are typically comprised of dust, water-soluble aerosol and sea salt aerosol. A Maritime environment aerosol model is developed in the simulation for laser beam from visible to near infrared. Mie theory is used to calculate optical parameters, such as scattering coefficient, Aledo and average asymmetry factor, for different models of aerosols of variable size with gamma distribution. The simulation results show that dust aerosol and water-soluble aerosol have the largest absorption coefficient. Aged Sea-salt aerosol and near-surface Sea-salt aerosol have the largest scattering coefficient. The model solving the optical properties of marine aerosol problem is capable of handling light detection and ranging.
Large-scale Nanostructure Simulations from X-ray Scattering Data On Graphics Processor Clusters
Energy Technology Data Exchange (ETDEWEB)
Sarje, Abhinav; Pien, Jack; Li, Xiaoye; Chan, Elaine; Chourou, Slim; Hexemer, Alexander; Scholz, Arthur; Kramer, Edward
2012-01-15
X-ray scattering is a valuable tool for measuring the structural properties of materialsused in the design and fabrication of energy-relevant nanodevices (e.g., photovoltaic, energy storage, battery, fuel, and carbon capture andsequestration devices) that are key to the reduction of carbon emissions. Although today's ultra-fast X-ray scattering detectors can provide tremendousinformation on the structural properties of materials, a primary challenge remains in the analyses of the resulting data. We are developing novelhigh-performance computing algorithms, codes, and software tools for the analyses of X-ray scattering data. In this paper we describe two such HPCalgorithm advances. Firstly, we have implemented a flexible and highly efficient Grazing Incidence Small Angle Scattering (GISAXS) simulation code based on theDistorted Wave Born Approximation (DWBA) theory with C++/CUDA/MPI on a cluster of GPUs. Our code can compute the scattered light intensity from any givensample in all directions of space; thus allowing full construction of the GISAXS pattern. Preliminary tests on a single GPU show speedups over 125x compared tothe sequential code, and almost linear speedup when executing across a GPU cluster with 42 nodes, resulting in an additional 40x speedup compared to usingone GPU node. Secondly, for the structural fitting problems in inverse modeling, we have implemented a Reverse Monte Carlo simulation algorithm with C++/CUDAusing one GPU. Since there are large numbers of parameters for fitting in the in X-ray scattering simulation model, the earlier single CPU code required weeks ofruntime. Deploying the AccelerEyes Jacket/Matlab wrapper to use GPU gave around 100x speedup over the pure CPU code. Our further C++/CUDA optimization deliveredan additional 9x speedup.
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 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
Maxeiner, Sascha; Suter, Martin; Christl, Marcus; Synal, Hans-Arno
2015-10-01
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.
Mukherjee, Lipi; Zhai, Peng-Wang; Hu, Yongxiang; Winker, David M
2017-05-10
Polarized radiation fields in a turbid medium are influenced by single-scattering properties of scatterers. It is common that media contain two or more types of scatterers, which makes it essential to properly mix single-scattering properties of different types of scatterers in the vector radiative transfer theory. The vector radiative transfer solvers can be divided into two basic categories: the stochastic and deterministic methods. The stochastic method is basically the Monte Carlo method, which can handle scatterers with different scattering properties explicitly. This mixture scheme is called the external mixture scheme in this paper. The deterministic methods, however, can only deal with a single set of scattering properties in the smallest discretized spatial volume. The single-scattering properties of different types of scatterers have to be averaged before they are input to deterministic solvers. This second scheme is called the internal mixture scheme. The equivalence of these two different mixture schemes of scattering properties has not been demonstrated so far. In this paper, polarized radiation fields for several scattering media are solved using the Monte Carlo and successive order of scattering (SOS) methods and scattering media contain two types of scatterers: Rayleigh scatterers (molecules) and Mie scatterers (aerosols). The Monte Carlo and SOS methods employ external and internal mixture schemes of scatterers, respectively. It is found that the percentage differences between radiances solved by these two methods with different mixture schemes are of the order of 0.1%. The differences of Q/I, U/I, and V/I are of the order of 10 -5 ∼10 -4 , where I, Q, U, and V are the Stokes parameters. Therefore, the equivalence between these two mixture schemes is confirmed to the accuracy level of the radiative transfer numerical benchmarks. This result provides important guidelines for many radiative transfer applications that involve the mixture of
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).
On Spectral Invariance of Single Scattering Albedo for Weakly Absorbing Wavelengths
Marshak, Alexander
2012-01-01
The single scattering albedo omega (sub 0 lambda) in atmospheric radiative transfer is the ratio of the scattering coefficient to the total extinction coefficient. For cloud water droplets both the scattering and absorption coefficients, thus the single scattering albedo, are functions of wavelength A and droplet size r. In this presentation we will show that for water droplets at weakly absorbing wavelengths, the ratio omega (sub 0 lambda)(r). The slope and intercept of the linear function are wavelength independent and sum to unity. This relationship allows for a representation of any single scattering albedo omega (sub 0 lambda) via one known spectrum omega (sub 0 lambda)(r(sub o)). We will provide a simple physical explanation of the discovered relationship. In addition to water droplets, similar linear relationships were found for the single scattering albedo of non-spherical ice crystals. The single scattering albedo $\\omega _ {0\\lambda }$ in atmospheric radiative transfer is the ratio of the scattering coefficient to the total extinction coefficient. For cloud water droplets both the scattering and absorption coefficients, and thus the single scattering albedo, are functions of wavelength $\\lambda $ and droplet size $r$. We show that for water droplets at weakly absorbing wavelengths, the ratio $\\omega _ {0\\lambda } (r)$/$\\omega _ {0\\lambda } (r_{0})$ of two single scattering albedo spectra for two different droplet sizes is a linear function of $\\omega _{0\\lambda }(r)$. The slope and intercept of the linear function are wavelength independent and sum to unity. This relationship allows for a representation of any single scattering albedo $\\omega_{0\\lambda }(r)$ via one known spectrum $\\omega_{0\\lambda }(r_{0})$. We provide a simple physical explanation of the discovered relationship. Similar linear relationships characterize the single scattering albedo of non-spherical ice crystals.
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.
Software for simulation and design of neutron scattering instrumentation
DEFF Research Database (Denmark)
Bertelsen, Mads
The experimental technique of Neutron Scattering is constantly evolving through advances in sources and instrumentation. The latest challenges and opportunities are posed by the European Spallation Source currently under construction in Lund, as both the source dimensions and time structure are far......Stas instrument file from limited user input. All optimized guides are thoroughly characterized allowing the user to select the most appropriate solution for a specific instrument. The software has been used extensively in connection with ESS, as several guides for instruments accepted for construction have been...... is simulated between all geometries, providing a rich simulation of background including spurious signals. The MARI (ISIS, UK) powder spectrometer and MACS (NIST, USA) triple axis spectrometer are simulated, and recent measurements are recreated demonstrating the increased fidelity obtainable....
A Study of Multiple Scattering in BGO and LYSO Single Crystal Scintillators
Directory of Open Access Journals (Sweden)
Kittipong Seingsanoh
2016-08-01
Full Text Available The angular distribution of multiple Compton scatterings from BGO and LYSO single crystal scintillators was studied at various scattering angles. Gamma photons with 662 keV energy, acquired from a 137Cs source, were used. The scattered photons were detected by a 51mm × 51mm NaI(Tl scintillation detector. The overall energy correlated to the total number of scattered incidents was analytically reconstructed. The research found that the multiply scattered incidents had the same energy as received from the singly scattered distribution, as the attribution of multiply scattered incidents near the 90° scattering angle revealed. The research results were in agreement with the theoretical calculations.
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
New electron multiple scattering distributions for Monte Carlo transport simulation
Energy Technology Data Exchange (ETDEWEB)
Chibani, Omar (Haut Commissariat a la Recherche (C.R.S.), 2 Boulevard Franz Fanon, Alger B.P. 1017, Alger-Gare (Algeria)); Patau, Jean Paul (Laboratoire de Biophysique et Biomathematiques, Faculte des Sciences Pharmaceutiques, Universite Paul Sabatier, 35 Chemin des Maraichers, 31062 Toulouse cedex (France))
1994-10-01
New forms of electron (positron) multiple scattering distributions are proposed. The first is intended for use in the conditions of validity of the Moliere theory. The second distribution takes place when the electron path is so short that only few elastic collisions occur. These distributions are adjustable formulas. The introduction of some parameters allows impositions of the correct value of the first moment. Only positive and analytic functions were used in constructing the present expressions. This makes sampling procedures easier. Systematic tests are presented and some Monte Carlo simulations, as benchmarks, are carried out. ((orig.))
Scattering of a vortex pair by a single quantum vortex in a Bose–Einstein condensate
Energy Technology Data Exchange (ETDEWEB)
Smirnov, L. A., E-mail: smirnov-lev@allp.sci-nnov.ru; Smirnov, A. I., E-mail: smirnov@appl.sci-nnov.ru; Mironov, V. A. [Russian Academy of Sciences, Institute of Applied Physics (Russian Federation)
2016-01-15
We analyze the scattering of vortex pairs (the particular case of 2D dark solitons) by a single quantum vortex in a Bose–Einstein condensate with repulsive interaction between atoms. For this purpose, an asymptotic theory describing the dynamics of such 2D soliton-like formations in an arbitrary smoothly nonuniform flow of a ultracold Bose gas is developed. Disregarding the radiation loss associated with acoustic wave emission, we demonstrate that vortex–antivortex pairs can be put in correspondence with quasiparticles, and their behavior can be described by canonical Hamilton equations. For these equations, we determine the integrals of motion that can be used to classify various regimes of scattering of vortex pairs by a single quantum vortex. Theoretical constructions are confirmed by numerical calculations performed directly in terms of the Gross–Pitaevskii equation. We propose a method for estimating the radiation loss in a collision of a soliton-like formation with a phase singularity. It is shown by direct numerical simulation that under certain conditions, the interaction of vortex pairs with a core of a single quantum vortex is accompanied by quite intense acoustic wave emission; as a result, the conditions for applicability of the asymptotic theory developed here are violated. In particular, it is visually demonstrated by a specific example how radiation losses lead to a transformation of a vortex–antivortex pair into a vortex-free 2D dark soliton (i.e., to the annihilation of phase singularities).
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.)
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.)
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.
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.
Single perturbative splitting diagrams in double parton scattering
Gaunt, Jonathan R.
2013-01-01
We present a detailed study of a specific class of graph that can potentially contribute to the proton-proton double parton scattering (DPS) cross section. These are the `2v1' or `single perturbative splitting' graphs, in which two `nonperturbatively generated' ladders interact with two ladders that have been generated via a perturbative 1 → 2 branching process. Using a detailed calculation, we confirm the result written down originally by Ryskin and Snigirev — namely, that the 2v1 graphs in which the two nonperturbatively generated ladders do not interact with one another do contribute to the leading order proton-proton DPS cross section, albeit with a different geometrical prefactor to the one that applies to the `2v2'/`zero perturbative splitting' graphs. We then show that 2v1 graphs in which the `nonperturbatively generated' ladders exchange partons with one another also contribute to the leading order proton-proton DPS cross section, provided that this `crosstalk' occurs at a lower scale than the 1 → 2 branching on the other side of the graph. Due to the preference in the 2v1 graphs for the x value at which the branching occurs, and crosstalk ceases, to be very much larger than the x values at the hard scale, the effect of crosstalk interactions is likely to be a decrease in the 2v1 cross section except at exceedingly small x values (≲ 10-6). At moderate x values ≃ 10-3 -10-2, the x value at the splitting is in the region ≃ 10-1 where PDFs do not change much with scale, and the effect of crosstalk interactions is likely to be small. We give an explicit formula for the contribution from the 2v1 graphs to the DPS cross section, and combine this with a suggestion that we made in a previous publication, that the `double perturbative splitting'/`1v1' graphs should be completely removed from the DPS cross section, to obtain a formula for the DPS cross section. It is pointed out that there are two potentially concerning features in this equation, that
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
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.
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.
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.
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.
and backscattering coefficients and the remote sensing reflectance are used to obtain a relationship for the backscattering ratio, which is defined as the ratio of the total backscattering to the total scattering in terms of the remote sensing reflectance of two...
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.
Inverse scattering solution for the spatially heterogeneous compliance of a single fracture
Minato, S.; Ghose, R.
2013-01-01
Characterizing the spatially heterogeneous fracture compliance through use of elastic waves has the potential to illuminate the hydraulic and mechanical properties along a fracture. We formulate the inverse scattering problem to estimate the heterogeneous compliance distribution along a single
Single scattering from nonspherical Chebyshev particles: A compendium of calculations
Wiscombe, W. J.; Mugnai, A.
1986-01-01
A large set of exact calculations of the scattering from a class of nonspherical particles known as Chebyshev particles' has been performed. Phase function and degree of polarization in random orientation, and parallel and perpendicular intensities in fixed orientations, are plotted for a variety of particles shapes and sizes. The intention is to furnish a data base against which both experimental data, and the predictions of approximate methods, can be tested. The calculations are performed with the widely-used Extended Boundary Condition Method. An extensive discussion of this method is given, including much material that is not easily available elsewhere (especially the analysis of its convergence properties). An extensive review is also given of all extant methods for nonspherical scattering calculations, as well as of the available pool of experimental data.
Ma, Shufen; Liu, Haiguang
2016-04-01
X-ray free-electron lasers generate intense femtosecond X-ray pulses, so that high-resolution structure determination becomes feasible from noncrystalline samples, such as single particles or single molecules. At the moment, the orientation of sample particles cannot be precisely controlled, and consequently the unknown orientation needs to be recovered using computational algorithms. This delays the model reconstruction until all the scattering patterns have been re-oriented, which often entails a long elapse of time and until the completion of the experiment. The scattering patterns from single particles or multiple particles can be summed to form a virtual powder diffraction pattern, and the low-resolution region, corresponding to the small-angle X-ray scattering (SAXS) regime, can be analysed using existing SAXS methods. This work presents a pipeline that converts single-particle data sets into SAXS data, from which real-time model reconstruction is achieved using the model retrieval approach implemented in the software package SASTBX [Liu, Hexemer & Zwart (2012). J. Appl. Cryst. 45 , 587-593]. To illustrate the applications, two case studies are presented with real experimental data sets collected at the Linac Coherent Light Source.
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
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
Hu, Shuai; Gao, Taichang; Li, Hao; Chen, Ming; Zhang, Feng; Yang, Bo
2017-07-24
In order to improve the computational efficiency of multi-resolution time domain (MRTD) scattering model, a multi-size synchronous-computational scheme (MSCS) is proposed. By using MSCS, the scattering properties of the particles with different sizes can be simultaneously calculated by MRTD model in one wave-particle interaction simulation. In this model, the pulse plane wave with a wide spectrum is taken as the incident light, and the light scattering simulation for particles with different sizes is transformed into the scattering calculation for a size-fixed particle at different wavelengths. To guarantee the stability and precision of the improved MRTD (IMRTD) model, the method to design model's input parameters, such as the spatial resolution, discrete time interval and pulse width, is proposed. To validate the accuracy of IMRTD model, its results are compared with those of Mie and T-Matrix theory, and the influence of spatial resolution on the precision of IMRTD is analyzed as well. At last, model's computational efficiency is also discussed. The simulation results show that, IMRTD method can calculate the scattering parameters of particles with different sizes simultaneously and accurately, where, in case that the pulse width is 5.56 × 10 -8 ns, and the radius of the size-fixed particle is 0.5μm (its size parameter is 6.28), light scattering process by particles with size parameters up to 12.56 can be successfully simulated. With the increasing of spatial resolution, the simulation accuracy is improved for all particles, and the improvement for large particles is more notable than that for small ones. It can also be found that the computational efficiency of IMRTD is much higher than that of traditional version.
Energy Technology Data Exchange (ETDEWEB)
Min, Jonghwan; Pua, Rizza; Cho, Seungryong, E-mail: scho@kaist.ac.kr [Department of Nuclear and Quantum Engineering, Korea Advanced Institute of Science and Technology (KAIST), 291 Daehak-ro, Yuseong-gu, Daejeon 305-701 (Korea, Republic of); Kim, Insoo; Han, Bumsoo [EB Tech, Co., Ltd., 550 Yongsan-dong, Yuseong-gu, Daejeon 305-500 (Korea, Republic of)
2015-11-15
Purpose: A beam-blocker composed of multiple strips is a useful gadget for scatter correction and/or for dose reduction in cone-beam CT (CBCT). However, the use of such a beam-blocker would yield cone-beam data that can be challenging for accurate image reconstruction from a single scan in the filtered-backprojection framework. The focus of the work was to develop an analytic image reconstruction method for CBCT that can be directly applied to partially blocked cone-beam data in conjunction with the scatter correction. Methods: The authors developed a rebinned backprojection-filteration (BPF) algorithm for reconstructing images from the partially blocked cone-beam data in a circular scan. The authors also proposed a beam-blocking geometry considering data redundancy such that an efficient scatter estimate can be acquired and sufficient data for BPF image reconstruction can be secured at the same time from a single scan without using any blocker motion. Additionally, scatter correction method and noise reduction scheme have been developed. The authors have performed both simulation and experimental studies to validate the rebinned BPF algorithm for image reconstruction from partially blocked cone-beam data. Quantitative evaluations of the reconstructed image quality were performed in the experimental studies. Results: The simulation study revealed that the developed reconstruction algorithm successfully reconstructs the images from the partial cone-beam data. In the experimental study, the proposed method effectively corrected for the scatter in each projection and reconstructed scatter-corrected images from a single scan. Reduction of cupping artifacts and an enhancement of the image contrast have been demonstrated. The image contrast has increased by a factor of about 2, and the image accuracy in terms of root-mean-square-error with respect to the fan-beam CT image has increased by more than 30%. Conclusions: The authors have successfully demonstrated that the
Min, Jonghwan; Pua, Rizza; Kim, Insoo; Han, Bumsoo; Cho, Seungryong
2015-11-01
A beam-blocker composed of multiple strips is a useful gadget for scatter correction and/or for dose reduction in cone-beam CT (CBCT). However, the use of such a beam-blocker would yield cone-beam data that can be challenging for accurate image reconstruction from a single scan in the filtered-backprojection framework. The focus of the work was to develop an analytic image reconstruction method for CBCT that can be directly applied to partially blocked cone-beam data in conjunction with the scatter correction. The authors developed a rebinned backprojection-filteration (BPF) algorithm for reconstructing images from the partially blocked cone-beam data in a circular scan. The authors also proposed a beam-blocking geometry considering data redundancy such that an efficient scatter estimate can be acquired and sufficient data for BPF image reconstruction can be secured at the same time from a single scan without using any blocker motion. Additionally, scatter correction method and noise reduction scheme have been developed. The authors have performed both simulation and experimental studies to validate the rebinned BPF algorithm for image reconstruction from partially blocked cone-beam data. Quantitative evaluations of the reconstructed image quality were performed in the experimental studies. The simulation study revealed that the developed reconstruction algorithm successfully reconstructs the images from the partial cone-beam data. In the experimental study, the proposed method effectively corrected for the scatter in each projection and reconstructed scatter-corrected images from a single scan. Reduction of cupping artifacts and an enhancement of the image contrast have been demonstrated. The image contrast has increased by a factor of about 2, and the image accuracy in terms of root-mean-square-error with respect to the fan-beam CT image has increased by more than 30%. The authors have successfully demonstrated that the proposed scanning method and image
Okamoto, Toshihiro; Fukuta, Tetsuya; Sato, Shuji; Haraguchi, Masanobu; Fukui, Masuo
2011-04-11
We succeeded in making a silver split-ring (SR) structure of approximately 130 nm in diameter on a glass substrate using a nanosphere lithography technique. The light scattering spectrum in visible near-infrared region of a single, isolated SR was measured using a microscope spectroscopy optical system. The electromagnetic field enhancement spectrum and distribution of the SR structure were simulated by the finite-difference time-domain method, and the excitation modes were clarified. The long wavelength peak in the light scattering spectra corresponded to a fundamental LC resonance mode excited by an incident electric field. It was shown that a single SR structure fabricated as abovementioned can operate as a resonator and generate a magnetic dipole. © 2011 Optical Society of America
DEFF Research Database (Denmark)
Tanev, Stoyan; Sun, Wenbo; Pond, James
2009-01-01
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 a new......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...
Characterization of Compton-scatter imaging with an analytical simulation method
Jones, Kevin C.; Redler, Gage; Templeton, Alistair; Bernard, Damian; Turian, Julius V.; Chu, James C. H.
2018-01-01
By collimating the photons scattered when a megavoltage therapy beam interacts with the patient, a Compton-scatter image may be formed without the delivery of an extra dose. To characterize and assess the potential of the technique, an analytical model for simulating scatter images was developed and validated against Monte Carlo (MC). For three phantoms, the scatter images collected during irradiation with a 6 MV flattening-filter-free therapy beam were simulated. Images, profiles, and spectra were compared for different phantoms and different irradiation angles. The proposed analytical method simulates accurate scatter images up to 1000 times faster than MC. Minor differences between MC and analytical simulated images are attributed to limitations in the isotropic superposition/convolution algorithm used to analytically model multiple-order scattering. For a detector placed at 90° relative to the treatment beam, the simulated scattered photon energy spectrum peaks at 140-220 keV, and 40-50% of the photons are the result of multiple scattering. The high energy photons originate at the beam entrance. Increasing the angle between source and detector increases the average energy of the collected photons and decreases the relative contribution of multiple scattered photons. Multiple scattered photons cause blurring in the image. For an ideal 5 mm diameter pinhole collimator placed 18.5 cm from the isocenter, 10 cGy of deposited dose (2 Hz imaging rate for 1200 MU min-1 treatment delivery) is expected to generate an average 1000 photons per mm2 at the detector. For the considered lung tumor CT phantom, the contrast is high enough to clearly identify the lung tumor in the scatter image. Increasing the treatment beam size perpendicular to the detector plane decreases the contrast, although the scatter subject contrast is expected to be greater than the megavoltage transmission image contrast. With the analytical method, real-time tumor tracking may be possible
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.
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
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.
Numerical simulations of electromagnetic scattering by Solar system objects
Dlugach, Janna M.
2016-11-01
Having been profoundly stimulated by the seminal work of Viktor V. Sobolev, I have been involved in multi-decadal research in the fields of radiative transfer, electromagnetic scattering by morphologically complex particles and particulate media, and planetary remote sensing. Much of this research has been done in close collaboration with other "descendants" of Academician Sobolev. This tutorial paper gives a representative overview of the results of extensive numerical simulations (in the vast majority carried out in collaboration with Michael Mishchenko) used to analyze remote-sensing observations of Solar system objects and based on highly accurate methods of the radiative transfer theory and direct computer solvers of the Maxwell equations. Using the atmosphere of Jupiter as a proving ground and performing T-matrix and radiative-transfer calculations helps demonstrate the strong effect of aerosol-particle shapes on the accuracy of remote-sensing retrievals. I then discuss the application of the T-matrix method, a numerically exact solution of the vector radiative transfer equation, and the theory of coherent backscattering to an analysis of polarimetric radar observations of Saturn's rings. Numerical modeling performed by using the superposition T-matrix method in application to cometary dust in the form of aggregates serves to reproduce the results of polarimetric observations of the distant comet C/2010 S1. On the basis of direct computer solutions of the Maxwell equations, it is demonstrated that all backscattering effects predicted by the low-density theories of radiative transfer and coherent backscattering can also be identified for media with volume packing densities typically encountered in natural and artificial environments. This result implies that spectacular opposition effects observed for some high-albedo atmoshereless Solar system bodies can be attributed to coherent backscattering of sunlight by regolith layers composed of microscopic particles.
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.
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.
Borissov, A.; Kontar, E. P.; Threlfall, J.; Neukirch, T.
2017-09-01
The conversion of magnetic energy into other forms (such as plasma heating, bulk plasma flows, and non-thermal particles) during solar flares is one of the outstanding open problems in solar physics. It is generally accepted that magnetic reconnection plays a crucial role in these conversion processes. In order to achieve the rapid energy release required in solar flares, an anomalous resistivity, which is orders of magnitude higher than the Spitzer resistivity, is often used in magnetohydrodynamic (MHD) simulations of reconnection in the corona. The origin of Spitzer resistivity is based on Coulomb scattering, which becomes negligible at the high energies achieved by accelerated particles. As a result, simulations of particle acceleration in reconnection events are often performed in the absence of any interaction between accelerated particles and any background plasma. This need not be the case for scattering associated with anomalous resistivity caused by turbulence within solar flares, as the higher resistivity implies an elevated scattering rate. We present results of test particle calculations, with and without pitch angle scattering, subject to fields derived from MHD simulations of two-dimensional (2D) X-point reconnection. Scattering rates proportional to the ratio of the anomalous resistivity to the local Spitzer resistivity, as well as at fixed values, are considered. Pitch angle scattering, which is independent of the anomalous resistivity, causes higher maximum energies in comparison to those obtained without scattering. Scattering rates which are dependent on the local anomalous resistivity tend to produce fewer highly energised particles due to weaker scattering in the separatrices, even though scattering in the current sheet may be stronger when compared to resistivity-independent scattering. Strong scattering also causes an increase in the number of particles exiting the computational box in the reconnection outflow region, as opposed to along the
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
Single particle analysis with a 360/sup 0/ light scattering photometer
Energy Technology Data Exchange (ETDEWEB)
Bartholdi, M.F.
1979-06-01
Light scattering by single spherical homogeneous particles in the diameter range 1 to 20 ..mu..m 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/sup 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/sup 0/ to 177.5/sup 0/ at phi = 0/sup 0/ and 180/sup 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/sup 0/ in scattering angle on 6/sup 0/ centers around 360/sup 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.
Diffuse neutron scattering from an in situ grown α-AgI single crystal
International Nuclear Information System (INIS)
Keen, D.A.; Nield, V.M.; McGreevy, R.L.
1994-01-01
A large single crystal of α-AgI was grown in situ from the melt on the SXD single-crystal neutron time-of-flight Laue diffractometer using a specially designed furnace. A wide range of reciprocal space was accessed with minimal rotation of the arbitrarily aligned sample. Weak rings of diffuse scattering were observed together with strong scattering around some Bragg peaks. The results are discussed with reference to earlier powder diffraction data and indicate significant correlations between the motion of the silver ions and the vibrations of the iodide ions. (orig.)
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
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.
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
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.
Neutron Scattering in MoNA detector bars for Comparison with Simulation
Wantz, A.; Boone, J. E.; Rogers, W. F.; Frank, N.; Kuchera, A. N.; Mosby, S.; Thoennessen, M.; MoNA Collaboration
2017-09-01
In order to test the effectiveness and accuracy of Monte Carlo simulation (GEANT4 with Menate_R), used by the MoNA collaboration for interpreting neutron-scattering data from the MoNA (Modular Neutron Array) and LISA (Large multi-Institutional Scintillator Arrays at NSCL, MSU, an experiment was conducted at Los Alamos LANSCE center in which 16 MoNA detector bars were exposed to a well characterized neutron beam. Each MoNA bar consists of BC408 organic scintillator measuring 200×10×10 cm3 with PMTs attached to each end. In order to properly characterize important neutron scattering signatures over a wide range of incoming neutron energy, such as scattering angle, mean distance between scatters, multiplicity, and dark-scatter, it is important that background be fully understood and corrected for. Background sources include neutrons scattered from the collimator on entrance to the room, decay of neutron-activation within the bars, neutrons scattering in the room, and cosmic muons. Several methods for accounting for and removing background contributions to data were developed so that data can be compared directly with simulation (which does not contain these background features). Results, including scattering data comparisons with simulation will be presented. Work supported by NSF Grant PHY-1744043.
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.
Single-scattering properties of Platonic solids in geometrical-optics regime
International Nuclear Information System (INIS)
Zhang Zhibo; Yang Ping; Kattawar, George W.; Wiscombe, Warren J.
2007-01-01
We investigate the single-scattering properties of the Platonic solids with size parameters in the geometrical-optics regime at wavelengths 0.66 and 11 μm using the geometrical-optics method. The comparisons between the results for the Platonic solids and four types of spherical equivalence show that the equal-surface-area spherical equivalence has the smallest errors in terms of the extinction cross section at both wavelengths. At a wavelength of 0.66 μm, all the spherical equivalences substantially overestimate the asymmetry factors of the Platonic solids; and in the case of strong absorption, they underestimate the single-scattering albedo. The comparisons also show that the spherical equivalences cannot be used to describe the spatial distribution of scattered intensity associated with a prismatic polyhedron
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)
Díaz, Oliver; García, Eloy; Oliver, Arnau; Martí, Joan; Martí, Robert
2017-03-01
Scattered radiation is an undesired signal largely present in most digital breast tomosynthesis (DBT) projection images as no physically rejection methods, i.e. anti-scatter grids, are regularly employed, in contrast to full- field digital mammography. This scatter signal might reduce the visibility of small objects in the image, and potentially affect the detection of small breast lesions. Thus accurate scatter models are needed to minimise the scattered radiation signal via post-processing algorithms. All prior work on scattered radiation estimation has assumed a rigid breast compression paddle (RP) and reported large contribution of scatter signal from RP in the detector. However, in this work, flexible paddles (FPs) tilting from 0° to 10° will be studied using Monte Carlo simulations to analyse if the scatter distribution differs from RP geometries. After reproducing the Hologic Selenia Dimensions geometry (narrow angle) with two (homogeneous and heterogeneous) compressed breast phantoms, results illustrate that the scatter distribution recorded at the detector varies up to 22% between RP and FP geometries (depending on the location), mainly due to the decrease in thickness of the breast observed for FP. However, the relative contribution from the paddle itself (3-12% of the total scatter) remains approximately unchanged for both setups and their magnitude depends on the distance to the breast edge.
Numerical Simulation of Acoustic Scatter from Subsurface Bubble Clouds
1989-10-18
Ellinthorpe, 1989. [6] Serge Baldy. Bubbles in the close vicinity of breaking waves: Statistical character- istics of the generation and dispersion...and J. Vlieger. Light scattering by a sphere on a substrate. Physica. 137(A):209-242, 1986. [13] R. H. Lang . Electromagnetic backscattering from a
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
Otsuki, Soichi
2018-02-01
The effective scattering Mueller matrices were measured for backward and forward scattering by applying a narrow polarized light on a polyacrylamide slab gel, which was strained vertically to generate birefringence inside. Monte Carlo simulations were performed in conditions that were the same as possible. The measured and simulated matrices were simplified to the reduced ones. They agreed well in both original and reduced forms. While they approximately take reciprocal forms for backward scattering, they approximately satisfy matrix forms that correspond to a reciprocal position of the mirror image for forward scattering. The reduced matrices were factorized by the Lu-Chipman polar decomposition to obtain the polarization parameters. The polarization parameters were in good agreement between the measurement and simulation and showed characteristic features of anisotropic slab media with a birefringence axis parallel to the slab surface.
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
Resonant Rayleigh light scattering of single Au nanoparticles with different sizes and shapes.
Truong, Phuoc Long; Ma, Xingyi; Sim, Sang Jun
2014-02-21
Scientific interest in nanotechnology is driven by the unique and novel properties of nanometer-sized metallic materials such as the strong interaction between the conductive electrons of the nanoparticles and the incident light, caused by localized surface plasmon resonances (LSPRs). In this article, we analysed the relationship of the Rayleigh scattering properties of a single Au nanoparticle with its size, shape, and local dielectric environment. We also provided a detailed study on the refractive index sensitivity of three types of differently shaped Au nanoparticles, which were nanospheres, oval-shaped nanoparticles and nanorods. This study helps one to differentiate the Rayleigh light scattering from individual nanoparticles of different sizes and/or shapes and precisely obtain quantitative data as well as the correlated optical spectra of single gold nanoparticles from the inherently inhomogeneous solution of nanoparticles. These results suggest that the shape, size and aspect ratio of Au nanoparticles are important structural factors in determining the resonant Rayleigh light scattering properties of a single Au nanoparticle such as its spectral peak position, scattering-cross-section and refractive index sensitivity, which gives a handle for the choice of gold nanoparticles for the design and fabrication of single nanosensors.
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...
Kwon Ho Lee; Zhanqing Li; Man Sing Wong; Jinyuan Xin; Wang Yuesi; Wei Min Hao; Fengsheng Zhao
2007-01-01
Single scattering albedo (SSA) governs the strength of aerosols in absorbing solar radiation, but few methods are available to directly measure this important quantity. There currently exist many ground-based measurements of spectral transmittance from which aerosol optical thickness (AOT) are retrieved under clear sky conditions. Reflected radiances at the top of the...
Spatial distribution of mineral dust single scattering albedo based on DREAM model
Kuzmanoski, Maja; Ničković, Slobodan; Ilić, Luka
2016-04-01
Mineral dust comprises a significant part of global aerosol burden. There is a large uncertainty in estimating role of dust in Earth's climate system, partly due to poor characterization of its optical properties. Single scattering albedo is one of key optical properties determining radiative effects of dust particles. While it depends on dust particle sizes, it is also strongly influenced by dust mineral composition, particularly the content of light-absorbing iron oxides and the mixing state (external or internal). However, an assumption of uniform dust composition is typically used in models. To better represent single scattering albedo in dust atmospheric models, required to increase accuracy of dust radiative effect estimates, it is necessary to include information on particle mineral content. In this study, we present the spatial distribution of dust single scattering albedo based on the Dust Regional Atmospheric Model (DREAM) with incorporated particle mineral composition. The domain of the model covers Northern Africa, Middle East and the European continent, with horizontal resolution set to 1/5°. It uses eight particle size bins within the 0.1-10 μm radius range. Focusing on dust episode of June 2010, we analyze dust single scattering albedo spatial distribution over the model domain, based on particle sizes and mineral composition from model output; we discuss changes in this optical property after long-range transport. Furthermore, we examine how the AERONET-derived aerosol properties respond to dust mineralogy. Finally we use AERONET data to evaluate model-based single scattering albedo. Acknowledgement We would like to thank the AERONET network and the principal investigators, as well as their staff, for establishing and maintaining the AERONET sites used in this work.
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.
Ultra-small-angle x-ray scattering by single-crystal Al deformed in situ
Long, Gabrielle; Levine, Lyle
1997-03-01
Among the earliest small-angle x-ray scattering and small-angle neutron scattering experiments were attempts to study dislocation structures. These structures have proven to be very difficult to measure because of the intrinsically low contrast of the microstructure, and the requirement that multiple Bragg diffraction be strictly avoided. Thus, many attempts to measure dislocation structures have been compromised by these difficulties. We present results from ultra-small-angle x-ray scattering measurements on single-crystal Al, deformed in situ on beam line X23A3 at the National Synchrotron Light Source. Radiographic images, which are in the O-beam position for diffraction, were taken of the scattering volume. The Al crystal was also rotated to ensure that the scattering data would be accumulated in a region sufficiently distant from accidental Bragg diffractions. Stress-strain data were obtained simultaneously with the x-ray scattering data. We report on the evolution of dislocation structures from 0% strain to 18% strain.
Direct Observation of Neutron Scattering in BC408 Scintillator for Comparison with SImulation
Rogers, W. F.; Boone, J. E.; Wantz, A.; Frank, N.; Kuchera, A. N.; Mosby, S.; Thoennessen, M.; MoNA Collaboration
2017-09-01
Monte Carlo simulation provides an important tool for the interpretation of neutron scattering data in the Modular Neutron Array (MoNA) and the Large multi-Institutional Scintillator Array (LISA), each located at the NSCL facility at MSU and consisting of 144 stacked 2-m long organic plastic scintillator bar detectors. Energy and trajectory for unbound state decay neutrons are determined by time of flight and location of first light produced in the array. While most neutrons scattering elastically from protons and inelastically from C nuclei produce light above detector threshold, those scattered elastically from C remain below threshold (``dark scatter''), altering neutron trajectories, thus decreasing energy and momentum resolution. To test the accuracy of our Geant4/MENATE_R simulations, we observed neutrons scattering from 16 MoNA bars arranged in two stack geometries at the LANSCE facility at Los Alamos National Laboratory. Spallation neutrons ranging in energy from 0.5 to 800 MeV emerged from a 3 mm collimator in the 90m shed on WNR flight path 4FP15L and struck the array along a well defined path. Results for neutron hit multiplicity, scattering dynamics, and dark scatter redirection are compared with simulation. Work supported by NSF Grant PHY-1744043.
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.
A discrete-time channel simulator driven by measured scattering functions
Walree, P.A. van; Jenserud, T.; Smedsrud, M.
2008-01-01
In-situ measurements of the scattering function are used to drive a channel simulator developed in the context of underwater acoustic telemetry. Two operation modes of the simulator are evaluated. A replay mode is accomplished by interpolation of measured impulse responses. A second, stochastic mode
Azimuthal and single spin asymmetry in deep-inelasticlepton-nucleon scattering
Energy Technology Data Exchange (ETDEWEB)
Liang, Zuo-tang; Wang, Xin-Nian
2006-09-21
The collinear expansion technique is generalized to thefactorization of unintegrated parton distributions and other higher twistparton correlations from the corresponding collinear hard parts thatinvolve multiple parton final state interaction. Such a generalizedfactorization provides a consistent approach to the calculation ofinclusive and semi-inclusive cross sections of deep-inelasticlepton-nucleon scattering. As an example, the azimuthal asymmetry iscalculated to the order of 1/Q in semi-inclusive deeply inelasticlepton-nucleon scattering with transversely polarized target. Anon-vanishing single-spin asymmetry in the "triggered inclusive process"is predicted to be 1/Q suppressed with a part of the coefficient relatedto a moment of the Sivers function.
Son, Taehwang; Kim, Donghyun
2015-03-01
We present a theoretical approach to single nanoparticle detection using surface plasmon scattering microscopy. Through rigorous coupled wave analysis assuming light incidence on a gold coated BK7 glass substrate under total internal reflection condition for a 200-nm polystyrene as targets attached to the gold film, it was found that surface plasmon polariton induced by incident light on the gold thin film is perturbed. As a result, parabolic waves were observed in the reflection plane. By varying angles of incidence and wavelengths, optimum incident conditions for surface plasmon scattering microscopy were obtained.
Zhu, Liang; Li, Guohua; He, Yonghong; Tan, Hui; Sun, Shuqing
2018-02-01
A highly sensitive homogeneous method for DNA detection has been developed. The system relies on two kinds of gold nanorod (AuNR) probes with complementary DNA sequences to the target DNA. In the presence of the target DNA, two kinds of AuNR probes are assembling into dimers or small aggregates. The target-induced AuNR aggregate has higher scattering intensity than that of a single AuNR because of the plasmonic coupling effect. Dark field microscopy was utilized to image the single particle and measure its scattering intensity. We wrote our own Matlab code and used it to extract the scattering signal of all particles. Difference in distribution of scattering intensity between the single AuNR and its aggregate provides a quantitative basis for the detection of target DNA. A linear dynamic range spanning from 0.1pM to 1nM and a detection limit of ~ 30fM were achieved for the detection of DNA in serum sample. Copyright © 2017 Elsevier B.V. All rights reserved.
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.
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.
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)
Foschum, Florian; Kienle, Alwin
2013-08-01
We present simulations and measurements with an optimized goniometer for determination of the scattering phase function of suspended particles. We applied the Monte Carlo method, using a radially layered cylindrical geometry and mismatched boundary conditions, in order to investigate the influence of reflections caused by the interfaces of the glass cuvette and the scatterer concentration on the accurate determination of the scattering phase function. Based on these simulations we built an apparatus which allows direct measurement of the phase function from ϑ=7 deg to ϑ=172 deg without any need for correction algorithms. Goniometric measurements on polystyrene and SiO2 spheres proved this concept. Using the validated goniometer, we measured the phase function of yeast cells, demonstrating the improvement of the new system compared to standard goniometers. Furthermore, the scattering phase function of different fat emulsions, like Intralipid, was determined precisely.
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.
Mie Scattering by a Conducting Sphere Coated Uniaxial Single-Negative Medium
Directory of Open Access Journals (Sweden)
You-Lin Geng
2012-01-01
Full Text Available We propose an accurate analytical method to compute the electromagnetic scattering from three-dimensional (3D conducting sphere coated uniaxial anisotropic single-negative (SNG medium. Based on the spherical vector wave functions (SVWFs in uniaxial anisotropic medium, the electromagnetic field in homogeneous uniaxial SNG medium and free space can be expressed by the SVWFs in uniaxial SNG medium and free space. The continued boundary conditions of electromagnetic fields between the uniaxial SNG medium and free space are applied, and the tangential electrical field is vanished in the surface of conducting sphere, the coefficients of scattering fields in free space can be derived, and then the character of scattering of conducting sphere coated homogeneous uniaxial SNG medium can be obtained. Some numericals are given in the end.
Room scatter effects in Total Skin Electron Irradiation: Monte Carlo simulation study.
Nevelsky, Alexander; Borzov, Egor; Daniel, Shahar; Bar-Deroma, Raquel
2017-01-01
Total Skin Electron Irradiation (TSEI) is a complex technique which usually involves the use of large electron fields and the dual-field approach. In this situation, many electrons scattered from the treatment room floor are produced. However, no investigations of the effect of scattered electrons in TSEI treatments have been reported. The purpose of this work was to study the contribution of floor scattered electrons to skin dose during TSEI treatment using Monte Carlo (MC) simulations. All MC simulations were performed with the EGSnrc code. Influence of beam energy, dual-field angle, and floor material on the contribution of floor scatter was investigated. Spectrum of the scattered electrons was calculated. Measurements of dose profile were performed in order to verify MC calculations. Floor scatter dependency on the floor material was observed (at 20 cm from the floor, scatter contribution was about 21%, 18%, 15%, and 12% for iron, concrete, PVC, and water, respectively). Although total dose profiles exhibited slight variation as functions of beam energy and dual-field angle, no dependence of the floor scatter contribution on the beam energy or dual-field angle was found. The spectrum of the scattered electrons was almost uniform between a few hundred KeV to 4 MeV, and then decreased linearly to 6 MeV. For the TSEI technique, dose contribution due to the electrons scattered from the room floor may be clinically significant and should be taken into account during design and commissioning phases. MC calculations can be used for this task. © 2017 The Authors. Journal of Applied Clinical Medical Physics published by Wiley Periodicals, Inc. on behalf of American Association of Physicists in Medicine.
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)
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 initialised with in situ data collected during the May 2004 GreenIce ice camp in the Lincoln Sea (73ºW; 85ºN). Our results show that the snow cover is important for the effective scattering surface depth in sea ice and thus for the range measurement, ice freeboard and ice thickness estimation....
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).
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.
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
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.
Directory of Open Access Journals (Sweden)
Qiang Yang
2015-03-01
Full Text Available Focusing light though scattering media beyond the ballistic regime is a challenging task in biomedical optical imaging. This challenge can be overcome by wavefront shaping technique, in which a time-reversed (TR wavefront of scattered light is generated to suppress the scattering. In previous TR optical focusing experiments, a phase-only spatial light modulator (SLM has been typically used to control the wavefront of incident light. Unfortunately, although the phase information is reconstructed by the phase-only SLM, the amplitude information is lost, resulting in decreased peak-to-background ratio (PBR of optical focusing in the TR wavefront reconstruction. A new method of TR optical focusing through scattering media is proposed here, which numerically reconstructs the full phase and amplitude of a simulated scattered light field by using a single phase-only SLM. Simulation results and the proposed optical setup show that the time-reversal of a fully developed speckle field can be digitally implemented with both phase and amplitude recovery, affording a way to improve the performance of light focusing through scattering media.
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)
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.
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)
Buckman, S.J. [Australian National Univ., Canberra, ACT (Australia). Research School of Physical Sciences; Brunger, M.J. [Flinders Univ. of South Australia, Bedford Park, SA (Australia). School of Physical Sciences
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.
Small angle neutron scattering study of isolated single wall carbon nano tubes in water
International Nuclear Information System (INIS)
Doe, Chang-Woo; Kim, Tae-Hwan; Choi, Sung-Min; Kline, Steven R.
2007-01-01
As an effort to provide more practical approaches to a wide range of potential applications of carbon nano tubes, we report a new type of noncovalently functionalized isolated single-walled carbon nano tube(SWNT) which is easily dispersible in water by only ten minutes of mild vortex mixing. The structure and quality of dispersion have been investigated using small angle neutron scattering (SANS) technique
Xiao, Yongchuan; Guo, Jing; Wu, Kui; Qu, Pengfei; Qi, Huajuan; Liu, Caixia; Ruan, Shengping; Chen, Weiyou; Dong, Wei
2013-02-11
A single passband microwave photonic filter with ultrawide tunable range based on stimulated Brillouin scattering is theoretically analyzed. Combining the gain and loss spectrums, tuning range with 44GHz is obtained without crosstalk by introducing two pumps. Adding more pumps, Tuning range multiplying with the multiplication factor equaling to the total quantity of pump can be achieved, which has potential application in microwave and millimeter wave wireless communication systems.
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
Zhang, Xiang; Zhang, Kuan; Shen, Yangchao; Zhang, Shuaining; Zhang, Jing-Ning; Yung, Man-Hong; Casanova, Jorge; Pedernales, Julen S; Lamata, Lucas; Solano, Enrique; Kim, Kihwan
2018-01-15
Quantum field theories describe a variety of fundamental phenomena in physics. However, their study often involves cumbersome numerical simulations. Quantum simulators, on the other hand, may outperform classical computational capacities due to their potential scalability. Here we report an experimental realization of a quantum simulation of fermion-antifermion scattering mediated by bosonic modes, using a multilevel trapped ion, which is a simplified model of fermion scattering in both perturbative and non-perturbative quantum electrodynamics. The simulated model exhibits prototypical features in quantum field theory including particle pair creation and annihilation, as well as self-energy interactions. These are experimentally observed by manipulating four internal levels of a 171 Yb + trapped ion, where we encode the fermionic modes, and two motional degrees of freedom that simulate the bosonic modes. Our experiment establishes an avenue towards the efficient implementation of field modes, which may prove useful in studies of quantum field theories including non-perturbative regimes.
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
Micromagnetic simulation of magnetic small-angle neutron scattering from two-phase nanocomposites
International Nuclear Information System (INIS)
Michels, Andreas; Erokhin, Sergey; Berkov, Dmitry; Gorn, Nataliya
2014-01-01
The recent development of a micromagnetic simulation methodology—suitable for multiphase magnetic nanocomposites—permits the computation of the magnetic microstructure and of the associated magnetic small-angle neutron scattering (SANS) cross section of these materials. In this review we summarize results on the micromagnetic simulation of magnetic SANS from two-phase nanocomposites. The decisive advantage of this approach resides in the possibility to scrutinize the individual magnetization Fourier contributions to the total magnetic SANS cross section, rather than their sum, which is generally obtained from the experiment. The procedure furnishes unique and fundamental information regarding magnetic neutron scattering from nanomagnets
Micromagnetic simulation of magnetic small-angle neutron scattering from two-phase nanocomposites
Energy Technology Data Exchange (ETDEWEB)
Michels, Andreas, E-mail: andreas.michels@uni.lu [Physics and Materials Science Research Unit, University of Luxembourg, 162A Avenue de la Faïencerie, L-1511 Luxembourg (Luxembourg); Erokhin, Sergey; Berkov, Dmitry; Gorn, Nataliya [INNOVENT Technology Development, Prüssingstraße 27B, D-07745 Jena (Germany)
2014-01-15
The recent development of a micromagnetic simulation methodology—suitable for multiphase magnetic nanocomposites—permits the computation of the magnetic microstructure and of the associated magnetic small-angle neutron scattering (SANS) cross section of these materials. In this review we summarize results on the micromagnetic simulation of magnetic SANS from two-phase nanocomposites. The decisive advantage of this approach resides in the possibility to scrutinize the individual magnetization Fourier contributions to the total magnetic SANS cross section, rather than their sum, which is generally obtained from the experiment. The procedure furnishes unique and fundamental information regarding magnetic neutron scattering from nanomagnets.
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
Eck, T. F.; Holben, B. N.; Mukelabai, M. M.; Dubovik, O.; Smirnov, A.; Schafer, J. S.; Slutsker, I.
2002-05-01
Monitoring of the optical properties of primarily biomass burning aerosols in Mongu, Zambia was initiated in 1995, when an AERONET sun/sky radiometer site was established at the Mongu airport. For the biomass burning season months (July-November), we present monthly means of aerosol single scattering albedo (SSA), aerosol size distributions, and refractive indices from almucantar sky scan retrievals utilizing the algorithm of Dubovik and King (2000). The monthly mean single scattering albedo at 440 nm in Mongu was found to increase significantly from July (0.845) to October (0.93). The slope of the spectral dependence of aerosol single scattering albedo with wavelength decreased as SSA increased from July to October. However, there was no significant change in particle size in either the dominant accumulation or secondary coarse modes during these months. Similarly, seasonal SSA retrievals for Etosha Pan, Namibia also show increasing values through the burning season in 2000. We also analyze the seasonality of SSA for sites in biomass burning regions of Amazonia. We show maps of satellite detected fire counts which indicate that the regions of primary biomass burning shift significantly from July to October. Possible reasons for the seasonal changes in observed SSA include differences in aging to due transport speed and distance from source regions, differences in biomass fuel types in different regions (fraction of woody biomass versus grasses), and differences in fuel moisture content (October is the beginning of the rainy season on both continents).
Accounting for material scatter in sheet metal forming simulations
Wiebenga, J.H.; Atzema, E.H.; Atzema, E.H.; Boterman, R.; Abspoel, M.; van den Boogaard, Antonius H.; Hora, P.
2013-01-01
Robust design of forming processes is gaining attention throughout the industry. To analyze the robustness of a sheet metal forming process using Finite Element (FE) simulations, an accurate input in terms of parameter variation is required. This paper presents a pragmatic, accurate and economic
Pitch-angle scattering driven by a single wave in Tokamak plasma
International Nuclear Information System (INIS)
Qiu Yunqing; Xia Mengfen
1988-01-01
The interaction of particles with a single wave in a Tokamak plasma is investigated. It is pointed out that the stochastic pitch-angle scattering across the trapped/passing boundary may be driven by a single wave. The characteristics of such separatrix crossings are discussed. It is also found that the wave-driven separatrix crossings are accompanied by a radial flow of particles, which is composed of a directional flow and a diffusional flow. The resultant pitch-angle and radial fluxes are calculated. (author)
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.)
Accelerated Monte Carlo simulation for scatter correction in SPECT
Jong, Hugo Wilhelmus Antonius Maria de
2001-01-01
Single Photon Emission Tomography (SPECT) is often used in the clinical practice to image the distribution of photon-emitting pharmaceuticals in the patient. From this distribution, functional information can be obtained (e.g. perfusion and metabolic processes). To assess the viability of
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.
Dykeman, Eric C.; Benson, Daryn; Tsen, K.-T.; Sankey, Otto F.
2009-10-01
We develop a theoretical framework, based on a bond-polarizability model, for simulating the impulsive force experienced on a protein or an assembly of proteins from a pulsed light source by coupling the laser electric field to an atomic distortion. The mechanism is impulsive stimulated Raman scattering (ISRS) where mechanical distortions produce variation in the electronic polarization through atomic displacements similar to vibrational Raman scattering. The magnitude of the impulsive force is determined from the empirical two-body bond-polarizability model and the intensity of the incident light. We apply the method to the M13 bacteriophage protein capsid system by performing several classical molecular-dynamics simulations that include the additional impulsive laser scattering force at various light intensities and pulse widths. The results of the molecular-dynamics simulations are then qualitatively interpreted with a simple harmonic oscillator model driven by ISRS. The intensity of light required to produce damage to the capsid in the simulations was found to be far higher than what was found in recent pulsed laser scattering experiments of M13 phage, suggesting that the observed inactivation of viruses with ultrashort laser pulses involves processes and/or mechanisms not taken into account in the present simulations.
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
Kaina, Nadège; Lemoult, Fabrice; Fink, Mathias; Lerosey, Geoffroy
2015-09-03
Metamaterials, man-made composite media structured on a scale much smaller than a wavelength, offer surprising possibilities for engineering the propagation of waves. One of the most interesting of these is the ability to achieve superlensing--that is, to focus or image beyond the diffraction limit. This originates from the left-handed behavior--the property of refracting waves negatively--that is typical of negative index metamaterials. Yet reaching this goal requires the design of 'double negative' metamaterials, which act simultaneously on the permittivity and permeability in electromagnetics, or on the density and compressibility in acoustics; this generally implies the use of two different kinds of building blocks or specific particles presenting multiple overlapping resonances. Such a requirement limits the applicability of double negative metamaterials, and has, for example, hampered any demonstration of subwavelength focusing using left-handed acoustic metamaterials. Here we show that these strict conditions can be largely relaxed by relying on media that consist of only one type of single resonant unit cell. Specifically, we show with a simple yet general semi-analytical model that judiciously breaking the symmetry of a single negative metamaterial is sufficient to turn it into a double negative one. We then demonstrate that this occurs solely because of multiple scattering of waves off the metamaterial resonant elements, a phenomenon often disregarded in these media owing to their subwavelength patterning. We apply our approach to acoustics and verify through numerical simulations that it allows the realization of negative index acoustic metamaterials based on Helmholtz resonators only. Finally, we demonstrate the operation of a negative index acoustic superlens, achieving subwavelength focusing and imaging with spot width and resolution 7 and 3.5 times better than the diffraction limit, respectively. Our findings have profound implications for the
Nonlinear Fluid Simulation Study of Stimulated Raman and Brillouin Scatterings in Shock Ignition
Ren, Chuang; Hao, Liang; Yan, Rui; Li, Jun; Liu, Wenda
2017-10-01
We developed a new nonlinear fluid laser-plasma-instability code FLAME using a multi-fluid plasma model combined with full electromagnetic wave equations. The completed one-dimensional (1D) version of FLAME was used to study laser-plasma instabilities in shock ignition. The simulations results showed that absolute Stimulated Raman Scattering (SRS) modes growing near the quarter-critical surface were saturated by Langmuir-wave Decay Instabilities (LDI) and pump depletion. The ion-acoustic waves from LDI acted as seeds of Stimulated Brillouin Scattering (SBS), which displayed a bursting pattern and caused strong pump depletion. Re-scattering of SRS was also observed in a high temperature case. These results largely agreed with corresponding Particle-in-Cell simulations. Work funded by DOE (DE-SC0012316), NSF (PHY-1314734), NSFC (11642020, 11621202), and Science Challenge Project (No. JCKY2016212A505).
Monte Carlo Simulations of Thin Internal Target Scattering In CELSIUS
Rao, Yi-Nong
2005-01-01
In the practical operation of the storage ring CELSIUS with the hydrogen pellet target, we simetimes observe a cooling phenomenon in the longitudinal phase space, that is, the circulating beam's phase space gets shrunk instead of blown up. This phenomenon occurs independently on the electron cooling. In this paper, we aim to investigate and interpret this phenomenon as well as the beam lifetime in the presence of hydrogen pellet target with and without rf and with and without electron cooling in CELSIUS using Monte Carlo simulations.
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.
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.
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
Fast and scalable algorithm for the simulation of multiple Mie scattering in optical systems.
Kalthoff, Oliver; Kampmann, Ronald; Streicher, Simon; Sinzinger, Stefan
2016-05-20
The Monte Carlo simulation of light propagation in optical systems requires the processing of a large number of photons to achieve a satisfactory statistical accuracy. Based on classical Mie scattering, we experimentally show that the independence of photons propagating through a turbid medium imposes a postulate for a concurrent and scalable programming paradigm of general purpose graphics processing units. This ensures that, without rewriting code, increasingly complex optical systems can be simulated if more processors are available in the future.
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.
Polarimetric infrared imaging simulation of a synthetic sea surface with Mie scattering.
He, Si; Wang, Xia; Xia, Runqiu; Jin, Weiqi; Liang, Jian'an
2018-03-01
A novel method to simulate the polarimetric infrared imaging of a synthetic sea surface with atmospheric Mie scattering effects is presented. The infrared emission, multiple reflections, and infrared polarization of the sea surface and the Mie scattering of aerosols are all included for the first time. At first, a new approach to retrieving the radiative characteristics of a wind-roughened sea surface is introduced. A two-scale method of sea surface realization and the inverse ray tracing of light transfer calculation are combined and executed simultaneously, decreasing the consumption of time and memory dramatically. Then the scattering process that the infrared light emits from the sea surface and propagates in the aerosol particles is simulated with a polarized light Monte Carlo model. Transformations of the polarization state of the light are calculated with the Mie theory. Finally, the polarimetric infrared images of the sea surface of different environmental conditions and detection parameters are generated based on the scattered light detected by the infrared imaging polarimeter. The results of simulation examples show that our polarimetric infrared imaging simulation can be applied to predict the infrared polarization characteristics of the sea surface, model the oceanic scene, and guide the detection in the oceanic environment.
A comparative investigation of scatter correction in 3D PET
International Nuclear Information System (INIS)
Polycarpou, I; Marsden, P K; Tsoumpas, C
2011-01-01
In 3D PET scatter degrades image quality and quantification. The currently most popular scatter estimation method is the single scatter simulation (SSS) which accommodates for multiple scattering by scaling the single scatter estimation. However, it has not been clear yet how accurate this approximation is for cases where multiple scatter is significant, raising the specific questions: 'How important double scatter correction is, and how accurately do we simulate the total scatter events by appropriate scaling?' This project aims to clarify the improvements in terms of quantification due to scatter correction, using: (i) single scatter events only, (ii) single and double scatter events, (iii) total scatter events, or (iv) scaled single scatter, and evaluate the analytic scatter estimation algorithm as implemented in the open source reconstruction software STIR. The analytic SSS scatter estimation implemented in STIR is compared with the SimSET Monte Carlo package. Scatter correction accuracy is examined for different levels of scattering and scaling approaches. A large anthropomorphic phantom was reconstructed with FBP. The images have been compared quantitatively: Areas with high scatter fraction are compared with single scatter corrected images and show a 50% bias reduction after performing single and double scatter correction. Scaled single scatter correction results are in good agreement with SimSET true events, less than 10% difference. Total-fit and tail-fit scaled single scatter results in approximately equal mean values. SSS correction with tail-fit scaling in STIR is very close with SimSET true events, 10% difference. The results show that multiple scatter correction improves accuracy and scaling single scatter is an efficient method to compensate for multiple scattering for standard PET scanning acquisitions.
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.
Light scattering by small feldspar particles simulated using the Gaussian random sphere geometry
Veihelmann, B.; Nousiainen, T.; Kahnert, M.; Zande, W.J. van der
2006-01-01
The single-scattering properties of Gaussian random spheres are calculated using the discrete dipole approximation. The ensemble of model particles is assumed to be representative for a feldspar dust sample that is characteristic for weakly absorbing irregularly shaped mineral aerosol. The
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...... dose used and the natural dose. However, the sensitivity changes appear only weakly dependent upon added dose, suggesting that the SARA single aliquot technique may be a suitable method to overcome the sensitivity changes. (C) 1997 Elsevier Science Ltd....
Marshak, Alexander; Knyazikhin, Yuri; Chiu, J. Christine; Wiscombe, Warren J.
2012-01-01
The single scattering albedo omega(sub O lambda) in atmospheric radiative transfer is the ratio of the scattering coefficient to the extinction coefficient. For cloud water droplets both the scattering and absorption coefficients, thus the single scattering albedo, are functions of wavelength lambda and droplet size r. This note shows that for water droplets at weakly absorbing wavelengths, the ratio omega(sub O lambda)(r)/omega(sub O lambda)(r (sub O)) of two single scattering albedo spectra is a linear function of omega(sub O lambda)(r). The slope and intercept of the linear function are wavelength independent and sum to unity. This relationship allows for a representation of any single scattering albedo spectrum omega(sub O lambda)(r) via one known spectrum omega(sub O lambda)(r (sub O)). We provide a simple physical explanation of the discovered relationship. Similar linear relationships were found for the single scattering albedo spectra of non-spherical ice crystals.
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.
Simulation on scattering features of biological tissue based on generated refractive-index model
Energy Technology Data Exchange (ETDEWEB)
Wang Baoyong; Ding Zhihua, E-mail: zh_ding@zju.edu.cn [State Key Lab of Modern Optical Instrumentation, Zhejiang University 38 Zheda Rd., Hangzhou 310027 (China)
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{sup [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{sup [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.
Fathima, Adeeba; Sujatha, N.
2016-04-01
Quantitative Mueller polarimetry optically characterizes a medium and is reflected upon by the ultrastructural changes in it. Tissue morphology changes occur during advent of diseases like cancer neoplasia. This alters the Mueller matrix characterizing the tissue as an optical element. The nucleus size undergoes an approximate doubling during the development of cancer. Cell crowding during cancer increases the number density of the nuclei per unit volume. Modeling the cell nuclei as main scattering centers, a systematic computational study on how Mueller matrix elements vary for an increase in scatterer size and number density is performed. Simulation on polarized light transport of wavelength 633nm through a slab of size 3 mm comprising of spherical scatterers in a medium of refractive index 1.33 is carried out. Light propagation is modeled using Monte Carlo method and meridian plane method is adopted for tracking the polarization state change. The stokes vector of the outgoing light is tracked to calculate the Mueller matrix images of the light backscattered from the slab. The Mueller matrix elements as well as depolarization factors are derived. The depolarization index increases with scatterer size. Along with nucleus size, change in the cell number density is also expected in the different stages of the cancer growth. Volume fraction of the scatterers in medium is varied as an indicator of this number density change. Behavior of Mueller matrix with respect to change in scattering coefficient due to variation in scatterer size and volume fraction is studied. It is observed that the depolarization index derived from Mueller matrix has selective discrimination towards the change in scattering coefficient caused due to size change and volume fraction change respectively.
Energy Technology Data Exchange (ETDEWEB)
Deloar, Hossain M [Department of Investigative Radiology, National Cardiovascular Center Research Institute, 5-7-1 Fujishirodai, Suita, Osaka, 565-8565 (Japan); Watabe, Hiroshi [Department of Investigative Radiology, National Cardiovascular Center Research Institute, 5-7-1 Fujishirodai, Suita, Osaka, 565-8565 (Japan); Aoi, Toshiyuki [Department of Investigative Radiology, National Cardiovascular Center Research Institute, 5-7-1 Fujishirodai, Suita, Osaka, 565-8565 (Japan); Iida, Hidehiro [Department of Investigative Radiology, National Cardiovascular Center Research Institute, 5-7-1 Fujishirodai, Suita, Osaka, 565-8565 (Japan)
2003-04-21
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 {sup 201}Tl, {sup 99m}Tc, {sup 123}I and {sup 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 {sup 131}I, {sup 123}I and {sup 99m}Tc, respectively. For a 2 mm aperture, these values were 65% for {sup 131}I, 16% for {sup 123}I and 12% for {sup 99m}Tc. For all pinholes, {sup 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 {sup 201}Tl, {sup 99m}Tc, {sup 123}I and {sup 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 {sup 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 {sup 201}Tl.
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.
Energy Technology Data Exchange (ETDEWEB)
Pan, Jianjun [University of South Florida, Tampa (USF); Cheng, Xiaolin [ORNL; Monticelli, Luca [Institut National de la Santé et de la Recherche Médicale (INSERM) and INTS, France; Heberle, Frederick A [ORNL; Kucerka, Norbert [Atomic Energy of Canada Limited (AECL), Canadian Neutron Beam Centre (CNBC) and Comenius University,; Tieleman, D. Peter [University of Calgary, ALberta, Canada; Katsaras, John [ORNL
2014-01-01
Phosphatidylserine (PS) lipids play essential roles in biological processes, including enzyme activation and apoptosis. We report on the molecular structure and atomic scale interactions of a fluid bilayer composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylserine (POPS). A scattering density profile model, aided by molecular dynamics (MD) simulations, was developed to jointly refine different contrast small-angle neutron and X-ray scattering data, which yielded a lipid area of 62.7 A2 at 25 C. MD simulations with POPS lipid area constrained at different values were also performed using all-atom and aliphatic united-atom models. The optimal simulated bilayer was obtained using a model-free comparison approach. Examination of the simulated bilayer, which agrees best with the experimental scattering data, reveals a preferential interaction between Na+ ions and the terminal serine and phosphate moieties. Long-range inter-lipid interactions were identified, primarily between the positively charged ammonium, and the negatively charged carboxylic and phosphate oxygens. The area compressibility modulus KA of the POPS bilayer was derived by quantifying lipid area as a function of surface tension from area-constrained MD simulations. It was found that POPS bilayers possess a much larger KA than that of neutral phosphatidylcholine lipid bilayers. We propose that the unique molecular features of POPS bilayers may play an important role in certain physiological functions.
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.
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
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.
Seasonal Trend of Aerosol Single Scattering Albedo at Biomass Burning Sites in Southern Africa
Eck, T. F.; Holben, B. N.; Reid, J. S.; Ward, D.; Mukelabai, M. M.; Piketh, S.; Hyer, E. J.; Dubovik, O.; Sinyuk, A.; Schafer, J. S.; Giles, D. M.; Smirnov, A.; Slutsker, I.
2011-12-01
A database of the optical properties of primarily biomass burning aerosols in Mongu, Zambia from multi-year monitoring at an AERONET sun-sky radiometer site was examined. For the biomass burning season months (July-November), we investigate the aerosol single scattering albedo (SSA), aerosol size distributions, and refractive indices from almucantar sky scan retrievals utilizing the algorithm of Dubovik and King (2000). The monthly mean single scattering albedo at 440 nm in Mongu was found to increase significantly from ~0.84 in July to ~0.93 in November (from 0.78 to 0.90 at 675 nm in these same months). There was no significant change in particle size, in either the dominant accumulation or secondary coarse modes during these months, nor any significant trend in the Angstrom Exponent (440-870 nm; r2=0.02). A significant downward seasonal trend in imaginary refractive index (r2=0.43) suggests a trend of decreasing black carbon content in the aerosol composition as the burning season progresses. Similarly, seasonal SSA retrievals for both the Etosha Pan, Namibia and Skukuza, South Africa AERONET sites also show increasing single scattering albedo values through the burning season. We show maps of satellite detected fire counts, which indicate that the regions of primary biomass burning in southern Africa shift significantly from July to October. Possible reasons for the seasonal changes in observed SSA include differences in biomass fuel types in different regions and seasons (fraction of woody biomass versus grasses), agricultural practices (Chitemene: in which woody fuels are burned at the end of the dry season), differences in fuel moisture content (as mid-October is the typical beginning of the rainy season) and differences in aging due to transport speed and distance from varying source regions. We also analyze the seasonality of SSA for sites in biomass burning regions of southern Amazonia, where no significant seasonal trend in SSA was detected.
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...
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.
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.
Duboué-Dijon, Elise; Mason, Philip E.; Fischer, Henry E.; Jungwirth, Pavel
2017-05-01
The imidazole motif is widely encountered in biomolecules, and its biological role, for instance, as a proton relay, is often linked to its ability to form hydrogen bonds with water molecules. The detailed characterization of the hydration pattern of imidazole and of its changes upon protonation is thus of high interest. Here, we combine neutron scattering experiments with force field simulations to provide an unprecedented characterization of the neutral and protonated imidazole solvation at the atomistic level. We show that neutron diffraction data can be used to assess the quality of the imidazole force field in molecular simulations. Simulations using the CHARMM general force field for imidazole are in excellent agreement with the experimental neutron scattering data and we use them to provide an atomic scale interpretation of the neutron scattering patterns. Upon protonation, we clearly identify the signature of the reorganization in the hydration pattern caused by the change from one H-bond donor and one H-bond acceptor group for imidazole to two H-bond donor groups for imidazolium. We also point the limits of the experiment, which are rather insensitive to details of the H-bond geometry at the deprotonated nitrogen of imidazole and further complement the description of the hydration structure with ab initio molecular dynamics simulations.
Levasseur-Regourd, A. C.; Hadamcik, E.; Lasue, J.; Renard, J. B.
Investigating surface and subsurface physical properties of small bodies from light scattering observations and simulations A.C. Levasseur-Regourd (1), E. Hadamcik (1), J. Lasue (1), J.B. Renard (2) (1) Université Pierre et Marie Curie-Paris6, UMR 7620, Aéronomie, BP-3, Verrières, 91371 France, (2) LPCE-CNRS, 3A av. Recherche Scientifique, Orléans, F-45071 France Investigating surface and subsurface physical properties of asteroids and comet nuclei is of major interest to i) assess future space missions and ii) constrain formation and evolution models. Our purpose is to infer such properties from the properties of solar light scattered by such media. We will first summarize recent remote polarimetric observations of small bodies, which confirm the main characteristics of the variation of the linear polarization of solar scattered light in the visible domain with the scattering geometry and the wavelength (1). To interpret such characteristics in terms of physical properties of the regoliths (e.g. albedo, size distribution, complex refractive index, porosity), experimental and numerical simulations on various types of particles and aggregates are mandatory, together with some comparisons between experimental and numerical simulations (2,3). We will thus present recent results of such simulations (for dust around bright comets, for core-mantle particles, for loose deposited transparent and dark materials), and point out the trends already suggested by this approach. Finally, we will mention future key observations and elaborate simulations, which could solve open questions about surface and subsurface properties of small bodies. References 1. Levasseur-Regourd et al., ASR 37, 161, 2006. 2. Hadamcik et al., JQSRT 100, 143, 2006. 3. Lasue et al., JQSRT 100, 220, 2006.
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)
Persistent Scatterer Aided Facade Lattice Extraction in Single Airborne Optical Oblique Images
Schack, L.; Soergel, U.; Heipke, C.
2015-03-01
We present a new method to extract patterns of regular facade structures from single optical oblique images. To overcome the missing three-dimensional information we incorporate structural information derived from Persistent Scatter (PS) point cloud data into our method. Single oblique images and PS point clouds have never been combined before and offer promising insights into the compatibility of remotely sensed data of different kinds. Even though the appearance of facades is significantly different, many characteristics of the prominent patterns can be seen in both types of data and can be transferred across the sensor domains. To justify the extraction based on regular facade patterns we show that regular facades appear rather often in typical airborne oblique imagery of urban scenes. The extraction of regular patterns is based on well established tools like cross correlation and is extended by incorporating a module for estimating a window lattice model using a genetic algorithm. Among others the results of our approach can be used to derive a deeper understanding of the emergence of Persistent Scatterers and their fusion with optical imagery. To demonstrate the applicability of the approach we present a concept for data fusion aiming at facade lattices extraction in PS and optical data.
Investigation of snow single scattering properties based on first order Legendre phase function
Eppanapelli, Lavan Kumar; Casselgren, Johan; Wåhlin, Johan; Sjödahl, Mikael
2017-04-01
Angularly resolved bidirectional reflectance measurements were modelled by approximating a first order Legendre expanded phase function to retrieve single scattering properties of snow. The measurements from 10 different snow types with known density and specific surface area (SSA) were investigated. A near infrared (NIR) spectrometer was used to measure reflected light above the snow surface over the hemisphere in the wavelength region of 900-1650 nm. A solver based on discrete ordinate radiative transfer (DISORT) model was used to retrieve the estimated Legendre coefficients of the phase function and a correlation between the coefficients and physical properties of different snow types is investigated. Results of this study suggest that the first two coefficients of the first order Legendre phase function provide sufficient information about the physical properties of snow where the latter captures the anisotropic behaviour of snow and the former provides a relative estimate of the single scattering albedo of snow. The coefficients of the first order phase function were compared with the experimental data and observed that both the coefficients are in good agreement with the experimental data. These findings suggest that our approach can be applied as a qualitative tool to investigate physical properties of snow and also to classify different snow types.
Simulation model to analyze the scatter radiation effects on breast cancer diagnosis by CAD system
Irita, Ricardo T.; Frere, Annie F.; Fujita, Hiroshi
2002-05-01
One of factors that more affect the radiographic image quality is the scatter radiation produced by interaction between the x-ray and the radiographed object. Recently the Computer Aided Diagnosis (CAD) Systems are coming to aid the detection of breast small details. Nevertheless, we not sure how much the scatter radiation decrease the efficiency of this systems. This work presents a model in order to quantify the scatter radiation and find it relation between CAD's results used for the microcalcification detection. We simulated scatter photons that reaches the film and we added it to the mammography image. The new images were processed and the alterations of the CAD's results were analyzed. The information loss to breast composed by 80 percent adipose tissue was 0,0561 per each centimeter increased in the breast's thickness. We calculated these same data considering a proportion variation of adipose tissue and considering the breast composition of 90 percent and 70 percent the loss it would be of 0.0504 and 0.07559 per increased cm, respectively. We can increase the wanted scattered radiation to any image with its own characteristics and analyze the disturbances that it can bring to the visual inspection or the automatic detection (CAD system) efficiently.
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.
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.
Self-Assembly of Pluronic Block Copolymers in Solutions: Simulation and Neutron Scattering
Zhang, Zhe; Hong, Kunlun; Do, Changwoo; Biology and Soft-Matter Division, Oak Ridge National Laboratory Team; Chemical Science Division, Oak Ridge National Laboratory Team
2014-03-01
Poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (PEO-PPO-PEO) triblock copolymers in water solution display various phase behaviors such as micellar, lamellar, and hexagonal phases and have been of great interest to researchers for their wide range of applications including templates of various nanostructures in solar cell and transportation of nanoparticles in drug delivery. In this study, we combined density functional theory-based mesoscale simulation and small-angle neutron scattering (SANS) experiments to investigate equilibrium structures of L62/water systems at different concentrations. Various simulation parameters found in the literature have been revisited with the experimental findings. Scattering experiments were found to be an excellent. This research is supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Energy Division.
Chen, Ye; Liu, Jonathan T C
2013-06-01
Dual-axis confocal (DAC) microscopy has been found to exhibit superior rejection of out-of-focus and multiply scattered background light compared to conventional single-axis confocal microscopy. DAC microscopes rely on the use of separated illumination and collection beam paths that focus and intersect at a single focal volume (voxel) within tissue. While it is generally recognized that the resolution and contrast of a DAC microscope depends on both the crossing angle of the DAC beams, 2θ, and the focusing numerical aperture of the individual beams, α, a detailed study to investigate these dependencies has not been performed. Contrast and resolution are considered as two main criteria to assess the performance of a point-scanned DAC microscope (DAC-PS) and a line-scanned DAC microscope (DAC-LS) as a function of θ and α. The contrast and resolution of these designs are evaluated by Monte-Carlo scattering simulations and diffraction theory calculations, respectively. These results can be used for guiding the optimal designs of DAC-PS and DAC-LS microscopes.
Physical properties of cometary dust, as derived from light scattering observations and simulations
Levasseur-Regourd, A. C.; Hadamcik, E.; Lasue, J.; Renard, J. B.
Physical properties of cometary dust, as derived from light scattering observations and simulations A.C. Levasseur-Regourd (1), E. Hadamcik (1), J. Lasue (1), J.B. Renard (2) (1) Université Pierre et Marie Curie-Paris6, UMR 7620, Aéronomie, BP-3, Verrières, 91371 France, (2) LPCE-CNRS, 3A av. Recherche Scientifique, Orléans, F-45071 France Physical properties of dust released from comets nuclei can be inferred from observations of solar light scattered by cometary comae. We will first summarize the main trends noticed in the polarimetric properties of dust comae, with emphasis on recent observations of 9P/Tempel 1 and 73P/Schwassmann 3. We will then compare them to the polarimetric properties of tentatively realistic cometary particles analogues, as deduced from experimental simulations on levitating particles. We will finally present results from light scattering numerical simulations (with core- mantle spheroids and fractal aggregates, with appropriate size distributions), and infer some key physical parameters (e.g. size distribution, albedo) retrieved for comet Hale-Bopp and for other active comets. The significance of these parameters will be discussed in terms of origin and evolution of cometary dust.
Nonlinear kinetic modeling and simulations of Raman scattering in a two-dimensional geometry
Directory of Open Access Journals (Sweden)
Bénisti Didier
2013-11-01
Full Text Available In this paper, we present our nonlinear kinetic modeling of stimulated Raman scattering (SRS by the means of envelope equations, whose coefficients have been derived using a mixture of perturbative and adiabatic calculations. First examples of the numerical resolution of these envelope equations in a two-dimensional homogeneous plasma are given, and the results are compared against those of particle-in-cell (PIC simulations. These preliminary comparisons are encouraging since our envelope code provides threshold intensities consistent with those of PIC simulations while requiring computational resources reduced by 4 to 5 orders of magnitude compared to full-kinetic codes.
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.
Simulated scatter performance of an inverse-geometry dedicated breast CT system.
Bhagtani, Reema; Schmidt, Taly Gilat
2009-03-01
The purpose of this work was to quantify the effects of scatter for inverse-geometry dedicated breast CT compared to cone-beam breast CT through simulations. The inverse geometry was previously proposed as an alternative to cone-beam acquisition for volumetric CT. The inverse geometry consists of a large-area scanned-source opposite a detector array that is smaller in the transverse direction. While the gantry rotates, the x-ray beam is rapidly sequenced through an array of positions, acquiring a truncated projection image at each position. Inverse-geometry CT (IGCT) is expected to detect less scatter than cone-beam methods because only a fraction of the object is irradiated at any time and the fast detector isolates the measurements from sequential x-ray beams. An additional scatter benefit is the increased air gap due to the inverted geometry. In this study, we modeled inverse-geometry and cone-beam dedicated breast CT systems of equivalent resolution, field of view, and photon fluence. Monte Carlo simulations generated scatter and primary projections of three cylindrical phantoms of diameters 10, 14, and 18 cm composed of 50% adipose/50% glandular tissue. The scatter-to-primary ratio (SPR) was calculated for each breast diameter. Monte Carlo simulations were combined with analytical simulations to generate inverse-geometry and cone-beam images of breast phantoms embedded with tumors. Noise reprehenting the photon fluence of a realistic breast CT scan was added to the simulated projections. Cone-beam data were reconstructed with and without an ideal scatter correction. The CNR between breast tumor and background was compared for the inverse and cone-beam geometries for the three phantom diameters. Results demonstrated an order of magnitude reduction in SPR for the IGCT system compared to the cone-beam system. For example, the peak IGCT SPRs were 0.05 and 0.09 for the 14 and 18 cm phantoms, respectively, compared to 0.42 and 1 for the cone-beam system. For both
International Nuclear Information System (INIS)
Bizzarri, Anna Rita
2004-01-01
The neutron scattering technique is a relevant tool for studying the dynamical properties of electron transfer proteins. Macromolecular motions ranging in wide temporal and spatial windows can be investigated by separately analysing elastic, inelastic and quasielastic incoherent neutron scattering. The dynamical behaviour of the solvent surrounding a macromolecule can also be analysed. Neutron scattering is particularly rewarding when used in combination with molecular dynamics simulations. From the simulated atomic trajectories, physical quantities directly related to the neutron scattering technique can be calculated and compared with the corresponding experimental data. This article briefly introduces both the neutron scattering and molecular dynamics simulation methods applied to proteins, and reviews the biophysical studies of some electron transfer proteins. Both experimental and molecular dynamics results for these proteins and the surrounding solvent are also discussed in connection with their electron transfer properties. Possible developments are briefly outlined. (topical review)
Nowell, H.; Liu, G.
2012-12-01
With the advent of satellites, we can now observe areas of the globe that have sparse to no ground data coverage. Both active and passive satellite sensors aboard satellites including CloudSat's Cloud Profiling Radar (CPR), Aqua's Advanced Microwave Scanning Radiometer (AMSR-E) and the upcoming Global Precipitation Measurement's (GPM) Dual-Frequency Precipitation Radar (DPR) and GPM Microwave Imager (GMI) study ice and snow particles. A good retrieval algorithm for these satellite sensors can only be developed when the single scattering properties of the snowflakes are accurately calculated in radiative transfer models. This becomes crucial at frequencies at and above the W-band when aggregate ice crystals become detectable by satellite radiometers. Snowflakes are often modeled as spheres or oblate spheroids to ease the complexity of calculations, despite the fact that they are typically aggregates of crystals. For improved accuracy in satellite remote sensing, it is important to model snowflakes as close to nature as possible. Several recent studies model flakes as pristine crystal types [Liu, 2008], generate aggregate flakes as fractals [Ishimoto, 2008] or via the Monte Carlo method [Maruyama and Fujioshi, 2005]. Modeling snowflakes as pristine crystals, however, has the drawback of not accurately reflecting snowflakes as most tend to be aggregates of different crystal types. Other studies where aggregates are generated tend to overlook size-density relationships of aggregate flakes or other studied statistical parameters such as aspect ratio. In an effort to improve available single-scattering properties of aggregate flakes, we developed a new method of generating flakes. Starting out with a six-bullet rosette crystal of accurate size and density, aggregate flakes are generated with two different bullet rosette crystal sizes of 200 and/or 400 microns in maximum dimension. The flakes similarly follow size-density relationships of aggregate as determined from
Gontrani, Lorenzo; Russina, Olga; Celso, Fabrizio Lo; Caminiti, Ruggero; Annat, Gary; Triolo, Alessandro
2009-07-09
We report on an experimental and simulation study done on a representative room temperature ionic liquid, namely tetradecyltrihexylphosphonium chloride, at ambient conditions. The study was conducted using small and wide angle X-ray scattering and molecular dynamics simulations. Both approaches converge in indicating that this material is characterized by the existence of strong P-Cl interactions (with characteristic distances between 3.5 and 5.0 A) and by the occurrence of nanoscale segregation, despite the symmetric nature of the cation and similarly to other room temperature ionic liquids. A good agreement is found between the structure factor and pair correlation functions obtained from MD simulations and the corresponding experimental observables, thus strongly validating the interaction potential used in the simulations.
Photon scattering by isolated isotopic impurities in single crystals of helium
International Nuclear Information System (INIS)
Lawson, D.T.
1972-01-01
Thermal conductivity measurements of oriented single crystals of hexagonal close-packed 4 He have been made in order to study the scattering of phonons by isotopic impurities. The samples, all grown at a constant pressure of 85.1 atmospheres, contained 3 He concentrations ranging from less than 10 - 6 to 2 x 10 - 5 . Apparatus and techniques have been developed which allow the growth of crystals at preferred orientations: c-axis orientations of 0 and 90 0 with respect to the direction of heat flow were chosen for this study. Quality and orientation of the sample crystals were determined from the thermal conductivity measurements themselves. In the 90 0 crystals an isotopic concentration of 2 x 10 - 5 reduces the thermal conductivity peak by a factor of 2.8. A model using the dominant phonon approximation to define an average isotope cross section for phonon scattering fits these data well. The cross section thus obtained is larger than can be explained by scattering from the mass defect alone, and provides a measure of the lattice distortion accompanying an isotopic substitution. Relevant theories are examined in the light of these results. The data for 0 0 crystals are consistent with the same cross section if samples displaying the same effective phonon mean free path in the low temperature limit are compared. Variations in this limiting mean free path are attributed to specular reflection of phonons at the sample chamber walls. At the lowest 3 He concentrations Poiseuille flow of phonons causes a peak in the effective mean free path a factor of 4.6 higher than the low temperature limit
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
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
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.
Resonant anti-Stokes Raman scattering in single-walled carbon nanotubes
Gordeev, Georgy; Jorio, Ado; Kusch, Patryk; Vieira, Bruno G. M.; Flavel, Benjamin; Krupke, Ralph; Barros, Eduardo B.; Reich, Stephanie
2017-12-01
The dependence of the anti-Stokes Raman intensity on the excitation laser energy in carbon nanotubes is studied by resonant Raman spectroscopy. The complete resonant anti-Stokes and Stokes Raman profiles of the high-energy longitudinal phonon (G+) are obtained for (8,3), (7,5), (6,4), and (6,5) single chirality enriched samples. A high asymmetry between the intensity of the incoming and outgoing resonance is observed in the resonant Raman profiles. In contrast to Stokes scattering, anti-Stokes scattering is more intense at the outgoing resonance then at the incoming resonance. The resonance profiles are explained by a Raman process that includes the phonon-mediated interactions with the dark excitonic state. The chirality dependence of the Raman profiles is due to the variation in the exciton-phonon matrix elements, in agreement with tight-binding calculations. Based on the asymmetric Raman profiles we present the resonance factors for the Stokes/anti-Stokes ratios in carbon nanotubes.
Using Single-Scattering Albedo Spectral Curvature to Characterize East Asian Aerosol Mixtures
Li, Jing; Carlson, Barbara E.; Lacis, Andrew A.
2015-01-01
Spectral dependence of aerosol single-scattering albedo (SSA) has been used to infer aerosol composition. In particular, aerosol mixtures dominated by dust absorption will have monotonically increasing SSA with wavelength while that dominated by black carbon absorption has monotonically decreasing SSA spectra. However, by analyzing SSA measured at four wavelengths, 440, 675, 870, and 1020 nm from the Aerosol Robotic Network data set, we find that the SSA spectra over East Asia are frequently peaked at 675 nm. In these cases, we suggest that SSA spectral curvature, defined as the negative of the second derivative of SSA as a function of wavelength, can provide additional information on the composition of these aerosol mixtures. Aerosol SSA spectral curvatures for East Asia during fall and winter are considerably larger than those found in places primarily dominated by biomass burning or dust aerosols. SSA curvature is found to increase as the SSA magnitude decreases. The curvature increases with coarse mode fraction (CMF) to a CMF value of about 0.4, then slightly decreases or remains constant at larger CMF. Mie calculations further verify that the strongest SSA curvature occurs at approx. 40% dust fraction, with 10% scattering aerosol fraction. The nonmonotonic SSA spectral dependence is likely associated with enhanced absorption in the shortwave by dust, absorption by black carbon at longer wavelengths, and also the flattened absorption optical depth spectral dependence due to the increased particle size.
Four-jet production in single- and double-parton scattering within high-energy factorization
Energy Technology Data Exchange (ETDEWEB)
Kutak, Krzysztof; Maciula, Rafal; Serino, Mirko [The H. Niewodniczański Institute of Nuclear Physics, Polish Academy of Sciences,Radzikowskiego 152, 31-342 Kraków (Poland); Szczurek, Antoni [The H. Niewodniczański Institute of Nuclear Physics, Polish Academy of Sciences,Radzikowskiego 152, 31-342 Kraków (Poland); Faculty of Mathematics and Natural Sciences, University of Rzeszów,ul. Pigonia 1, 35-310 Rzeszów (Poland); Hameren, Andreas van [The H. Niewodniczański Institute of Nuclear Physics, Polish Academy of Sciences,Radzikowskiego 152, 31-342 Kraków (Poland)
2016-04-28
We perform a first study of 4-jet production in a complete high-energy factorization (HEF) framework. We include and discuss contributions from both single-parton scattering (SPS) and double-parton scattering (DPS). The calculations are performed for kinematical situations relevant for two experimental measurements (ATLAS and CMS) at the LHC. We compare our results to those reported by the ATLAS and CMS collaborations for different sets of kinematical cuts. The results of the HEF approach are compared with their counterparts for collinear factorization. For symmetric cuts the DPS HEF result is considerably smaller than the one obtained with collinear factorization. The mechanism leading to this difference is of kinematical nature. We conclude that an analysis of inclusive 4-jet production with asymmetric p{sub T}-cuts below 50 GeV would be useful to enhance the DPS contribution relative to the SPS contribution. In contrast to the collinear approach, the HEF approach nicely describes the distribution of the ΔS variable, which involves all four jets and their angular correlations.
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.)
Potenza, M A C; Krpetić, Ž; Sanvito, T; Cai, Q; Monopoli, M; de Araújo, J M; Cella, C; Boselli, L; Castagnola, V; Milani, P; Dawson, K A
2017-02-23
The shape and size of nanoparticles are important parameters affecting their biodistribution, bioactivity, and toxicity. The high-throughput characterisation of the nanoparticle shape in dispersion is a fundamental prerequisite for realistic in vitro and in vivo evaluation, however, with routinely available bench-top optical characterisation techniques, it remains a challenging task. Herein, we demonstrate the efficacy of a single particle extinction and scattering (SPES) technique for the in situ detection of the shape of nanoparticles in dispersion, applied to a small library of anisotropic gold particles, with a potential development for in-line detection. The use of SPES paves the way to the routine quantitative analysis of nanoparticles dispersed in biologically relevant fluids, which is of importance for the nanosafety assessment and any in vitro and in vivo administration of nanomaterials.
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.
Finkelstein, N.; Gambogi, J.; Lempert, Walter R.; Miles, Richard B.; Rines, G. A.; Finch, A.; Schwarz, R. A.
1995-01-01
We present the development of a flexible, high power, narrow line width, tunable ultraviolet source for diagnostic application. By frequency tripling the output of a pulsed titanium-sapphire laser, we achieve broadly tunable (227-360 nm) ultraviolet light with high quality spatial and spectral resolution. We also present the characterization of a mercury vapor cell which provides a narrow band, sharp edge absorption filter at 253.7 nm. These two components form the basis for the extension of the Filtered Rayleigh Scattering technique into the ultraviolet. The UV-FRS system is comprised of four pieces: a single frequency, cw tunable Ti:Sapphire seeding source; a high-powered pulsed Ti:Sapphire oscillator; a third harmonic generator system; and an atomic mercury vapor filter. In this paper we discuss the development and characterization of each of these elements.
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.
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.
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.
Garg, Sumit; Castro-Roman, Francisco; Porcar, Lionel; Butler, Paul; Bautista, Pedro Jesus; Krzyzanowski, Natalie; Perez-Salas, Ursula
2014-12-14
The solubility limits of cholesterol in small unilamellar vesicles made of POPS and POPC were probed using Small Angle Neutron Scattering (SANS) and coarse grained (CG) molecular dynamics (MD) simulations. SANS, being non-invasive, allowed the direct and quantitative measurement of cholesterol in intact vesicles. Our experimental measurements reveal a 61% mole fraction solubility limit of cholesterol in POPC, consistent with previous studies. However, in POPS the solubility limit of cholesterol is found to be 73% mole fraction. Previous work reports solubility limits of cholesterol in POPS varying significantly, ranging from 36% up to 66%. The CG MD simulations are in remarkable quantitative agreement with our experimental results showing similar solubility limits. Further, neither experiments nor simulations show evidence of stable nanodomains of cholesterol in POPS membranes as suggested in some previous reports.
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.
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
Hart, Vern P; Doyle, Timothy E
2013-09-01
A Monte Carlo method was derived from the optical scattering properties of spheroidal particles and used for modeling diffuse photon migration in biological tissue. The spheroidal scattering solution used a separation of variables approach and numerical calculation of the light intensity as a function of the scattering angle. A Monte Carlo algorithm was then developed which utilized the scattering solution to determine successive photon trajectories in a three-dimensional simulation of optical diffusion and resultant scattering intensities in virtual tissue. Monte Carlo simulations using isotropic randomization, Henyey-Greenstein phase functions, and spherical Mie scattering were additionally developed and used for comparison to the spheroidal method. Intensity profiles extracted from diffusion simulations showed that the four models differed significantly. The depth of scattering extinction varied widely among the four models, with the isotropic, spherical, spheroidal, and phase function models displaying total extinction at depths of 3.62, 2.83, 3.28, and 1.95 cm, respectively. The results suggest that advanced scattering simulations could be used as a diagnostic tool by distinguishing specific cellular structures in the diffused signal. For example, simulations could be used to detect large concentrations of deformed cell nuclei indicative of early stage cancer. The presented technique is proposed to be a more physical description of photon migration than existing phase function methods. This is attributed to the spheroidal structure of highly scattering mitochondria and elongation of the cell nucleus, which occurs in the initial phases of certain cancers. The potential applications of the model and its importance to diffusive imaging techniques are discussed.
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
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.
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.
Transport in two-dimensional scattering stochastic media: Simulations and models
International Nuclear Information System (INIS)
Haran, O.; Shvarts, D.; Thieberger, R.
1999-01-01
Classical monoenergetic transport of neutral particles in a binary, scattering, two-dimensional stochastic media is discussed. The work focuses on the effective representation of the stochastic media, as obtained by averaging over an ensemble of random realizations of the media. Results of transport simulations in two-dimensional stochastic media are presented and compared against results from several models. Problems for which this work is relevant range from transport through cracked or porous concrete shields and transport through boiling coolant of a nuclear reactor, to transport through stochastic stellar atmospheres
Aoun, Bachir; Pellegrini, Eric; Trapp, Marcus; Natali, Francesca; Cantù, Laura; Brocca, Paola; Gerelli, Yuri; Demé, Bruno; Marek Koza, Michael; Johnson, Mark; Peters, Judith
2016-04-01
Neutron scattering techniques have been employed to investigate 1,2-dimyristoyl-sn -glycero-3-phosphocholine (DMPC) membranes in the form of multilamellar vesicles (MLVs) and deposited, stacked multilamellar-bilayers (MLBs), covering transitions from the gel to the liquid phase. Neutron diffraction was used to characterise the samples in terms of transition temperatures, whereas elastic incoherent neutron scattering (EINS) demonstrates that the dynamics on the sub-macromolecular length-scale and pico- to nano-second time-scale are correlated with the structural transitions through a discontinuity in the observed elastic intensities and the derived mean square displacements. Molecular dynamics simulations have been performed in parallel focussing on the length-, time- and temperature-scales of the neutron experiments. They correctly reproduce the structural features of the main gel-liquid phase transition. Particular emphasis is placed on the dynamical amplitudes derived from experiment and simulations. Two methods are used to analyse the experimental data and mean square displacements. They agree within a factor of 2 irrespective of the probed time-scale, i.e. the instrument utilized. Mean square displacements computed from simulations show a comparable level of agreement with the experimental values, albeit, the best match with the two methods varies for the two instruments. Consequently, experiments and simulations together give a consistent picture of the structural and dynamical aspects of the main lipid transition and provide a basis for future, theoretical modelling of dynamics and phase behaviour in membranes. The need for more detailed analytical models is pointed out by the remaining variation of the dynamical amplitudes derived in two different ways from experiments on the one hand and simulations on the other.
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...
The influence of simulated light scattering on automated perimetric threshold measurements.
Heuer, D K; Anderson, D R; Knighton, R W; Feuer, W J; Gressel, M G
1988-09-01
The effect of light scattering by ocular media opacities on OCTOPUS and Humphrey perimeter threshold measurements was simulated with randomly ordered sequences of six ground-glass diffusers in the right eyes of five subjects. Threshold measurements were performed at 0 degrees, 5 degrees, 10 degrees, 15 degrees, 20 degrees, and 25 degrees nasally along the 180 degrees meridian with the F4 program on an OCTOPUS perimeter, and with twice-repeated profiles on a Humphrey perimeter. The reduction in differential light sensitivity correlated well with the 2.7-dB to 16.7-dB reduction in stimulus intensity caused by the 46% to 98% scattering of incident light by the diffusers. Contrast sensitivity in the presence of a glare source (Miller-Nadler glare test) was also affected by the diffusers, such that a 75% contrast target was not visible through the strongest diffuser whereas a 5% contrast target was visible without a diffuser. Conversely, the diffusers had very little effect on visual acuity measurements that were performed with projected high-contrast targets in a darkened room. Our data suggest that even minimal light scattering, such as might be caused by a cataract that has a relatively insignificant effect on visual acuity, may influence threshold measurements.
SPH Simulation of single grain action in grinding
Directory of Open Access Journals (Sweden)
Julean Dănuţ
2017-01-01
Full Text Available The paper presents a study of chip formation in single grain grinding using a convenient FEM formulation, the Smooth Particle Hydrodynamics (SPH method. The chip formation process was geometrically idealized. It was simulated as an inclined linear scratching of a cuboid part. After a systematic study, the results prove that this approach is useful to study the influence of grinding speed, friction conditions and uncut chip thickness on grinding forces, stresses and strains occurring during the grain action.
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...... an extension language that makes it easy to adapt it to the particular requirements of individual instruments, and thus provides a powerful and flexible tool for constructing such simulations. McStas has been successfully applied in such areas as neutron guide design, flux optimization, non-Gaussian resolution...... functions of triple-axis spectrometers, and time-focusing in time-of-flight instruments. (C) 2000 Published by Elsevier Science B.V. All rights reserved....
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
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.
Ouyang, Wei; Mao, Weijian
2018-03-01
An asymptotic quadratic true-amplitude inversion method for isotropic elastic P waves is proposed to invert medium parameters. The multicomponent P-wave scattered wavefield is computed based on a forward relationship using second-order Born approximation and corresponding high-frequency ray theoretical methods. Within the local double scattering mechanism, the P-wave transmission factors are elaborately calculated, which results in the radiation pattern for P-waves scattering being a quadratic combination of the density and Lamé's moduli perturbation parameters. We further express the elastic P-wave scattered wavefield in a form of generalized Radon transform (GRT). After introducing classical backprojection operators, we obtain an approximate solution of the inverse problem by solving a quadratic non-linear system. Numerical tests with synthetic data computed by finite-differences scheme demonstrate that our quadratic inversion can accurately invert perturbation parameters for strong perturbations, compared with the P-wave single-scattering linear inversion method. Although our inversion strategy here is only syncretized with P-wave scattering, it can be extended to invert multicomponent elastic data containing both P-wave and S-wave information.
DEFF Research Database (Denmark)
Hervig, K.W.; Wu, Z.; Dai, P.
1997-01-01
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-m...... coincides with transformation of Some molecules from trans to gauche conformations. Furthermore, if gauche molecules are prevented from forming in the simulation, the calculated incoherent scattering function contains no quasielastic component below T-m. Modeling of both the neutron and simulated hexane......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...
Huang, Bin; Yan, Shuai; Xiao, Lin; Ji, Rong; Yang, Liuyan; Miao, Ai-Jun; Wang, Ping
2018-03-01
Imaging and quantification of nanoparticles in single cells in their most natural condition are expected to facilitate the biotechnological applications of nanoparticles and allow for better assessment of their biosafety risks. However, current imaging modalities either require tedious sample preparation or only apply to nanoparticles with specific physicochemical characteristics. Here, the emerging hyperspectral stimulated Raman scattering (SRS) microscopy, as a label-free and nondestructive imaging method, is used for the first time to investigate the subcellular distribution of nanoparticles in the protozoan Tetrahymena thermophila. The two frequently studied nanoparticles, polyacrylate-coated α-Fe 2 O 3 and TiO 2 , are found to have different subcellular distribution pattern as a result of their dissimilar uptake routes. Significant uptake competition between these two types of nanoparticles is further discovered, which should be paid attention to in future bioapplications of nanoparticles. Overall, this study illustrates the great promise of hyperspectral SRS as an analytical imaging tool in nanobiotechnology and nanotoxicology. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Directory of Open Access Journals (Sweden)
Y. Sakai
2017-06-01
Full Text Available Inverse Compton scattering (ICS is a unique mechanism for producing fast pulses—picosecond and below—of bright photons, ranging from x to γ rays. These nominally narrow spectral bandwidth electromagnetic radiation pulses are efficiently produced in the interaction between intense, well-focused electron and laser beams. The spectral characteristics of such sources are affected by many experimental parameters, with intense laser effects often dominant. A laser field capable of inducing relativistic oscillatory motion may give rise to harmonic generation and, importantly for the present work, nonlinear redshifting, both of which dilute the spectral brightness of the radiation. As the applications enabled by this source often depend sensitively on its spectra, it is critical to resolve the details of the wavelength and angular distribution obtained from ICS collisions. With this motivation, we present an experimental study that greatly improves on previous spectral measurement methods based on x-ray K-edge filters, by implementing a multilayer bent-crystal x-ray spectrometer. In tandem with a collimating slit, this method reveals a projection of the double differential angular-wavelength spectrum of the ICS radiation in a single shot. The measurements enabled by this diagnostic illustrate the combined off-axis and nonlinear-field-induced redshifting in the ICS emission process. The spectra obtained illustrate in detail the strength of the normalized laser vector potential, and provide a nondestructive measure of the temporal and spatial electron-laser beam overlap.
Trunk, M; Lübben, J F; Popp, J; Schrader, B; Kiefer, W
1997-05-20
Light-scattering measurements of optically levitated microdroplets containing three components, glycerin, water, and ammonium sulfate, are presented. Evaporation of the microdroplet is studied by means of morphology-dependent resonances observed in both Raman spectra as well as elastically scattered light and by the simultaneous measurement of the laser power. The phase transition from the liquid to the solid state of ammonium sulfate inside the microdroplet is observed by means of morphology-dependent resonances and Raman scattering.
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...
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.
Geilhufe, Matthias; Achilles, Steven; Köbis, Markus Arthur; Arnold, Martin; Mertig, Ingrid; Hergert, Wolfram; Ernst, Arthur
2015-11-01
For a reliable fully-relativistic Korringa-Kohn-Rostoker Green function method, an accurate solution of the underlying single-site scattering problem is necessary. We present an extensive discussion on numerical solutions of the related differential equations by means of standard methods for a direct solution and by means of integral equations. Our implementation is tested and exemplarily demonstrated for a spherically symmetric treatment of a Coulomb potential and for a Mathieu potential to cover the full-potential implementation. For the Coulomb potential we include an analytic discussion of the asymptotic behaviour of irregular scattering solutions close to the origin (r\\ll 1 ).
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
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
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
Hudson, Matthew R; Allis, Damian G; Hudson, Bruce S
2010-03-18
The incoherent inelastic neutron scattering spectrum of parabanic acid was measured and simulated using solid-state density functional theory (DFT). This molecule was previously the subject of low-temperature X-ray and neutron diffraction studies. While the simulated spectra from several density functionals account for relative intensities and factor group splitting regardless of functional choice, the hydrogen-bending vibrational energies for the out-of-plane modes are poorly described by all methods. The disagreement between calculated and observed out-of-plane hydrogen bending mode energies is examined along with geometry optimization differences of bond lengths, bond angles, and hydrogen-bonding interactions for different functionals. Neutron diffraction suggests nearly symmetric hydrogen atom positions in the crystalline solid for both heavy-atom and N-H bond distances but different hydrogen-bonding angles. The spectroscopic results suggest a significant factor group splitting for the out-of-plane bending motions associated with the hydrogen atoms (N-H) for both the symmetric and asymmetric bending modes, as is also supported by DFT simulations. The differences between the quality of the crystallographic and spectroscopic simulations by isolated-molecule DFT, cluster-based DFT (that account for only the hydrogen-bonding interactions around a single molecule), and solid-state DFT are considered in detail, with parabanic acid serving as an excellent case study due to its small size and the availability of high-quality structure data. These calculations show that hydrogen bonding results in a change in the bond distances and bond angles of parabanic acid from the free molecule values.
Liaparinos, P F
2013-10-01
Phosphor materials provide challenges to both fundamental research and breakthrough development of technologies in research areas. In recent years, with the development of science and technology in the field of materials, a number of physical or chemical synthesis methods have been developed and successfully used for the preparation of submicrometer-sized phosphors. The present paper provides a rigorous analysis of light diffusion capabilities of phosphor materials in submicrometer-scale investigating the effect of light wavelength. Mie scattering theory and Monte Carlo simulation techniques were used for the optical diffusion performance providing numerical calculations. The Monte Carlo model included: (i) phosphor layers composed of different thickness (200, 500, 1000 μm) and (ii) different light wavelength values (420, 545, 610 nm) corresponding to different types of activators, such as Ce, Tb, and Eu activators, respectively. Based on Mie calculations, it was found that for low values of refractive index (e.g., 1.4) and for particle radius from 250 up to 500 nm no significant variations occurred on optical parameters. Monte Carlo simulations showed that the resolution increases as light wavelength decreases, respectively, however, this increase is more obvious at lower thickness values (i.e., at 200 μm). In particular, as light wavelength decreases from 610 down to 545 and 420 nm, the resolution increases 4.4% and 13.9%, respectively (at 200 μm layer thickness). In addition, as layer thickness increases from 200 up to 500 μm the resolution decreases 50.2% while an increase up to 1000 μm causes a decrease of 70.2% (at 420 nm light wavelength). The goal of the author's study was to investigate the optical diffusion characteristics of submicrometer phosphor materials using Mie scattering theory and Monte Carlo simulation. The present investigation indicated that a key parameter on resolution improvement was the amount of light loss which depends on the choice
Aerosol single-scattering albedo retrieval over North Africa using critical reflectance
Wells, Kelley C.
The sign and magnitude of the aerosol radiative forcing over bright surfaces is highly dependent on the absorbing properties of the aerosol. Thus, the determination of aerosol forcing over desert regions requires accurate information about the aerosol single-scattering albedo (SSA). However, the brightness of desert surfaces complicates the retrieval of aerosol optical properties using passive space-based measurements. The aerosol critical reflectance is one parameter that can be used to relate top-of-atmosphere (TOA) reflectance changes over land to the aerosol absorption properties, without knowledge of the underlying surface properties or aerosol loading. Physically, the parameter represents the TOA reflectance at which increased aerosol scattering due to increased aerosol loading is balanced by increased absorption of the surface contribution to the TOA reflectance. It can be derived by comparing two satellite images with different aerosol loading, assuming that the surface reflectance and background aerosol are similar between the two days. In this work, we explore the utility of the critical reflectance method for routine monitoring of spectral aerosol absorption from space over North Africa, a region that is predominantly impacted by absorbing dust and biomass burning aerosol. We derive the critical reflectance from Moderate Resolution Spectroradiometer (MODIS) Level 1B reflectances in the vicinity of two Aerosol Robotic Network (AERONET) stations: Tamanrasset, a site in the Algerian Sahara, and Banizoumbou, a Sahelian site in Niger. We examine the sensitivity of the critical reflectance parameter to aerosol physical and optical properties, as well as solar and viewing geometry, using the Santa Barbara DISORT Radiative Transfer (SBDART) model, and apply our findings to retrieve SSA from the MODIS critical reflectance values. We compare our results to AERONET-retrieved estimates, as well as to measurements of the TOA albedo and surface fluxes from the
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.
Characterization of single particle aerosols by elastic light scattering at multiple wavelengths
Lane, P. A.; Hart, M. B.; Jain, V.; Tucker, J. E.; Eversole, J. D.
2018-03-01
We describe a system to characterize individual aerosol particles using stable and repeatable measurement of elastic light scattering. The method employs a linear electrodynamic quadrupole (LEQ) particle trap. Charged particles, continuously injected by electrospray into this system, are confined to move vertically along the stability line in the center of the LEQ past a point where they are optically interrogated. Light scattered in the near forward direction was measured at three different wavelengths using time-division multiplexed collinear laser beams. We validated our method by comparing measured silica microsphere data for four selected diameters (0.7, 1.0, 1.5 and 2.0 μm) to a model of collected scattered light intensities based upon Lorenz-Mie scattering theory. Scattered light measurements at the different wavelengths are correlated, allowing us to distinguish and classify inhomogeneous particles.
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.
Numerical Simulations of the Flame of a Single Coaxial Injector
Directory of Open Access Journals (Sweden)
Victor P. Zhukov
2017-01-01
Full Text Available The processes of mixing and combustion in the jet of a shear-coaxial injector are investigated. Two test cases (nonreacting and reacting are simulated using the commercial computational fluid dynamics code ANSYS CFX. The first test case is an experiment on the mixing in a nonreacting coaxial jet carried out with the use of planar laser induced fluorescence (PLIF. The second test case is an experiment on the visualization of hydrogen-oxygen flame using PLIF of OH in a single injector combustion chamber at pressure of 53 bar. In the first test case, the two-dimensional axisymmetric simulations are performed using the shear-stress turbulence (SST model. Due to the dominant flow unsteadiness in the second test case, the turbulence is modeled using transient SAS (Scale-Adaptive Simulation model. The combustion is modeled using the burning velocity model (BVM while both two- and three-dimensional simulations are carried out. The numerical model agrees with the experimental data very well in the first test case and adequately in the second test case.
The single-beam funnel demonstration: Experiment and simulation
International Nuclear Information System (INIS)
Johnson, K.F.; Sander, O.R.; Bolme, G.O.; Gilpatrick, J.D.; Guy, F.W.; Marquardt, J.H.; Sandoval, D.; Yuan, V.; Saadatmand, K.
1991-01-01
Accelerator concepts for heavy-ion fusion and for the transmutation of nuclear waste require small-emittance, high-current beams. Such applications include funnels in which high-current, like-charged particle beams are interlaced to double the beam current. The first experimental demonstration confirming the beam dynamics of the funnel principle (with contained emittance growth) was recently completed at Los Alamos National Laboratory. A single leg of a prototype 5-MeV, H - funnel was successfully tested. This single-beam demonstration explored physics issues of a two-beam funnel. The experiment contained elements for emittance control, position control, and rf-deflection. Diagnostics allowed measurement of beam intensity, position and angle centroids, energy and phase centroids, transverse and longitudinal phase-space distributions. Results of the experiment will be presented along with comparisons to simulations
Long-range nonlocality in six-point string scattering: Simulation of black hole infallers
Dodelson, Matthew; Silverstein, Eva
2017-09-01
We set up a tree-level six-point scattering process in which two strings are separated longitudinally such that they could only interact directly via a nonlocal spreading effect such as that predicted by light-cone gauge calculations and the Gross-Mende saddle point. One string, the "detector," is produced at a finite time with energy E by an auxiliary 2 →2 subprocess, with kinematics such that it has sufficient resolution to detect the longitudinal spreading of an additional incoming string, the "source." We test this hypothesis in a gauge-invariant S-matrix calculation convolved with an appropriate wavepacket peaked at a separation X between the central trajectories of the source and produced detector. The amplitude exhibits support for scattering at the predicted longitudinal separation X ˜α'E , in sharp contrast to the analogous quantum field theory amplitude (whose support manifestly traces out a tail of the position-space wavefunction). The effect arises in a regime in which the string amplitude is not obtained as a convergent sum of such QFT amplitudes, and has larger amplitude than similar QFT models (with the same auxiliary four-point amplitude). In a linear dilaton background, the amplitude depends on the string coupling as expected if the scattering is not simply occurring on the wavepacket tail in string theory. This manifests the scale of longitudinal spreading in a gauge-invariant S-matrix amplitude, in a calculable process with significant amplitude. It simulates a key feature of the dynamics of time-translated horizon infallers.
Potenza, Marco; Villa, Stefano; Sanvito, Tiziano; Albani, Samuel; Delmonte, Barbara; Maggi, Valter
2015-04-01
From the point of view of light scattering each particle is characterized by several parameters, the size being by far the most important in determining the amount of radiated power. Nevertheless, composition, internal structure, shape do slightly affect the way light is scattered, and in turn also prevent the possibility to extract the correct size. Recovering the whole information is of paramount difficulty, if not impossibile for single particles. A trade off can be obtained by introducing the optical thickness, i.e. the product of the size and the refractive index, which determines the optical properties. Here we focus at studying the optical thickness of dust particles from the EPICA Dome C ice core. We provide for the first time a direct measurement of dust optical parameters that is the most direct information needed by climate models, and highlight important differences among samples. The SPES method is named after its capability to access both the extinction cross section and the forward scattered field amplitude for each particle. This method is well working with extremely dilute suspensions, such as Antarctic ice core samples. The SPES method is based upon combined and simultaneous measurements of the power reduction of a laser beam in presence of the particle (extinction by definition) and the interference between the intense transmitted beam and the much fainter forward scattered wave (scattering). In such a way it is possible to access both the amplitude and phase of the scattered wave, which means both the real and imaginary parts of the complex field amplitude. This makes the difference with traditional approaches. We show some preliminary results from glacial and interglacial samples from the EPICA ice core and suggest a method to extract information which is important for the light scattering properties of the ensemble of dust particles contained in each sample.
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...SUBTITLE The Strength of Chaos: accurate simulation of resonant electron scattering by many- electron ions and atoms in the presence of quantum chaos...Strength of Chaos: accurate simulation of resonant electron scattering by many-electron ions and atoms in the presence of quantum chaos” Date 13
Measurement of fluorophore concentration in scattering media by a single optical fiber
Stepp, Herbert; Beck, Tobias; Beyer, Wolfgang; Pfaller, Christian; Sroka, Ronald; Baumgartner, Reinhold
2006-02-01
Motivation: Photodynamic Therapy (PDT) with interstitial light delivery by multiple fibers for the treatment of large tissue volumes requires measurement of sensitizer distribution for dosimetric considerations. For stereotactic interstitial PDT of malignant glioma, for instance, a pre-irradiation comparison of the contrast enhancing tissue volume in MR-imaging with the photosensitized volume as assessed by fluorescence detection is desirable. For PDT of prostate cancer, the quantitative measurement of the selectivity of sensitizer uptake in cancer versus normal prostate parenchyma is important. Methods: It has previously been shown by others that the fluorescence intensity measured by a thin single optical fiber for excitation and detection is largely independent on optical parameters of the tissue that contains the fluorochrome. However, the investigators assumed similar values for excitation and emission wavelengths. This study concerned liquid phantom measurements (absorber: ink or hemoglobin, fluorochrome: Na-fluorescein) and Monte Carlo calculations, with extended conditions, where the absorption differs by a factor of 10 between excitation (426 nm) and emission (530 nm) wavelengths. The absorption coefficient (μ a') was varied between 0.01 - 0.3 mm-1 (@ 426 nm), the effective scattering coefficient (μ s') between 0.6 - 2.5 mm-1. A 200 μm and a 1000 μm core fiber were used. Results: Fluorescence intensity measured at 530 nm via a thin optical fiber (core diameter small compared to light penetration depth) depends minimally on optical tissue parameters. This result is valid for ink as absorber (μa identical at excitation and emission) as well as for hemoglobin (μa different). Fluorochrome concentration measurements seem possible with a 200 μm core fiber, but not with the 1000 μm core fiber.
Directory of Open Access Journals (Sweden)
S. Kazadzis
2010-08-01
Full Text Available The possibility of measuring aerosol optical absorption properties in the UV spectral range such as single scattering albedo (SSA, using remote sensing techniques, is currently an open scientific issue. We investigate the limitations on calculating column average SSA using a combination of global UV spectral measurements (that are comon in various UV monitoring stations worldwide with radiative transfer modeling. To point out the difficulties in such a retrieval we have used the travelling reference spectroradiometer QASUME (Quality Assurance of Spectral Ultraviolet Measurements in Europe results from 27 visits to UV monitoring stations around Europe. We have used the QASUME instrument as relative reference, analyzing absolute differences and also temporal and spectral deviations of UV irraidances, that are used as basic input for the SSA retrieval.
The results comparing the mean SSA derived by all instruments, measuring synchronous UV spectra, showed that 5 were within ± 0.02 difference from the SSA calculated from the QASUME instrument, while 17 were within ± 0.04, for the Solar zenith angle of 60 degrees. As for the uncertainty that has been calculated using the 2σ standard deviation of the spectral measurements, a mean 0.072 and 0.10 (2σ uncertainties have been calculated for 60° and 30°, respectively. Based on the fact that additional uncertainties would be introduced in the SSA retrieval from AOD model input accuracy, assymetry parameter assumptions, we show that only very few instrumnents could be able to detect long term SSA changes. However, such measurements/results ar useful in order to retrieve SSA at UV wavelengths, a product needed for various applications such as, inputs for modeling radiative forcing studies and satellite retrieval algorithms.
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.
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...
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...
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.
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.
Dynamics of Molecules Adsorbed in Zeolitic Systems: Neutron Scattering and MD Simulation Studies
Mitra, S.; Sharma, V. K.; Mukhopadhyay, R.
2011-07-01
Zeolites represent a class of technologically important materials because of their characteristic properties of molecular sieving and catalysis, which makes them indispensable in the petroleum industries. While the catalytic properties depend upon many factors, a major role is played by the dynamics of hydrocarbon gases. In order to be able to tailor make these materials for use in industry for catalytic and sieving purposes, it is important to understand the dynamical properties of the guest molecules adsorbed in the zeolitic materials. It is of interest to study the effects of size and shape of guest molecules and also the host zeolitic structure, governing the diffusion mechanism of the adsorbed species. Here we report the results of Quasielastic Neutron Scattering (QENS) and classical molecular dynamics (MD) simulation studies of two hydrocarbons namely acetylene and propylene adsorbed in two structurally different zeolites Na-Y and ZSM-5.
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.
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.
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
Harpham, Michael R.; Ladanyi, Branka M.; Levinger, Nancy E.; Herwig, Kenneth W.
2004-10-01
Motion of water molecules in Aerosol OT [sodium bis(2-ethylhexyl) sulfosuccinate, AOT] reverse micelles with water content w0 ranging from 1 to 5 has been explored both experimentally through quasielastic neutron scattering (QENS) and with molecular dynamics (MD) simulations. The experiments were performed at the energy resolution of 85 μeV over the momentum transfer (Q) range of 0.36-2.53 Å-1 on samples in which the nonpolar phase (isooctane) and the AOT alkyl chains were deuterated, thereby suppressing their contribution to the QENS signal. QENS results were analyzed via a jump-diffusion/isotropic rotation model, which fits the results reasonably well despite the fact that confinement effects are not explicitly taken into account. This analysis indicates that in reverse micelles with low-water content (w0=1 and 2.5) translational diffusion rate is too slow to be detected, while for w0=5 the diffusion coefficient is much smaller than for bulk water. Rotational diffusion coefficients obtained from this analysis increase with w0 and are smaller than for bulk water, but rotational mobility is less drastically reduced than translational mobility. Using the Faeder/Ladanyi model [J. Phys. Chem. B 104, 1033 (2000)] of reverse micelle interior, MD simulations were performed to calculate the self-intermediate scattering function FS(Q,t) for water hydrogens. Comparison of the time Fourier transform of this FS(Q,t) with the QENS dynamic structure factor S(Q,ω), shows good agreement between the model and experiment. Separate intermediate scattering functions FSR(Q,t) and FSCM(Q,t) were determined for rotational and translational motion. Consistent with the decoupling approximation used in the analysis of QENS data, the product of FSR(Q,t) and FSCM(Q,t) is a good approximation to the total FS(Q,t). We find that the decay of FSCM(Q,t) is nonexponential and our analysis of the MD data indicates that this behavior is due to lower water mobility close to the interface and to
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.
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.
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)
Boruah, Manash J.; Ahmed, Gazi A.
2018-01-01
Laser based experimental light scattering studies of irregularly shaped silica microparticles have been performed at three incident wavelengths 543.5 nm, 594.5 nm and 632.8 nm supported by laboratory based computations and 3D realistic simulations, using an indigenously fabricated light scattering setup. A comparative analysis of the computational and experimentally acquired results is done and a good agreement is found in the forward scattering lobes in all cases for each of the measured scattering parameters. This study also provides an efficient way of detecting and measuring particle size distribution for irregular micro- and nanoparticles and is highly applicable in remote sensing, atmospheric, astrophysical, and medical applications and also for finding potential health hazards in the form of inhalable and respirable small particulate matter.
Kuo, K.; Clune, T.; Pearson, C.; Olson, W. S.; Skofronick-Jackson, G.; Gravner, J.; Griffeath, D.
2010-12-01
This study improves upon an earlier, preliminary study using only three size bins based on maximum diameter in which it is found that the single-scattering properties of ensembles of non-spherical precipitation particles can be better characterized by considering the non-convexity of these particles. The difficulty of retrievals involving non-spherical particles stems not only from the fact that these particles are not spherical but also the fact that the shape composition of an ensemble of particles is usually unknown and the possibility of its mixture is infinite. Being able to adequately characterize the single-scattering properties of ensembles involving these non-spherical particles with as few parameters as possible is at the heart of solving this thorny remote sensing problem. Inspired by how well three parameters, i.e. water content, effective radius, and effective variance (or their equivalent), characterize the single-scattering properties of an ensemble of spherical particles of varying sizes, we set out to find additional parameters that generalize these three for ensembles of non-spherical particles. We find that a non-convexity measure appears to be one of these additional parameters. Non-convexity is expressed as a ratio of two effective radii derived from the moments of a given particle size distribution (PSD), each of which is in essence a ratio of ensemble particle volume to area. The effective radius in the numerator (denoted as rA) of the non-convexity ratio is based on the projection area of the particle ensemble whereas the one in the denominator (denoted as rS) is based on the surface area. In the preliminary study with PSDs having only three size bins, it is found that variations in the single-scattering properties, such as the scattering and extinction coefficients, the asymmetry factor, and even the scattering phase function, of a particle ensemble with a specified water content are very limited (practically non-existent), if 1) the habit
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
Single seed precise sowing of maize using computer simulation.
Zhao, Longgang; Han, Zhongzhi; Yang, Jinzhong; Qi, Hua
2018-01-01
In order to test the feasibility of computer simulation in field maize planting, the selection of the method of single seed precise sowing in maize is studied based on the quadratic function model Y = A×(D-Dm)2+Ym, which depicts the relationship between maize yield and planting density. And the advantages and disadvantages of the two planting methods under the condition of single seed sowing are also compared: Method 1 is optimum density planting, while Method 2 is the ideal seedling emergence number planting. It is found that the yield reduction rate and yield fluctuation of Method 2 are all lower than those of Method 1. The yield of Method 2 increased by at least 0.043 t/hm2, and showed more advantages over Method 1 with higher yield level. Further study made on the influence of seedling emergence rate on the yield of maize finds that the yields of the two methods are both highly positively correlated with the seedling emergence rate and the standard deviations of their yields are both highly negatively correlated with the seedling emergence rate. For the study of the break-up problem of sparse caused by the method of single seed precise sowing, the definition of seedling missing spots is put forward. The study found that the relationship between number of hundred-dot spot and field seedling emergence rate is as the parabola function y = -189.32x2 + 309.55x - 118.95 and the relationship between number of spot missing seedling and field seedling emergence rate is as the negative exponent function y = 395.69e-6.144x. The results may help to guide the maize seeds production and single seed precise sowing to some extent.
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)
Xu, Hai-Bo; Zheng, Na
2015-07-01
A version of Geant4 has been developed to treat high-energy proton radiography. This article presents the results of calculations simulating the effects of nuclear elastic scattering for various test step wedges. Comparisons with experimental data are also presented. The traditional expressions of the transmission should be correct if the angle distribution of the scattering is Gaussian multiple Coulomb scattering. The mean free path (which depends on the collimator angle) and the radiation length are treated as empirical parameters, according to transmission as a function of thickness obtained by simulations. The results can be used in density reconstruction, which depends on the transmission expressions. Supported by NSAF (11176001) and Science and Technology Developing Foundation of China Academy of Engineering Physics (2012A0202006)
Energy Technology Data Exchange (ETDEWEB)
White, Claire [Los Alamos National Laboratory; Bloomer, Breaunnah E. [Los Alamos National Laboratory; Provis, John L. [The University of Melbourne; Henson, Neil J. [Los Alamos National Laboratory; Page, Katharine L. [Los Alamos National Laboratory
2012-05-16
With the ever increasing demands for technologically advanced structural materials, together with emerging environmental consciousness due to climate change, geopolymer cement is fast becoming a viable alternative to traditional cements due to proven mechanical engineering characteristics and the reduction in CO2 emitted (approximately 80% less CO2 emitted compared to ordinary Portland cement). Nevertheless, much remains unknown regarding the kinetics of the molecular changes responsible for nanostructural evolution during the geopolymerization process. Here, in-situ total scattering measurements in the form of X-ray pair distribution function (PDF) analysis are used to quantify the extent of reaction of metakaolin/slag alkali-activated geopolymer binders, including the effects of various activators (alkali hydroxide/silicate) on the kinetics of the geopolymerization reaction. Restricting quantification of the kinetics to the initial ten hours of reaction does not enable elucidation of the true extent of the reaction, but using X-ray PDF data obtained after 128 days of reaction enables more accurate determination of the initial extent of reaction. The synergies between the in-situ X-ray PDF data and simulations conducted by multiscale density functional theory-based coarse-grained Monte Carlo analysis are outlined, particularly with regard to the potential for the X-ray data to provide a time scale for kinetic analysis of the extent of reaction obtained from the multiscale simulation methodology.
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.
Directory of Open Access Journals (Sweden)
M. Collaud Coen
2004-01-01
Full Text Available Scattering and absorption coefficients have been measured continuously at several wavelengths since March 2001 at the high altitude site Jungfraujoch (3580ma.s.l.. From these data, the wavelength dependences of the Ångström exponent and particularly of the single scattering albedo are determined. While the exponent of the single scattering albedo usually increases with wavelength, it decreases with wavelength during Saharan dust events (SDE due to the greater size of the mineral aerosol particles and their different chemical composition. This change in the sign of the single scattering exponent turns out to be a sensitive means for detecting Saharan dust events. The occurrence of SDE detected by this new method was confirmed by visual inspection of filter colors and by studying long-range back-trajectories. An examination of SDE over a 22-month period shows that SDE are more frequent during the March-June period as well as during October and November. The trajectory analysis indicated a mean traveling time of 96.5h, with the most important source countries situated in the northern and north-western part of the Saharan desert. Most of the SDE do not lead to a detectable increase of the 48-h total suspended particulate matter (TSP concentration at the Jungfraujoch. During Saharan dust events, the average contribution of this dust to hourly TSP at the Jungfraujoch is 16µg/m3, which corresponds to an annual mean of 0.8µg/m3 or 24% of TSP.
Frehner, Marcel; Schmalholz, Stefan M.; Saenger, Erik H.; Steeb, Holger Karl
2008-01-01
Two-dimensional scattering of elastic waves in a medium containing a circular heterogeneity is investigated with an analytical solution and numerical wave propagation simulations. Different combinations of finite difference methods (FDM) and finite element methods (FEM) are used to numerically solve
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.
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.
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).
Monte Carlo simulations of ceiling scatter in nuclear medicine:99mTc,131I and18F.
Schnerr, Roald S; de Jong, Anouk N; Landry, Guillaume; Jeukens, Cécile R L P N; Wierts, Roel
2017-03-01
In the design of nuclear medicine treatment and examination rooms, an important consideration is the shielding required for ionizing radiation from the radioactive isotopes used. The shielding in the walls is normally limited to a height lower than the actual ceiling height. The direct radiation, possibly with build-up correction, can be calculated relatively easily. However, little data are available to estimate the dose contribution from ionizing radiation traveling over the wall shielding and scattering off the ceiling. We aim to determine the contribution of the ceiling scatter to the radiation dose outside nuclear medicine rooms. Monte Carlo simulations were performed using Gate for different heights of lead shielding in the wall, and different ceiling heights. A point source in air of 99m Tc (141 keV), 131 I (365 keV) or 18 F (511 keV) was placed 1.0 m above the floor, 3.0 m from the lead shielding. Simulations of ceiling scatter only and for the total radiation dose were performed for these 3 isotopes, 5 different ceiling heights and 4-8 different wall shielding heights, resulting in a total of 165 simulations. This allowed us to compare the contribution of the radiation passing through the shielding and the ceiling scatter. We find that the shielding required for the primary radiation, measured in half-value layers, is an important factor in determining the relative contribution of ceiling scatter. When more than about 4 half-value layers of shielding are used, ceiling scatter becomes the dominant factor and should be taken into account in the shielding design. In many practical cases for low energy photons (e.g. from 99m Tc; 141 keV; half-value layer of 0.26 mm lead), 2 mm of lead is used and ceiling scatter is a dominating factor contributing >~70% of the dose outside the shielded room. For higher energies (e.g. 18 F; 511 keV; half-value layer of 3.9 mm lead) the ceiling scatter is typically less than about 15% when 8 mm of lead shielding is
Δ33 resonance in pion nucleus elastic, single, and double charge exchange scattering
International Nuclear Information System (INIS)
Johnson, M.B.
1983-01-01
The Δ 33 resonance is strongly excited in pion-nucleon scattering, but there is clearly only a limited amount of information that can be learned in scattering the pion from an isolated nucleon. One learns that there is a resonance of mass 1232 MeV, width 115 MeV, and, if one is willing to introduce a dynamical model, something about the off-shell extension of the amplitude. One stands to learn much more from pion-nucleus scattering because in this case the Δ 33 resonance has an opportunity to scatter from nucleons, and how this occurs is not well understood. What do we know about the Δ-N interaction for pion-nucleus scattering. The isobar-hole model was invented to deal directly with the Δ 33 -nucleus dynamics, and a phenomenological determination of the isobar shell-model potential was attempted. The unknown dynamics deltaU/sub Δ/ is contained in a central isoscalar spreading potential of strength W 0 and a spin orbit potential deltaU 0 = W 0 rho + spin-orbit. The real part of W 0 rho is measured relative to the nucleon-nucleus potential. From a more theoretical point of view, one would like to be able to calculate deltaU/sub Δ/, including its isospin dependence, from an underlying dynamical model which is formulated in terms of the basic effective meson-baryon couplings. Some salient properties of these couplings can be determined from models of quark-bag structure, which raises the exciting possibility of learning about these fundamental issues from pion scattering. Attempts at Los Alamos to build a theoretical framework to deal with these and other issues are described
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)
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
International Nuclear Information System (INIS)
Popp, C.; Brix, G.
2000-01-01
The direct magnification mammography system DIMA Plus M11, which is in clinical evaluation at present, relies not on a grid, but solely on an air gap for scatter reduction. Thus it was the aim of the present study, to compare the effectiveness of an air gap to that of a grid by means of Monte-Carlo simulation. To this end, the scatter distributions of the photons as well as the ratio of scatter to total radiation were calculated for an air gap system, a grid system, and a system without a scatter reduction device respectively, for perspex thicknesses from 2 to 6 cm. Even though good scatter reduction could be achieved with the air gap, the grid yielded better results for every perspex thickness. The optimal air gap distance was calculated for a source to image distance of 60 cm and a scatter medium of 4 cm perspex. The result of 27.8±1 cm is in good agreement with the experimentally optimized air gap distance of 25 cm proposed by the manufacturer. (orig.) [de
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)
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)
Energy loss of light ions scattered off Al(110) single crystal surfaces at low energy
Hausmann, S; Hofner, C; Schlathölter, Thomas; Franke, H; Narmann, A; Heiland, W
We present energy loss data taken after grazing incidence scattering of H+, H-0, He2+, He+, and He-0 off an Al(110) surface, The data is evaluated by means of a procedure that allows to extract surface electron density parameters. The obtained density parameters will be compared to those obtained
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
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.
Airapetian, A.; Akopov, N.; Akopov, Z.; Amarian, M.; Andrus, A.; Aschenauer, E. C.; Augustyniak, W.; Avakian, R.; Avetissian, A.; Avetissian, E.; Bacchetta, A.; Bailey, P.; Balin, D.; Beckmann, M.; Belostotski, S.; Bianchi, N.; Blok, H. P.; Böttcher, H.; Borissov, A.; Borysenko, A.; Bouwhuis, M.; Brüll, A.; Bryzgalov, V.; Capitani, G. P.; Cappiluppi, M.; Chen, T.; Ciullo, G.; Contalbrigo, M.; Dalpiaz, P. F.; Leo, R. De; Demey, M.; Nardo, L. De; Sanctis, E. De; Devitsin, E.; Nezza, P. Di; Düren, M.; Ehrenfried, M.; Elalaoui-Moulay, A.; Elbakian, G.; Ellinghaus, F.; Elschenbroich, U.; Fabbri, R.; Fantoni, A.; Fechtchenko, A.; Felawka, L.; Frullani, S.; Gapienko, G.; Gapienko, V.; Garibaldi, F.; Garrow, K.; Gavrilov, G.; Gharibyan, V.; Grebeniouk, O.; Gregor, I. M.; Hadjidakis, C.; Hafidi, K.; Hartig, M.; Hasch, D.; Henoch, M.; Hesselink, W. H.; Hillenbrand, A.; Hoek, M.; Holler, Y.; Hommez, B.; Hristova, I.; Iarygin, G.; Ilyichev, A.; Ivanilov, A.; Izotov, A.; Jackson, H. E.; Jgoun, A.; Kaiser, R.; Kinney, E.; Kisselev, A.; Kobayashi, T.; Kopytin, M.; Korotkov, V.; Kozlov, V.; Krauss, B.; Krivokhijine, V. G.; Lagamba, L.; Lapikás, L.; Laziev, A.; Lenisa, P.; Liebing, P.; Linden-Levy, L. A.; Lorenzon, W.; Lu, H.; Lu, J.; Lu, S.; Ma, B.-Q.; Maiheu, B.; Makins, N. C.; Mao, Y.; Marianski, B.; Marukyan, H.; Masoli, F.; Mexner, V.; Meyners, N.; Michler, T.; Mikloukho, O.; Miller, C. A.; Miyachi, Y.; Muccifora, V.; Nagaitsev, A.; Nappi, E.; Naryshkin, Y.; Nass, A.; Negodaev, M.; Nowak, W.-D.; Oganessyan, K.; Ohsuga, H.; Osborne, A.; Pickert, N.; Potterveld, D. H.; Raithel, M.; Reggiani, D.; Reimer, P. E.; Reischl, A.; Reolon, A. R.; Riedl, C.; Rith, K.; Rosner, G.; Rostomyan, A.; Rubacek, L.; Rubin, J.; Ryckbosch, D.; Salomatin, Y.; Sanjiev, I.; Savin, I.; Schäfer, A.; Schill, C.; Schnell, G.; Schüler, K. P.; Seele, J.; Seidl, R.; Seitz, B.; Shanidze, R.; Shearer, C.; Shibata, T.-A.; Shutov, V.; Sinram, K.; Sommer, W.; Stancari, M.; Statera, M.; Steffens, E.; Steijger, J. J.; Stenzel, H.; Stewart, J.; Stinzing, F.; Tait, P.; Tanaka, H.; Taroian, S.; Tchuiko, B.; Terkulov, A.; Trzcinski, A.; Tytgat, M.; Vandenbroucke, A.; van der Nat, P. B.; van der Steenhoven, G.; van Haarlem, Y.; Vetterli, M. C.; Vikhrov, V.; Vincter, M. G.; Vogel, C.; Volmer, J.; Wang, S.; Wendland, J.; Wilbert, J.; Smit, G. Ybeles; Ye, Y.; Ye, Z.; Yen, S.; Zihlmann, B.; Zupranski, P.
2005-01-01
Single-spin asymmetries for semi-inclusive electroproduction of charged pions in deep-inelastic scattering of positrons are measured for the first time with transverse target polarization. The asymmetry depends on the azimuthal angles of both the pion (ϕ) and the target spin axis (ϕS) about the virtual-photon direction and relative to the lepton scattering plane. The extracted Fourier component πUT is a signal of the previously unmeasured quark transversity distribution, in conjunction with the Collins fragmentation function, also unknown. The component πUT arises from a correlation between the transverse polarization of the target nucleon and the intrinsic transverse momentum of quarks, as represented by the previously unmeasured Sivers distribution function. Evidence for both signals is observed, but the Sivers asymmetry may be affected by exclusive vector meson production.
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.
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)
Gnezdilov, V. P.; Pashkevich, Yu. G.; Tranquada, J. M.; Lemmens, P.; Guentherodt, G.; Yeremenko, A. V.; Barilo, S. N.; Shiryaev, S. V.; Kurnevich, L. A.; Gehring, P. M.
2004-01-01
We report a neutron and Raman scattering study of a single-crystal of La(2)CuO(4.05) prepared by high temperature electrochemical oxidation. Elastic neutron scattering measurements show the presence of two phases, corresponding to the two edges of the first miscibility gap, all the way up to 300 K. An additional oxygen redistribution, driven by electronic energies, is identified at 250 K in Raman scattering (RS) experiments by the simultaneous onset of two-phonon and two-magnon scattering, wh...
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.
Analysis of suspended solids by single-particle scattering. [for Lake Superior pollution monitoring
Diehl, S. R.; Smith, D. T.; Sydor, M.
1979-01-01
Light scattering by individual particulates is used in a multiple-detector system to categorize the composition of suspended solids in terms of broad particulate categories. The scattering signatures of red clay and taconite tailings, the two primary particulate contaminants in western Lake Superior, along with two types of asbestiform fibers, amphibole and chrysolite, were studied in detail. A method was developed to predict the concentration of asbestiform fibers in filtration plant samples for which electron microscope analysis was done concurrently. Fiber levels as low as 50,000 fibers/liter were optically detectable. The method has application in optical categorization of samples for remote sensing purposes and offers a fast, inexpensive means for analyzing water samples from filtration plants for specific particulate contaminants.
Heinisch, Christian; Wills, Jon B; Reid, Jonathan P; Tschudi, Theo; Tropea, Cameron
2009-11-14
The evaporation dynamics of stationary water droplets held within an electrodynamic trap are investigated in a nitrogen flow of variable velocity. In particular, the influence of the nitrogen gas flow on the temperature of the evaporating water droplets is studied. By applying a contact free measurement technique, based on spontaneous Raman scattering, time averaged and time resolved measurements of temperature in the droplet volume are compared. This technique determines the temperature from an intensity ratio in the OH stretching band of the Stokes-Raman scattering after calibration. The measured trends in temperature over the first 5 s of evaporation are found to be in agreement with theoretical calculations of the heat and mass transfer rates.
Özgün, Özlem
2013-01-01
Statistical properties of scattered fields (or radar cross section values) in electromagnetic scattering from objects (such as ship- and decoy-like objects) on or above random rough sea surfaces are predicted by using transformation electromagnetics, finite element method (FEM) and Monte Carlo technique. The rough sea surface is modeled as a random process and is randomly generated by using the Pierson-Moskowitz spectrum. For each realization of the sea surface, scattered fields and the radar...
Chou, Ming-Dah; Suarez, Max J.; Ho, Chang-Hoi; Yan, Michael M.-H.; Lee, Kyu-Tae
1998-02-01
Parameterizations for cloud single-scattering properties and the scaling of optical thickness in a partial cloudiness condition have been developed for use in atmospheric models. Cloud optical properties are parameterized for four broad bands in the solar (or shortwave) spectrum; one in the ultraviolet and visible region and three in the infrared region. The extinction coefficient, single-scattering albedo, and asymmetry factor are parameterized separately for ice and water clouds. Based on high spectral-resolution calculations, the effective single-scattering coalbedo of a broad band is determined such that errors in the fluxes at the top of the atmosphere and at the surface are minimized. This parameterization introduces errors of a few percent in the absorption of shortwave radiation in the atmosphere and at the surface.Scaling of the optical thickness is based on the maximum-random cloud-overlapping approximation. The atmosphere is divided into three height groups separated approximately by the 400- and 700-mb levels. Clouds are assumed maximally overlapped within each height group and randomly overlapped among different groups. The scaling is applied only to the maximally overlapped cloud layers in individual height groups. The scaling as a function of the optical thickness, cloud amount, and the solar zenith angle is derived from detailed calculations and empirically adjusted to minimize errors in the fluxes at the top of the atmosphere and at the surface. Different scaling is used for direct and diffuse radiation. Except for a large solar zenith angle, the error in fluxes introduced by the scaling is only a few percent. In terms of absolute error, it is within a few watts per square meter.
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.
Observation of Nonlinear Compton Scattering
Energy Technology Data Exchange (ETDEWEB)
Kotseroglou, T.
2003-12-19
This experiment tests Quantum Electrodynamics in the strong field regime. Nonlinear Compton scattering has been observed during the interaction of a 46.6 GeV electron beam with a 10{sup 18} W/cm{sup 2} laser beam. The strength of the field achieved was measured by the parameter {eta} = e{var_epsilon}{sub rms}/{omega}mc = 0.6. Data were collected with infrared and green laser photons and circularly polarized laser light. The timing stabilization achieved between the picosecond laser and electron pulses has {sigma}{sub rms} = 2 ps. A strong signal of electrons that absorbed up to 4 infrared photons (or up to 3 green photons) at the same point in space and time, while emitting a single gamma ray, was observed. The energy spectra of the scattered electrons and the nonlinear dependence of the electron yield on the field strength agreed with the simulation over 3 orders of magnitude. The detector could not resolve the nonlinear Compton scattering from the multiple single Compton scattering which produced rates of scattered electrons of the same order of magnitude. Nevertheless, a simulation has studied this difference and concluded that the scattered electron rates observed could not be accounted for only by multiple ordinary Compton scattering; nonlinear Compton scattering processes are dominant for n {ge} 3.
Use of Single-Layer g-C3N4/Ag Hybrids for Surface-Enhanced Raman Scattering (SERS)
Jiang, Jizhou; Zou, Jing; Wee, Andrew Thye Shen; Zhang, Wenjing
2016-01-01
Surface-enhanced Raman scattering (SERS) substrates with high activity and stability are desirable for SERS sensing. Here, we report a new single atomic layer graphitic-C3N4 (S-g-C3N4) and Ag nanoparticles (NPs) hybrid as high-performance SERS substrates. The SERS mechanism of the highly stable S-g-C3N4/Ag substrates was systematically investigated by a combination of experiments and theoretical calculations. From the results of XPS and Raman spectroscopies, it was found that there was a stro...
Knafo, W; Fak, B; Lapertot, G; Canfield, P C; Flouquet, J
2003-01-01
Inelastic neutron scattering experiments were performed on single crystals of the heavy-fermion compound CeIn sub 3 for temperatures below and above the Neel temperature, T sub N. In the antiferromagnetically ordered phase, well-defined spin-wave excitations with a bandwidth of 2 meV are observed. The spin waves coexist with quasielastic (QE) Kondo-type spin fluctuations and broadened crystal-field (CF) excitations below T sub N. Above T sub N , only the QE and CF excitations persist, with a weak temperature dependence.
Qin, Yi; Sun, Junqiang; Du, Mingdi; Liao, Jianfei
2012-09-01
A variable transmission spectrum single-passband narrowband optical filter is proposed and experimentally demonstrated. It is based on forward stimulated interpolarization scattering (SIPS) in a photonic crystal fiber by applying a differential quadrature phase-shift keying modulation to the pump wave to broaden and shape the SIPS gain spectrum. By choosing the bit rate of the modulation data pattern, a flat-top steep-cutoff optical bandpass filter with a 3 dB bandwidth of 70 MHz and a 10 dB bandwidth of 90 MHz is realized. In addition, a variable narrowband optical notch filter is also realized by attenuation of the pump wave.
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.
International Nuclear Information System (INIS)
Boronat, J.; Cazorla, C.; Colognesi, D.; Zoppi, M.
2004-01-01
Hydrogen single-particle dynamics in solid LiH at T=20 K has been studied through the incoherent inelastic neutron-scattering technique. A careful analysis of the scattering data has allowed for the determination of a reliable hydrogen-projected density of phonon states and, from this, of three relevant physical quantities: mean-squared displacement, mean kinetic energy, and Einstein frequency. In order to interpret these experimental findings, a fully quantum microscopic calculation has been carried out using the variational Monte Carlo method. The agreement achieved between neutron-scattering data and Monte Carlo estimates is good. In addition, a purely harmonic calculation has been also performed via the same Monte Carlo code, but anharmonic effects in H dynamics were not found relevant. The possible limitations of the present semiempirical potentials are finally discussed
Umhauer, H; Bottlinger, M
1991-11-20
To evaluate quantitatively the influence exerted by the shape and structure of nonspherical, nonideal particles on the results of single-particle scattered-light size analysis, measurements were conducted with individual particles of different materials (glass, limestone, and quartz). For this purpose, the particles were suspended in an electrodynamic balance and repeatedly passed through the analyzer's measuring volume with a continually changing random orientation. The scattered-light signal spectra thus obtained specify the probability with which a certain pulse height is induced when the particle passes once through the measuring volume at a given coincidental orientation. The spectra reflect the material-characteristic influence. They allow the loss of resolution of common scattered-light size analyses to be assessed and algorithms (matrices) to be compiled with which the shape and structure influence may be mathematically eliminated. Because a shape and structure independent size parameter is also determined from the individual particles, exact calibration curves can be derived in which the shape and structure influence are incorporated.
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
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.
A model for Monte Carlo simulation of low angle photon scattering in biological tissues
Tartari, A; Bonifazzi, C
2001-01-01
In order to include the molecular interference effect, a simple procedure is proposed and demonstrated to be able to update the usual cross section database for photon coherent scattering modelling in Monte Carlo codes. This effect was evaluated by measurement of coherent scattering distributions and by means of a model based on four basic materials composing biological tissues.
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.
Kastrisianaki-Guyton, E S; Chen, L; Rogers, S E; Cosgrove, T; van Duijneveldt, J S
2016-06-15
Aqueous dispersions of single-walled carbon nanotubes are often made using sodium dodecylsulfate (SDS), which adsorbs to the nanotube surface to stabilise them. Despite SDS being commonly used with single-walled carbon nanotubes, there is no consensus on the structure of the adsorbed layer. Small-angle neutron and X-ray scattering results reported here show that the data can be fitted to a relatively simple core-shell cylinder model, consistent with a polydisperse nanotube core of radius 10Å, surrounded by an adsorbed surfactant layer of thickness 18Å and volume fraction of 0.5. This is consistent with small nanotube bundles surrounded by an adsorbed layer of extended SDS molecules. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.
Single pulse vibrational Raman scattering by a broadband KrF excimer laser in a hydrogen-air flame
Pitz, Robert W.; Wehrmeyer, Joseph A.; Bowling, J. M.; Cheng, Tsarng-Sheng
1990-01-01
Spontaneous vibrational Raman scattering (VRS) is produced by a broadband excimer laser at 248 nm (KrF) in a H2-air flame, and VRS spectra are recorded for lean, stoichiometric, and rich flames. Except at very lean flame conditions, laser-induced fluorescence (LIF) processes interfere with VRS Stokes lines from H2, H2O, and O2. No interference is found for the N2 Stokes and N2 anti-Stokes lines. In a stoichiometric H2/air flame, single-pulse measurements of N2 concentration and temperature (by the VRS Stokes to anti-Stokes ratio) have a relative standard deviation of 7.7 and 10 percent, respectively. These single pulse measurement errors compare well with photon statistics calculations using measured Raman cross sections.
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.
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.
Berg, Matthew J; Hill, Steven C; Videen, Gorden; Gurton, Kristan P
2010-04-26
This work describes the design and use of an optical apparatus to measure the far-field elastic light-scattering pattern for a single particle over two angular-dimensions. A spatial filter composed of a mirror with a small through-hole is used to enable collection of the pattern uncommonly close to the forward direction; to within tenths of a degree. Minor modifications of the design allow for the simultaneous measurement of a particle's image along with its two-dimensional scattering pattern. Example measurements are presented involving single micrometer-sized glass spherical particles confined in an electrodynamic trap and a dilute suspension of polystyrene latex particles in water. A small forward-angle technique, called Guinier analysis, is used to determine a particle-size estimate directly from the measured pattern without a priori knowledge of the particle refractive index. Comparison of these size estimates to those obtained by fitting the measurements to Mie theory reveals relative errors low as 2%.
Malo de Molina, Paula; Alvarez, Fernando; Frick, Bernhard; Wildes, Andrew; Arbe, Arantxa; Colmenero, Juan
2017-10-18
We applied quasielastic neutron scattering (QENS) techniques to samples with two different contrasts (deuterated solute/hydrogenated solvent and the opposite label) to selectively study the component dynamics of proline/water solutions. Results on diluted and concentrated solutions (31 and 6 water molecules/proline molecule, respectively) were analyzed in terms of the susceptibility and considering a recently proposed model for water dynamics [Arbe et al., Phys. Rev. Lett., 2016, 117, 185501] which includes vibrations and the convolution of localized motions and diffusion. We found that proline molecules not only reduce the average diffusion coefficient of water but also extend the time/frequency range of the crossover region ('cage') between the vibrations and purely diffusive behavior. For the high proline concentration we also found experimental evidence of water heterogeneous dynamics and a distribution of diffusion coefficients. Complementary molecular dynamics simulations show that water molecules start to perform rotational diffusion when they escape the cage regime but before the purely diffusive behavior is established. The rotational diffusion regime is also retarded by the presence of proline molecules. On the other hand, a strong coupling between proline and water diffusive dynamics which persists with decreasing temperature is directly observed using QENS. Not only are the temperature dependences of the diffusion coefficients of both components the same, but their absolute values also approach each other with increasing proline concentration. We compared our results with those reported using other techniques, in particular using dielectric spectroscopy (DS). A simple approach based on molecular hydrodynamics and a molecular treatment of DS allows rationalizing the a priori puzzling inconsistency between QENS and dielectric results regarding the dynamic coupling of the two components. The interpretation proposed is based on general grounds and therefore
Archer, J.; Kolwas, M.; Jakubczyk, D.; Derkachov, G.; Woźniak, M.; Kolwas, K.
2017-11-01
We report on observation of well-pronounced characteristic features of elastic light scattering of evaporating solution and suspension microdroplet of the anionic surfactant sodium dodecyl sulfate (SDS) and colloidal silica (SiO2) nanospheres in diethylene glycol (DEG) during SDS surface layer and structure formation (crystallization). For pure DEG/SDS solution droplet evaporation process, characteristic evaporation transitions manifested in the evolution of the droplet radius, a(t) for all the SDS concentrations (C = 20 mM, 40 mM and 100 mM) studied as well as well-pronounced intensity signals characterizing SDS soft gel-solid transitions for initial SDS concentrations, C > 40 mM. In the case of microdroplets composed of DEG/SDS with controlled addition of colloidal silica, the intensity fluctuations were enhanced and had profiles dependent on the initial composition of the suspension. Exemplary wet droplets at the initial evaporation stages and final dry aggregates of SDS and SDS/SiO2 were deposited on a substrate and observed with Scanning Electron Microscopy (SEM). Features of the deposited structures correlate well with the elastic scattered light measurements characterizing the drying processes.
Lewis, Aaron
2007-03-01
Raman spectroscopy is an effective tool for the identification and analysis of molecular components of complex materials. The spatial resolution of Raman spectroscopy is limited by the wavelength of the light. One approach to overcome this drawback is Surface Enhanced Raman Scattering (SERS). This technique uses nanometric interactions between metal structures and surfaces to effect enhancement of the Raman signals. An important mechanism for enhancement originates from an electrostatic lightning rod effect due to the excitation of localized surface plasmon resonances. This is accomplished in a scanned probe microscopy context by employing an ultra-sharp metalized tip that is brought into a focused laser spot on the sample surface thereby enhancing the Raman signal. In this technique also known as Tip Enhanced Raman Scattering (TERS) the electrical field is locally enhanced near the sharp metalized tip. Rastering the sample should then allow for Raman imaging with nanometric resolution. Within this context it will be shown that multiple probe scanned probe microscopes have considerable potential in such tip enhanced applications.
Simulations of single-particle imaging of hydrated proteins with x-ray free-electron lasers
Fortmann-Grote, C.; Bielecki, J.; Jurek, Z.; Santra, R.; Ziaja-Motyka, B.; Mancuso, A. P.
2017-08-01
We employ start-to-end simulations to model coherent diffractive imaging of single biomolecules using x-ray free electron lasers. This technique is expected to yield new structural information about biologically relevant macromolecules thanks to the ability to study the isolated sample in its natural environment as opposed to crystallized or cryogenic samples. The effect of the solvent on the diffraction pattern and interpretability of the data is an open question. We present first results of calculations where the solvent is taken into account explicitly. They were performed with a molecular dynamics scheme for a sample consisting of a protein and a hydration layer of varying thickness. Through R-factor analysis of the simulated diffraction patterns from hydrated samples, we show that the scattering background from realistic hydration layers of up to 3 Å thickness presents no obstacle for the resolution of molecular structures at the sub-nm level.
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.
Sawicki, John; Kastor, Nikolas; Xu, Min
2008-04-14
A method for directly simulating coherent backscattering of polarized light by a turbid medium has been developed based on the Electric field Monte Carlo (EMC) method. Electric fields of light traveling in a pair of time-reversed paths are added coherently to simulate their interference. An efficient approach for computing the electric field of light traveling along a time-reversed path is derived and implemented based on the time-reversal symmetry of electromagnetic waves. Coherent backscattering of linearly and circularly polarized light by a turbid medium containing Mie scatterers is then investigated using this method.
Mitra, S.; Sharma, V. K.; Chaplot, S. L.; Mukhopadhyay, R.
2014-02-01
Here we report detailed dynamical landscape of propylene adsorbed in ZSM5 and Na-Y zeolites as studied by neutron scattering and molecular dynamics (MD) simulation. Separation of propylene molecule from propane in the petrochemical industry is an important issue because it is one of the most demanding energetic separation processes due to their very close relative volatilities and molecular sizes. Aim here is to investigate the correlation of the host topology towards the dynamics of guest molecules. ZSM5 zeolite is typified by a network of intersecting channels while Na-Y has a network of spherical supercages interconnected by windows. Both neutron scattering and MD simulation studies indicated that translational diffusion of propylene is more restricted in ZSM5 compared to Na-Y zeolite. Fully atomistic MD simulation studies showed that the translation involves three different time scales and rotational motion of the propylene is much faster than translation. The observed dynamics in QENS spectrometer (ΔE ˜ 200 μeV) corresponds to one of the three translational components indicated in the MD simulation. The faster rotational motion is observed in a wider energy window spectrometer (ΔE ˜ 3 meV). MD simulation results also show some interesting features like, non-isotropic rotation in ZSM5 while it has been isotropic in Na-Y zeolite. It is also found that propylene molecules prefer to orient along channels of ZSM5 zeolite.
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
Electric light scattering from single-stranded DNA in linear polyacrylamide solutions.
Todorov, R; Starchev, K; Stoylov, S P
2001-01-01
The electric light scattering (ELS) of ssDNA (calf thymus, 10 kbp, 55 micrograms/mL) in denaturing polyacrylamide (PAA) solutions was studied as a function of applied sinusoidal electric field and polymer concentration. Electric fields of strengths up to 300 V/cm and of frequencies between 100 and 5000 Hz were applied. It was found that the ELS effect increases with the field strength and decreases at high frequencies. The dependence of the ELS effect of ssDNA on polymer concentration passes through a maximum at 1% PAA. The relaxation times of decay of the ELS effect increase with increasing polymer concentrations. It was demonstrated that ELS is a useful method for investigation of ssDNA behavior in the course of pulse-field electrophoresis in polymer solutions.
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
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.
Tsang, L.; Lou, S. H.; Chan, C. H.
1991-01-01
The extended boundary condition method is applied to Monte Carlo simulations of two-dimensional random rough surface scattering. The numerical results are compared with one-dimensional random rough surfaces obtained from the finite-element method. It is found that the mean scattered intensity from two-dimensional rough surfaces differs from that of one dimension for rough surfaces with large slopes.
Muñoz, O.; Hovenier, J.W.
2011-01-01
In this paper we present an overview of light scattering experiments devoted to measure one or more elements of the scattering matrix as functions of the scattering angle of ensembles of randomly oriented small irregular particles in air. A summary of the most important findings in light scattering
Tsuruta, H.; Yabuki, M.; Takamura, T.; Sudo, S.; Yonemura, S.; Shirasuna, Y.; Hirano, K.; Sera, K.; Maeda, T.; Hayasaka, T.; Nakajima, T.
2008-12-01
An intensive field program was performed to measure atmospheric aerosols at Amami-Oshima, a small island located at southwest Japan, in the spring season of 2001, 2003, and 2005 under the ACE-Asia, APEX and ABC-EAREX2005 projects. Chemical analysis of the fine and coarse aerosols was made for elemental carbon (EC) and organic carbon, water soluble ions, and trace elements. Single scattering albedo (SSA) of aerosols was independently estimated by two methods. The one (SSAc) is by chemical compositions assuming a half internal mixture between EC and non sea-salt sulfate, and the other (SSAo) is by optical measurements of scattering coefficient and absorption coefficient. The backward trajectory analysis showed that the aerosol concentrations in the air masses arrived at Amami, were much higher from the Asian Continent than from other regions, and two types of aerosol enhancement were observed. The one was caused by polluted air masses from the urban-industrial area of east-coast China, the other was by high mineral dusts due to large- scale dust storms in the desert regions of northwest China. The SSAc was in a range of 0.87-0.98, and in good agreement with the SSAo after some corrections for original scattering and absorption coefficients. The SSAc showed no significant difference between the air masses from the polluted area and the desert regions. The negative correlation between the SSAc and EC was divided into two groups depending on the concentration of non sea-salt sulfate, while the increase in mineral dusts did not show any correlation with the SSAc.
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.
SIMIND Monte Carlo simulation of a single photon emission CT
International Nuclear Information System (INIS)
Bahreyni Toossi, M.T.; Pirayesh Islamian, J.; Naseri, S.H.; Momennezhad, M.; Ljungberg, M.
2010-01-01
In this study, we simulated a Siemens E.CAM SPECT system using SIMIND Monte Carlo program to acquire its experimental characterization in terms of energy resolution, sensitivity, spatial resolution and imaging of phantoms using 99m Tc. The experimental and simulation data for SPECT imaging was acquired from a point source and Jaszczak phantom. Verification of the simulation was done by comparing two sets of images and related data obtained from the actual and simulated systems. Image quality was assessed by comparing image contrast and resolution. Simulated and measured energy spectra (with or without a collimator) and spatial resolution from point sources in air were compared. The resulted energy spectra present similar peaks for the gamma energy of 99m Tc at 140 KeV. FWHM for the simulation calculated to 14.01 KeV and 13.80 KeV for experimental data, corresponding to energy resolution of 10.01 and 9.86% compared to defined 9.9% for both systems, respectively. Sensitivities of the real and virtual gamma cameras were calculated to 85.11 and 85.39 cps/MBq, respectively. The energy spectra of both simulated and real gamma cameras were matched. Images obtained from Jaszczak phantom, experimentally and by simulation, showed similarly in contrast and resolution. SIMIND Monte Carlo could successfully simulate the Siemens E.CAM gamma camera. The results validate the use of the simulated system for further investigation, including modification, planning, and developing a SPECT system to improve the quality of images. (author)
Koo, Ja-Ho; Kim, Jhoon; Lee, Jaehwa; Eck, Thomas F.; Lee, Yun Gon; Park, Sang Seo; Kim, Mijin; Jung, Ukkyo; Yoon, Jongmin; Mok, Jungbin; Cho, Hi-Ku
2016-11-01
Absorption and scattering characteristics of various aerosol events are investigated using 2-years of measurements from a skyradiometer at Yonsei University in Seoul, Korea. Both transported dust and anthropogenic aerosols are observed at distinct geo-location of Seoul, a megacity located a few thousand kilometers away from dust source regions in China. We focus on the wavelength dependence of Ångström exponent (AE) and single scattering albedo (SSA), showing the characteristics of regional aerosols. The correlation between spectral SSAs and AEs calculated using different wavelength pairs generally indicates relatively weak absorption of fine-mode aerosols (urban pollution and/or biomass burning) and strong absorption of coarse-mode aerosols (desert dust) at this location. AE ratio (AER), a ratio of AEs calculated using wavelength pair between shorter (340-675 nm) and longer wavelength pair (675-1020 nm) correlates differently with SSA according to the dominant size of local aerosols. Correlations between SSA and AER show strong absorption of aerosols for AER 2.0. Based on the seasonal pattern of wavelength dependence of AER and SSA, this correlation difference looks to reveal the separated characteristics of transported dust and anthropogenic particles from urban pollution respectively. The seasonal characteristics of AER and SSAs also show that the skyradiometer measurement with multiple wavelengths may be able to detect the water soluble brown carbon, one of the important secondary organic aerosols in the summertime atmospheric composition.
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.
Simulations of the Light Scattering Properties of Metal/Oxide Core/Shell Nanospheres
Directory of Open Access Journals (Sweden)
F. Ruffino
2014-01-01
Full Text Available 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 nanostructures. In particular, we report theoretical results of angle-dependent light scattering intensity and scattering efficiency for Ag/Ag2O, Al/Al2O2, Cu/Cu2O, Pd/PdO, and Ti/TiO2 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.
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.
Magazú, S.; Migliardo, F.; Affouard, F.; Descamps, M.; Telling, M. T. F.
2010-05-01
In this work inelastic neutron scattering (INS) and quasielastic neutron scattering (QENS) data, collected at different temperature values by the OSIRIS and IRIS spectrometers at the ISIS Facility (Rutherford Appleton Laboratory, Oxford, UK) on mixtures of two glass-forming bioprotectant systems, i.e., trehalose and glycerol, as a function of concentration are presented. The data analyses show that the fast local dynamics, measured by INS, as well as the diffusive dynamics, measured by QENS, exhibit in the investigated mixtures a switching-off maximum in the same concentration range corresponding to a very low glycerol content. This effect can be accounted for by a not-ideal mixing process of the pure constituents due to an increased hydrogen bonding network strength. The experimental studies are completed by molecular dynamics simulation findings.
Henderson, M. G.; Morley, S.; Cunningham, G.; Tu, W.; Reeves, G. D.; Fennell, J. F.; Claudepierre, S. G.; Blake, J. B.; Spence, H.; Baker, D. N.
2013-12-01
In realistic asymmetric magnetic fields, particles with different pitch angles starting on the same field line will trace out different drift shells. As a result of this drift shell splitting, pitch angle scattering automatically leads to additional radial diffusion. At a given position on a drift shell, the instantaneous DLL associated with this process is related to the gradient of L* with respect to equatorial pitch angle and the local value of the bounce averaged Daa diffusion coefficient. The final DLL associated with pitch angle scattering is then obtained by drift averaging. We show initial results of computed DLL coefficients and simulations using the DREAM diffusion code. The results are compared with Phase Space Densities measured with the recently launched Van Allen Probes.
Surface-enhanced Raman scattering from a single molecularly bridged silver nanoparticle aggregate
Czech Academy of Sciences Publication Activity Database
Sládková, M.; Vlčková, B.; Pavel, I.; Šišková, Karolína; Šlouf, Miroslav
924-26, SI (2009), s. 567-570 ISSN 0022-2860. [European Congress on Molecular Spectroscopy /29./. Opatija, 31.08.2008-05.09.2008] R&D Projects: GA ČR GA203/07/0717; GA AV ČR KAN100500652 Institutional research plan: CEZ:AV0Z40500505 Keywords : single molecule SERS * 4,4"-diaminoterphenyl * molecularly bridget Ag nanoparticle aggregates Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.551, year: 2009
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
Pulsed laser simulation of VLSI single-event effect testing study
International Nuclear Information System (INIS)
Xue Yuxiong; Cao Zhou Yang Shiyu; Tian Kai; Liu Shufen; Chu Nan; Cao Haining; Shang Zhi
2008-01-01
This paper describes a study aimed at investigating the pulsed laser simulation of Single-Event Effect (SEE) testing for VLSI Intel386EX CPU, using our laboratory LSS (laser simulation system). We have detailed SEE testing principle, testing method, testing system constituting, testing result. It validates that our laser pulses simulate may use SEE testing in VLSI, and Intel 386Ex have a large locking resistance to single event. (authors)
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.
Small angle neutron scattering at very high time resolution: Principle and simulations of 'TISANE'
International Nuclear Information System (INIS)
Kipping, D.; Gaehler, R.; Habicht, K.
2008-01-01
The time resolution of SANS experiments is generally limited by frame overlap to some ms. We report on a new time-resolved stroboscopic SANS method, called TISANE, offering μs time resolution without a major sacrifice in intensity by making use of very large frame overlap. We may explore a new field in neutron scattering and complement the emerging field of time resolved small angle X-ray scattering. Here we discuss the principle of TISANE, its mathematical treatment and its limitations
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.
Evidence of low intermolecular coupling in rubrene single crystals by Raman scattering
International Nuclear Information System (INIS)
Weinberg-Wolf, J R; McNeil, L E; Liu Shubin; Kloc, Christian
2007-01-01
The observed Raman spectra for single crystals of rubrene and tetracene are compared with the calculated spectra for the isolated molecules. The Raman measurements presented are of the bulk properties of the material, and they confirmed that the vapour growth process yields very pure, unstrained rubrene crystals. Finally, Raman measurements indicate that rubrene, unlike many other oligoacenes, has very weak intermolecular coupling and no observable intermolecular Raman vibrational modes. We discuss the apparent conflict between the high mobility and the weak π-electron overlap in this material
Neutron scattering investigation of the magnetic order in single crystalline BaFe2As2
Kofu, M.; Qiu, Y.; Bao, Wei; Lee, S. -H.; Chang, S.; Wu, T.; Wu, G.; Chen, X. H.
2009-01-01
The magnetic structure of BaFe2As2 was completely determined from polycrystalline neutron diffraction measurements soon after the ThCr2Si2-type FeAs-based superconductors were discovered. Both the moment direction and the in-plane antiferromagnetic wavevector are along the longer a-axis of the orthorhombic unit cell. There is only one combined magnetostructural transition at about 140 K. However, a later single-crystal neutron diffraction work reported contradicting results. Here we show neut...
Cheng, Y. F.; Berghof, M.; Garland, R. M.; Wiedensohler, A.; Wehner, B.; Müller, T.; Su, H.; Zhang, Y. H.; Achtert, P.; Nowak, A.; PöSchl, U.; Zhu, T.; Hu, M.; Zeng, L. M.
2009-01-01
An aerosol optical closure study was performed using the observed high time- and size-resolved soot mixing states determined by a Volatility Tandem Differential Mobility Analyzer (VTDMA) at a polluted regional site, Yufa, in the south of Beijing during the summer of 2006. Good agreement was found between the simulated and measured aerosol absorption (σap, R = 0.9) and scattering (σsp, R ≥ 0.95). The soot mixing state at Yufa can be generally determined by VTDMA, in terms of properly predicting the σap using a simple optical model combined with spherical homogeneous and core-shell coated Mie codes. The possible uncertainties in the modeled σap were discussed. Rapid soot aging was observed, which led to large variations in the fractional contributions to σap by externally mixed and coated soot. On average, about 37% of the σap (˜10-60%) arose by the coated soot. The coating enhancement in σap and σsp of the coated soot can reach up to a factor of 8-10 within several hours owing to the secondary processing during daytime. It was contributed not only by the increased thickness of coating shell, but also the transition of soot from externally mixed to coated one. Hence, assuming constant soot mixing state for the regional climate model is not realistic and may lead to uncertainties. In the highly polluted region in northeastern China, the aerosol single scattering albedo may increase very fast owing to the rapid secondary particle formation and condensation (up to 0.90-0.95). This increase took place although the concurrent coating processing enhanced the light absorption capability of soot.
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
photons, enabling spectral analysis of X-ray images. This technique is useful to extract efficiently more information on energy dependent quantities (e.g. mass attenuations coefficients) and study matter interactions (e.g. X-ray scattering, photoelectric absorption, etc...). Having a good knowledge...
Monte-Carlo simulation of soil carbon measurements by inelastic neutron scattering
Measuring soil carbon is critical for assessing the potential impact of different land management practices on carbon sequestration. The inelastic neutron scattering (INS) of fast neutrons (with energy around 14 MeV) on carbon-12 nuclei produces gamma rays with energy of 4.43 MeV; this gamma flux ca...
Monte Carlo simulation of elastic and inelastic scattering of electrons in thin films
International Nuclear Information System (INIS)
Desalvo, A.; Parisini, A.; Rosa, R.
1984-01-01
A Monte Carlo computer program which takes into account both elastic and inelastic scattering of electrons has been set up, and is limited to valence electron losses. These are described through three models. Calculations were performed for 100 keV electrons in silicon, with thickness varying from 850 to 2550 A, i.e. from 1 to 3 total mean free paths. (author)
Van Heijkamp, L.F.
2011-01-01
In this study non-invasive neutron scattering techniques are used on soft condensed matter, probing colloidal length scales. Neutrons penetrate deeply into matter and have a different interaction with hydrogen and deuterium, allowing for tunable contrast using light and heavy water as solvents. The
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
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)
International Nuclear Information System (INIS)
Vu, H. X.; DuBois, D. F.; Bezzerides, B.
2007-01-01
The rapid onset, with increasing laser intensity, of levels of backward stimulated Raman scattering (BSRS) exceeding linear convective predictions, from single laser hot spots was predicted by simulations [Vu et al., Phys. Plasmas 9, 1745 (2002)], and has been observed [Montgomery et al., Phys. Plasmas 9, 2311 (2002)] in nonlinear regimes dominated by electron trapping. A theory for this inflation threshold is given here. The threshold is the result of competition between velocity diffusion and trapping, and is exceeded when the convectively amplified SRS Langmuir wave (LW) achieves an amplitude for which the coherent trapping velocity increment of electrons in the LW (the half-width of the trapping separatrix) exceeds the rms diffusion velocity (resulting from background plasma fluctuations), accumulated in one bounce time, for electrons with mean velocities near the phase velocity of the LW. The results of this theory, when the kinetic theory of the one-dimensional (1D) reduced-description particle-in-cell (RPIC) simulation is used, are in good agreement with a series of 1D RPIC simulations. The theory is naturally generalized to three dimensions, and is compatible with macroscopic laser interaction codes such as pF3d [Berger et al., Phys. Plasmas 5, 4337 (1998)]. Comparison of the LW trapping-induced inflation threshold to the LW threshold for the Langmuir decay instability provides an estimate for the transition between nonlinear saturation regimes. In an independent hot spot model of many hot spots, statistics suggests that the inflation threshold intensity will control the rapid onset of strong BSRS in laser beams smoothed by random phase plates
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
DEFF Research Database (Denmark)
Hansen, Flemming Yssing; Criswell, L.; Fuhrmann, D
2004-01-01
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.......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...
Resonant magneto-optic Kerr effects of a single Ni nanorod in the Mie scattering regime.
Jeong, Ho-Jin; Kim, Dongha; Song, Jung-Hwan; Jeong, Kwang-Yong; Seo, Min-Kyo
2016-07-25
We present a systematic, theoretical investigation of the polar magneto-optical (MO) Kerr effects of a single Ni nanorod in the Mie regime. The MO Kerr rotation, ellipticity, amplitude ratio, and phase shift are calculated as a function of the length and width of the nanorod. The electric field amplitude ratio of the MO Kerr effect is locally maximized when the nanorod supports a plasmonic resonance in the polarization state orthogonal to the incident light. The plasmonic resonances directly induced by the incident light do not enhance the amplitude ratio. In the Mie regime, multiple local maxima of the MO Kerr activity are supported by the resonant modes with different modal characteristics. From the viewpoint of first-order perturbation analysis, the spatial overlap between the incident-light-induced electric field and the Green function determines the local maxima.
Design and simulations of highly efficient single-photon sources
DEFF Research Database (Denmark)
Gregersen, Niels; de Lasson, Jakob Rosenkrantz; Mørk, Jesper
The realization of the highly-efficient single-photon source represents not only an experimental, but also a numerical challenge. We will present the theory of the waveguide QED approach, the design challenges and the current limitations. Additionally, the important numerical challenges in the si......The realization of the highly-efficient single-photon source represents not only an experimental, but also a numerical challenge. We will present the theory of the waveguide QED approach, the design challenges and the current limitations. Additionally, the important numerical challenges...
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.
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.
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
International Nuclear Information System (INIS)
TANNENBAUM, M.J.
2005-01-01
Hard scattering in p-p collisions, discovered at the CERN ISR in 1972 by the method of leading particles, proved that the partons of Deeply Inelastic Scattering strongly interacted with each other. Further ISR measurements utilizing inclusive single or pairs of hadrons established that high p T particles are produced from states with two roughly back-to-back jets which are the result of scattering of constituents of the nucleons as described by Quantum Chromodynamics (QCD), which was developed during the course of these measurements. These techniques, which are the only practical method to study hard-scattering and jet phenomena in Au+Au central collisions at RHIC energies, are reviewed, as an introduction to present RHIC measurements
First- and second-order Raman scattering from MoTe2 single crystal
Caramazza, Simone; Collina, Arianna; Stellino, Elena; Ripanti, Francesca; Dore, Paolo; Postorino, Paolo
2018-02-01
We report on Raman experiments performed on a MoTe2 single crystal. The system belongs to the wide family of transition metal dichalcogenides which includes several of the most interesting two-dimensional materials for both basic and applied physics. Measurements were performed in the standard basal plane configuration, by placing the ab plane of the crystal perpendicular to the wave vector k i of the incident beam to explore the in-plane vibrational modes, and in the edge plane configuration with k i perpendicular to the crystal c axis, thus mainly exciting out-of-plane modes. For both configurations we performed a polarization-dependent study of the first-order Raman components and detailed computation of the corresponding selection rules. We were thus able to provide a complete assignment of the observed first-order Raman peaks, in agreement with previous literature results. A thorough analysis of the second-order Raman bands, as observed in both basal and edge plane configurations, provides new information and allows a precise assignment of these spectral structures. In particular, we have observed and assigned Raman active modes of the M point of the Brillouin zone previously predicted by ab initio calculations but never previously measured.
Mie Scattering by Ensembles of Particles with Very Large Size Parameters
Wolf, S.; Voshchinnikov, N. V.
2004-01-01
We present a computer program for the simulation of Mie scattering in case of arbitrarily large size parameters. The elements of the scattering matrix, efficiency factors as well as the corresponding cross sections, the albedo and the scattering asymmetry parameter are calculated. Single particles as well as particle ensembles consisting of several components and particle size distributions can be considered.
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)
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.
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.
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.
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.
Small angle neutron scattering study of the magnetic flux-line lattice in single crystal 2H-NbSe2
DEFF Research Database (Denmark)
Gammel, P.L.; Huse, D.A.; Kleiman, R.N.
1994-01-01
We report on a small angle neutron scattering study of the flux-line lattice in single crystal 2H-NbSe2. As the magnetic field is tilted away from the crystalline c axis, we find distortions in the flux lattice as would be expected for a mass anisotropy GAMMA = 10.1 +/- 0.9. However, we find...
Energy Technology Data Exchange (ETDEWEB)
Yang Yongxu (Dept. of Physics, Guangxi Normal Univ., Guilin (China)); Li Qingrun (CCAST (World Lab.), Inst. of High Energy Physics, Academia Sinica, Beijing (China))
1993-02-20
The differential cross-sections for [alpha]+[sup 16]O elastic scattering near E/A=12 and 7MeV have been calculated employing a single-folding potential based on the [alpha]-particle model for [sup 16]O. The calculated results are in good agreement with the experimental data. (orig.).
Directory of Open Access Journals (Sweden)
Boucher Yann G.
2017-01-01
Full Text Available In terms of Linear Algebra, a directional coupler between a single-mode waveguide and a two-mode waveguide can be thought of as formally equivalent to a set of three mutually coupled single-mode waveguides. Its responses, easily derived in the frame of ternary Coupled-Mode Theory, are used to establish analytically the scattering parameters of a hybrid ring-based modal multiplexer.
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
DS-a 3D graphics simulation program for single-crystal diffractometry
International Nuclear Information System (INIS)
Zheng Chaode; Min Yao; Tanaka, I.
1995-01-01
A brief description of a 3D graphics simulation program for single-crystal diffractometry is presented. The program displays both χ- and κ-type diffractometers with a zero-dimensional (conventional) counter or a two-dimensional area detector and simulates the process of data collection. This program has been designed for assisting actual data collection using these devices, but it could also be useful as a tutorial aid for those starting to learn single-crystal diffractometry. (orig.)
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)
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)
Johnson, M.R. [Institut Laue Langevin, BP156, 38042 Grenoble (France)], E-mail: johnson@ill.fr; Trommsdorff, H.P. [Institut Laue Langevin, BP156, 38042 Grenoble (France); Laboratoire de Spectrometrie Physique, Universite J. Fourier de Grenoble, CNRS(UMR5588), BP87, 38402 St Martin d' Heres Cedex (France)], E-mail: trommsdorff@ill.fr
2009-01-27
Vibrational spectra of crystalline powder of four isotopologues of formic acid (HCOOH, HCOOD, DCOOH, DCOOD) and of acetic acid (CH{sub 3}COOH, CH{sub 3}COOD, CD{sub 3}COOH, CD{sub 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.
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
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...
Simulation aided hardening of N-channel power MOSFETs to prevent single event burnout
International Nuclear Information System (INIS)
Dachs, C.; Palau, J.M.; Bruguier, G.; Gasiot, J.; Roubaud, F.; Tastet, P.; Calvet, M.C.; Calvel, P.
1995-01-01
2D MEDICI simulator is used to investigate hardening solutions to single-event burnout (SEB). SEB parametric dependencies such as carrier lifetime reduction, base enlargement, and emitter doping decrease have been verified and a p + plug modification approach for SEB hardening of power MOSFETs is validated with simulations on actual device structures
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
Use of Single-Layer g-C3N4/Ag Hybrids for Surface-Enhanced Raman Scattering (SERS).
Jiang, Jizhou; Zou, Jing; Wee, Andrew Thye Shen; Zhang, Wenjing
2016-09-30
Surface-enhanced Raman scattering (SERS) substrates with high activity and stability are desirable for SERS sensing. Here, we report a new single atomic layer graphitic-C 3 N 4 (S-g-C 3 N 4 ) and Ag nanoparticles (NPs) hybrid as high-performance SERS substrates. The SERS mechanism of the highly stable S-g-C 3 N 4 /Ag substrates was systematically investigated by a combination of experiments and theoretical calculations. From the results of XPS and Raman spectroscopies, it was found that there was a strong interaction between S-g-C 3 N 4 and Ag NPs, which facilitates the uniform distribution of Ag NPs over the edges and surfaces of S-g-C 3 N 4 nanosheets, and induces a charge transfer from S-g-C 3 N 4 to the oxidizing agent through the silver surface, ultimately protecting Ag NPs from oxidation. Based on the theoretical calculations, we found that the net surface charge of the Ag atoms on the S-g-C 3 N 4 /Ag substrates was positive and the Ag NPs presented high dispersibility, suggesting that the Ag atoms on the S-g-C 3 N 4 /Ag substrates were not likely to be oxidized, thereby ensuring the high stability of the S-g-C 3 N 4 /Ag substrate. An understanding of the stability mechanism in this system can be helpful for developing other effective SERS substrates with long-term stability.
Mei, Liang; Guan, Peng; Yang, Yang; Kong, Zheng
2017-08-07
An 808 nm single-band Mie scattering Scheimpflug lidar system is developed in Dalian, Northern China, for real-time, large-area atmospheric aerosol/particle remote sensing. Atmospheric measurement has been performed in urban area during a typical haze weather condition, and time-range distribution of atmospheric backscattering signal is recorded from March 18th to 22nd, 2017, by employing the Scheimpflug lidar system. Atmospheric extinction coefficient is then retrieved according to the Klett-inversion algorithm, while the boundary value is obtained by the slope-method in the far end where the atmosphere is homogeneous in a subinterval region. The correlation between the extinction coefficients retrieved from the Scheimpflug lidar technique and the PM10/PM2.5 concentrations measured by a conventional air pollution monitoring station is also studied. The good agreement between the measurement results, i.e., a correlation coefficient of 0.85, successfully demonstrates the feasibility and great potential of the Scheimpflug lidar technique for atmospheric studies and applications.
International Nuclear Information System (INIS)
Freund, A K; Rehm, C
2014-01-01
The present study has been conducted in the framework of the channel-cut crystal design for the Kookaburra ultra-small-angle neutron scattering (USANS) instrument to be installed at the OPAL reactor of ANSTO. This facility is based on the classical Bonse-Hart method that uses two multiple-reflection crystal systems. The dynamical theory of diffraction by perfect crystals distinguishes two cases: the Darwin case applying to infinitely thick crystals and the Ewald solution for very small absorption taking into account the reflection from the rear face of a plane-parallel crystal reflecting in Bragg geometry. The former is preferable because it yields narrower rocking curves. To prevent the neutrons to 'see' the rear face, grooves were machined into the backside of perfect Si test crystals for single reflection and filled with neutron absorbing material. These samples were examined at the S18 instrument of the Institut Laue-Langevin. Unexpectedly the crystals with empty slots showed an increase of the rocking curve width. When filling the slots with an absorber the widths decreased, but without reaching that of the Darwin curve. Understanding the results and achieving a successful crystal design call for the development of a theory that permits to describe neutron diffraction from crystals with a structured back face.
Freund, A. K.; Rehm, C.
2014-07-01
The present study has been conducted in the framework of the channel-cut crystal design for the Kookaburra ultra-small-angle neutron scattering (USANS) instrument to be installed at the OPAL reactor of ANSTO. This facility is based on the classical Bonse-Hart method that uses two multiple-reflection crystal systems. The dynamical theory of diffraction by perfect crystals distinguishes two cases: the Darwin case applying to infinitely thick crystals and the Ewald solution for very small absorption taking into account the reflection from the rear face of a plane-parallel crystal reflecting in Bragg geometry. The former is preferable because it yields narrower rocking curves. To prevent the neutrons to "see" the rear face, grooves were machined into the backside of perfect Si test crystals for single reflection and filled with neutron absorbing material. These samples were examined at the S18 instrument of the Institut Laue-Langevin. Unexpectedly the crystals with empty slots showed an increase of the rocking curve width. When filling the slots with an absorber the widths decreased, but without reaching that of the Darwin curve. Understanding the results and achieving a successful crystal design call for the development of a theory that permits to describe neutron diffraction from crystals with a structured back face.
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.
DEFF Research Database (Denmark)
Farhi, E.; Y., Debab,; Willendrup, Peter Kjær
2014-01-01
We present a new tool, iFit, which uses a single object class to hold any data set, and provides an extensive list of methods to import and export data, view, manipulate, apply mathematical operators, optimize problems and fit models to the data sets. Currently implemented using Matlab®, the tool......We present a new tool, iFit, which uses a single object class to hold any data set, and provides an extensive list of methods to import and export data, view, manipulate, apply mathematical operators, optimize problems and fit models to the data sets. Currently implemented using Matlab...... 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...... to the conventional data reduction and analysis procedures, this new methodology is able to intrinsically account for most of the experimental effects, and results in the sample only model, de-convolved from the instrument....
High magnetic field susceptibility and neutron scattering measurements for ZnFe2O4 single crystal
International Nuclear Information System (INIS)
Kamazawa, Kazuya; Nakajima, Kenji; Kohn, Key; Tsunoda, Yorihiko
2004-01-01
We studied field dependences of magnetic susceptibility and neutron scattering measurements for frustrated normal spinel ZnFe 2 O 4 . Although a peak which is similar to the antiferromagnetic transition is observed at 13 K in the magnetic susceptibility, there is no magnetic long-range order in our neutron scattering measurements. When we measure the magnetic susceptibility under the high magnetic field, the peak position moves toward the high temperature. In the neutron scattering measurements, magnetic diffuse scattering around the nuclear Bragg peaks disappear under the magnetic field of 3 T
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...
Modeling and simulation of the zinc-nickel single flow batteries based on MATLAB/Simulink
Directory of Open Access Journals (Sweden)
Shouguang Yao
2016-12-01
Full Text Available Based on the working principle of the zinc-nickel single flow batteries (ZNBs, this paper builds the electrochemical model and mechanical model, analyzes the effect of electrolyte flux on the battery performance and obtains a single cell with a 216 Ah charge-discharge capacity as an example, and thereafter conducts a simulation to obtain several results under the condition of constant current charge and discharge. The simulation results are well matched in comparison with the experimental results. An optimal flux exists during the charge and discharge, which indicates that the model can well simulate the charge and discharge characteristics of the ZNBs under the condition of constant current.
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
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.
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.
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.
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.
Directory of Open Access Journals (Sweden)
D. A. Lack
2010-05-01
Full Text Available The presence of clear coatings on atmospheric black carbon (BC particles is known to enhance the magnitude of light absorption by the BC cores. Based on calculations using core/shell Mie theory, we demonstrate that the enhancement of light absorption (E_{Abs} by atmospheric black carbon (BC when it is coated in mildly absorbing material (C_{Brown} is reduced relative to the enhancement induced by non-absorbing coatings (C_{Clear}. This reduction, sensitive to both the C_{Brown} coating thickness and imaginary refractive index (RI, can be up to 50% for 400 nm radiation and 25% averaged across the visible radiation spectrum for reasonable core/shell diameters. The enhanced direct radiative forcing possible due to the enhancement effect of C_{Clear} is therefore reduced if the coating is absorbing. Additionally, the need to explicitly treat BC as an internal, as opposed to external, mixture with C_{Brown} is shown to be important to the calculated single scatter albedo only when models treat BC as large spherical cores (>50 nm. For smaller BC cores (or fractal agglomerates consideration of the BC and C_{Brown} as an external mixture leads to relatively small errors in the particle single scatter albedo of <0.03. It has often been assumed that observation of an absorption Angström exponent (AAE>1 indicates absorption by a non-BC aerosol. Here, it is shown that BC cores coated in C_{Clear} can reasonably have an AAE of up to 1.6, a result that complicates the attribution of observed light absorption to C_{Brown} within ambient particles. However, an AAE<1.6 does not exclude the possibility of C_{Brown}; rather C_{Brown} cannot be confidently assigned unless AAE>1.6. Comparison of these model
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
de Mul, F.F.M.; Steenbergen, Wiendelt; Greve, Jan
1999-01-01
Doppler Monte Carlo (DMC) simulations of the transport of light through turbid media, e.g., tissue, can be used to predict or to interpret measurements of the blood perfusion of tissue by laser‐Doppler perfusion flowmetry. We describe the physical and mathematical background of Doppler Monte Carlo
Krotkov, Nickolay A.; Bhartia, Pawan K.; Herman, Jay R.; Slusser, James R.; Scott, Gwendolyn R.; Labow, Gordon J.; Vasilkov, Alexander P.; Eck, Tom; Doubovik, Oleg; Holben, Brent N.
2005-04-01
Compared to the visible spectral region, very little is known about aerosol absorption in the UV. Without such information it is impossible to quantify the causes of the observed discrepancy between modeled and measured UV irradiances and photolysis rates. We report results of a 17-month aerosol column absorption monitoring experiment conducted in Greenbelt, Maryland, where the imaginary part of effective refractive index k was inferred from the measurements of direct and diffuse atmospheric transmittances by a UV-multifilter rotating shadowband radiometer [UV-MFRSR, U.S. Department of Agriculture (USDA) UV-B Monitoring and Research Network]. Colocated ancillary measurements of aerosol effective particle size distribution and refractive index in the visible wavelengths [by CIMEL sun-sky radiometers, National Aeronautics and Space Administration (NASA) Aerosol Robotic Network (AERONET)], column ozone, surface pressure, and albedo constrain the forward radiative transfer model input, so that a unique solution for k is obtained independently in each UV-MFRSR spectral channel. Inferred values of k are systematically larger in the UV than in the visible wavelengths. The inferred k values enable calculation of the single scattering albedo ω, which is compared with AERONET inversions in the visible wavelengths. On cloud-free days with high aerosol loadings [τext(440)>0.4], ω is systematically lower at 368 nm (=0.94) than at 440 nm (=0.96), however, the mean ω differences (0.02) are within expected uncertainties of ω retrievals (~0.03). The inferred ω is even lower at shorter UV wavelengths (~=0.92), which might suggest the presence of selectively UV absorbing aerosols. We also find that decreases with decrease in aerosol loading. This could be due to real changes in the average aerosol composition between summer and winter months at the Goddard Space Flight Center (GSFC) site.
Directory of Open Access Journals (Sweden)
Chalinee Thanasupsombat
2018-01-01
Full Text Available The quality of images obtained from cone-beam computed tomography (CBCT is important in diagnosis and treatment planning for dental and maxillofacial applications. However, X-ray scattering inside a human head is one of the main factors that cause a drop in image quality, especially in the CBCT system with a wide-angle cone-beam X-ray source and a large area detector. In this study, the X-ray scattering distribution within a standard head phantom was estimated using the Monte Carlo method based on Geant4. Due to small variation of low-frequency scattering signals, the scattering signals from the head phantom can be represented as the simple predetermined scattering signals from a patient’s head and subtracted the projection data for scatter reduction. The results showed higher contrast and less cupping artifacts on the reconstructed images of the head phantom and real patients. Furthermore, the same simulated scattering signals can also be applied to process with higher-resolution projection data.
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
Forssten, S D; Ouwehand, A C
2017-01-01
Background : Probiotic formulations can be single- or multi-strain. Commercially, multi-strain preparations have been suggested to have improved functionality over single-strain cultures. Probiotics are often tested as single-strain preparations but may subsequently be commercially formulated as multi-strain products. Objective : The aim of this study was to determine what happens at the site of action, the intestine, with probiotics as single- compared to multi-strain preparations. The human gastrointestinal tract contains a broad mixture of different microbes which may affect the survival of different probiotics in different ways. Design : The current study was performed to evaluate, in an in vitro colon simulation, whether probiotics influence each other's survival when they are taken as a combination of several strains (HOWARU Restore; Lactobacillus acidophilus NCFM, Lactobacillus paracasei Lpc-37, Bifidobacterium lactis Bl-04 and B. lactis Bi-07) compared to the strains as single preparations. Results : All strains could be detected after the colon simulations and there were no substantial differences in levels of the same strain when comparing single- and multi-strain products. Conclusions : It can be concluded that probiotics do not have an antagonistic effect on each other's survival when used in a multi-strain product compared to a single-strain product, at least within a microbiota in a simulated colonic environment.
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
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
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...
Tarek, M; Tobias, D J
2000-12-01
We present results from an extensive molecular dynamics simulation study of water hydrating the protein Ribonuclease A, at a series of temperatures in cluster, crystal, and powder environments. The dynamics of protein hydration water appear to be very similar in crystal and powder environments at moderate to high hydration levels. Thus, we contend that experiments performed on powder samples are appropriate for discussing hydration water dynamics in native protein environments. Our analysis reveals that simulations performed on cluster models consisting of proteins surrounded by a finite water shell with free boundaries are not appropriate for the study of the solvent dynamics. Detailed comparison to available x-ray diffraction and inelastic neutron-scattering data shows that current generation force fields are capable of accurately reproducing the structural and dynamical observables. On the time scale of tens of picoseconds, at room temperature and high hydration, significant water translational diffusion and rotational motion occur. At low hydration, the water molecules are translationally confined but display appreciable rotational motion. Below the protein dynamical transition temperature, both translational and rotational motions of the water molecules are essentially arrested. Taken together, these results suggest that water translational motion is necessary for the structural relaxation that permits anharmonic and diffusive motions in proteins. Furthermore, it appears that the exchange of protein-water hydrogen bonds by water rotational/librational motion is not sufficient to permit protein structural relaxation. Rather, the complete exchange of protein-bound water molecules by translational displacement seems to be required.
Li, Song; Zhao, Xiongce; Mo, Yiming; Cummings, Peter T.; Heller, William T.
2013-07-01
Concern about the toxicity of engineered nanoparticles, such as the prototypical nanomaterial C60 fullerene, continues to grow. While, evidence continues to mount that C60 and its derivatives may pose health hazards, the specific molecular interactions of these particles with biological macromolecules require further investigation. In this article, we report combined experimental and theoretical studies on the interaction of one of the most prevalent proteins in the human body, human serum albumin (HSA), with C60 in an aqueous environment. The C60-HSA interaction was probed by circular dichroism (CD) spectroscopy, small-angle neutron scattering (SANS), and atomistic molecular dynamics (MD) simulations to understand C60-driven changes in the structure of HSA in solution. The CD spectroscopy demonstrates that the secondary structure of the protein decreases in α-helical content in response to the presence of C60 (0.68 nm in diameter). Similarly, C60 produces subtle changes in the solution conformation of HSA (an 8.0 nm × 3.8 nm protein), as evidenced by the SANS data and MD simulations, but the data do not indicate that C60 changes the oligomerization state of the protein, such as by inducing aggregation. The results demonstrate that the interaction is not highly disruptive to the protein in a manner that would prevent it from performing its physiological function.
International Nuclear Information System (INIS)
Li, Song; Zhao, Xiongce; Mo, Yiming; Cummings, Peter T.; Heller, William T.
2013-01-01
Concern about the toxicity of engineered nanoparticles, such as the prototypical nanomaterial C 60 fullerene, continues to grow. While, evidence continues to mount that C 60 and its derivatives may pose health hazards, the specific molecular interactions of these particles with biological macromolecules require further investigation. In this article, we report combined experimental and theoretical studies on the interaction of one of the most prevalent proteins in the human body, human serum albumin (HSA), with C 60 in an aqueous environment. The C 60 –HSA interaction was probed by circular dichroism (CD) spectroscopy, small-angle neutron scattering (SANS), and atomistic molecular dynamics (MD) simulations to understand C 60 -driven changes in the structure of HSA in solution. The CD spectroscopy demonstrates that the secondary structure of the protein decreases in α-helical content in response to the presence of C 60 (0.68 nm in diameter). Similarly, C 60 produces subtle changes in the solution conformation of HSA (an 8.0 nm × 3.8 nm protein), as evidenced by the SANS data and MD simulations, but the data do not indicate that C 60 changes the oligomerization state of the protein, such as by inducing aggregation. The results demonstrate that the interaction is not highly disruptive to the protein in a manner that would prevent it from performing its physiological function
Short-range energy budget simulator of single photon lidar demonstrator
Murtazin, Mark V.; Prochazka, Ivan; Blazej, Josef; Pershin, Sergey M.; Lednev, Vasily N.
2017-05-01
The compact single photon lidar demonstrator dedicated for asteroid rendezvous missions has been designed and realized in our laboratory two years ago. The instrument provides crucial data on altitude and terrain profile for altitudes exceeding 5 km with a precision of less than 10 cm fulfilling the Rayleigh criterion. One of the calibration procedure of demonstrator is the positioning of receiver and transmitter optics related to detector and laser and the aligning of transmitter and receiver optical common paths. To improve this particular indoor calibration procedure the new simulator of single photon energy budget during short range operation has been created. The comparison of simulated and experimental data will be presented and 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.
Energy Technology Data Exchange (ETDEWEB)
Duch, M. A.; Zaragoza, F. J.; Sempau, J.; Ginjaume, M.; Vano, E.; Sanchez, R.; Fernandez, J. M.
2013-07-01
The study shows that the MC simulation is a useful tool to facilitate the assessment of the spatial distribution of the dose due to the radiation scattered in interventional radiology procedures, as well as to determine the influence of various operational parameters in the same , avoiding experimental measures that require much time of use the Cath Labs. (Author)
Energy Technology Data Exchange (ETDEWEB)
Sim, Adelene Y.L.; Lipfert, Jan; Herschlag, Daniel; Doniach, Sebastian
2012-07-06
Short single-stranded nucleic acids are ubiquitous in biological processes and understanding their physical properties provides insights to nucleic acid folding and dynamics. We used small angle x-ray scattering to study 8-100 residue homopolymeric single-stranded DNAs in solution, without external forces or labeling probes. Poly-T's structural ensemble changes with increasing ionic strength in a manner consistent with a polyelectrolyte persistence length theory that accounts for molecular flexibility. For any number of residues, poly-A is consistently more elongated than poly-T, likely due to the tendency of A residues to form stronger base-stacking interactions than T residues.
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.
Effects of 1-hexanol on C12E10micelles: a molecular simulations and light scattering study.
Vierros, Sampsa; Sammalkorpi, Maria
2018-02-28
The micelles of the non-ionic C 12 E 10 surfactant and 1-hexanol as an aqueous solution additives are studied toward the purpose of understanding the role of alcohol additives in tuning the characteristics of alkyl-ethoxylate micellar systems. Our dynamic light scattering and cloud point experiments show that the addition of hexanol induces a response similar to an increase of temperature. We associate the change with increased attraction between the micelles at low to moderate hexanol loadings and a potential increase of the aggregate size at a high hexanol-to-surfactant ratio. Detailed molecular dynamic simulation characterization shows that hexanol solubilizes to a micelle palisade layer when the hexanol-to-C 12 E 10 ratio is less than or equal to 0.5 while swollen micelles, in which a part of hexanol forms an oil core, are present when the ratio increases above approximately 1.5. The simulations indicate that the surface of the micelles is rough. Formation of reverse hexanol structures akin to those found in bulk octanol is observed in the oil core. Molecular simulations associate the increase in attraction between micelles observed via the experiments with decreased chain density in the headgroup region. This density decrease is caused by hexanol molecules solubilized between neighbouring surfactants. Altogether, these findings provide detailed physical characterization of the effect of an archetypal solution additive, hexanol, on an alkyl ethoxylate micelle system. These findings could bear a significance in designing micellar and emulsion based systems with desired solution characteristics or properties for e.g. drug delivery, catalysis, or platforms for green chemistry reactions.
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.
Directory of Open Access Journals (Sweden)
D. Meloni
2006-01-01
Full Text Available Aerosol optical properties were retrieved from direct and diffuse spectral irradiance measurements made by a multi-filter rotating shadowband radiometer (MFRSR at the island of Lampedusa (35.5° N, 12.6° E, in the Central Mediterranean, in the period July 2001–September 2003. In a companion paper (Pace et al., 2006 the aerosol optical depth (AOD and Ångström exponent were used together with airmass backward trajectories to identify and classify different aerosol types. The MFRSR diffuse-to-direct ratio (DDR at 415.6 nm and 868.7 nm for aerosol classified as 'biomass burning-urban/industrial', originating primarily from the European continent, and desert dust, originating from the Sahara, is used in this study to estimate the aerosol single scattering albedo (SSA. A detailed radiative transfer model is initialised with the measured aerosol optical depth; calculations are performed at the two wavelengths varying the SSA values until the modelled DDR matches the MFRSR observations. Sensitivity studies are performed to estimate how uncertainties on AOD, DDR, asymmetry factor (g, and surface albedo influence the retrieved SSA values. The results show that a 3% variation of AOD or DDR produce a change of about 0.02 in the retrieved SSA value at 415.6 and 868.7 nm; a ±0.06 variation of the asymmetry factor g produces a change of the estimated SSA of <0.04 at 415.6 nm, and <0.06 at 868.7 nm; finally, an increase of the assumed surface albedo of 0.05 causes very small changes (0.01–0.02 in the retrieved SSA. The calculations show that the SSA of desert dust (DD increases with wavelength, from 0.81±0.05 at 415.6 nm to 0.94±0.05 at 868.7 nm; on the contrary, the SSA of urban/industrial (UN aerosols decreases from 0.96±0.02 at 415.6 nm to 0.87±0.07 at 868.7 nm; the SSA of biomass burning (BB particles is 0.82±0.04 at 415.6 nm and 0.80±0.05 at 868.7 nm. Episodes of UN aerosols occur usually in June and July; long lasting BB aerosol episodes
Giles, D. M.; Holben, B. N.; Eck, T. F.; Schafer, J.; Crawford, J. H.; Kim, J.; Sano, I.; Liew, S.; Salinas Cortijo, S. V.; Chew, B. N.; Lim, H.; Smirnov, A.; Sorokin, M.; Kenny, P.; Slutsker, I.
2013-12-01
Aerosols can have major implications on human health by inducing respiratory diseases due to inhalation of fine particles from biomass burning smoke or industrial pollution and on radiative forcing whereby the presence of absorbing aerosol particles (e.g., black carbon) increases atmospheric heating. Aerosol classification techniques have utilized aerosol loading and aerosol properties derived from multi-spectral and multi-angle observations by ground-based (e.g., AERONET) and satellite instrumentation (e.g., MISR). Aerosol Robotic Network (AERONET) data have been utilized to determine aerosol types by implementing various combinations of measured aerosol optical depth or retrieved size and absorption aerosol properties (e.g., Gobbi et al., 2007; Russell et al., 2010). Giles et al. [2012] showed single scattering albedo (SSA) relationship with extinction Angstrom exponent (EAE) can provide an estimate of the general classification of dominant aerosol types (i.e., desert dust, urban/industrial pollution, biomass burning smoke, and mixtures) based on data from ~20 AERONET sites located in known aerosol source regions. In addition, the absorption Angstrom exponent relationship with EAE can provide an indication of the dominant absorbing aerosol type such as dust, black carbon, brown carbon, or mixtures of them. These classification techniques are applied to the AERONET Level 2.0 quality assured data sets collected during Distributed Regional Aerosol Gridded Observational Network (DRAGON) campaigns in Maryland (USA), Japan, South Korea, Singapore, Penang (Malaysia), and California (USA). An analysis of aerosol type classification for DRAGON sites is performed as well as an assessment of the spatial variability of the aerosol types for selected DRAGON campaigns. Giles, D. M., B. N. Holben, T. F. Eck, A. Sinyuk, A. Smirnov, I. Slutsker, R. R. Dickerson, A. M. Thompson, and J. S. Schafer (2012), An analysis of AERONET aerosol absorption properties and classifications
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.
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.
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
2015-09-01
facility utilized a common rail fuel injection system with a Bosch CRIN3 fuel injector Table1. Conditions for non-evaporating single-hole spray...not selected because they were welded shut in our injector. Figure 1b shows the rendered image used in the simulation with a description of the
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...
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.
Corelli: Efficient single crystal diffraction with elastic discrimination
Indian Academy of Sciences (India)
corporates only the source, a pseudorandom chopper, a sample, and a single point detector at a fixed scattering angle. For the simulations we utilized parameters relevant to Corelli, the dedicated single crystal diffuse scattering instrument under development at SNS, i.e., facing the high-resolution water moderator [17], ...
Experimental study of multiple scattering in anisotropic titanium alloys
Baelde, Aurelien; Laurent, Jérôme; Coulette, Richard; Khalifa, Warida Ben; Duclos, Daniel; Jenson, Frédéric; Fink, Mathias; Prada, Claire
2017-02-01
Ultrasonic testing of jet engine titanium alloys is of high importance for the aircraft manufacturing industry. The quality of ultrasonic non-destructive testing is severely impacted by the titanium complex microstructure. These alloys have been extensively studied and single scattering models are now well known and implemented in ultrasonic propagation simulators. In addition, titanium billets and forged parts have been known to exhibit a highly anisotropic microstructure. We studied ultrasonic wave scattering in Ti17 forged disk, through statistical analysis of the backscattered noise generated by the microstructure. More specifically, we focused on the quantification of multiple scattering relative to single scattering in the backscattered wave. To that end, we used the full matrix capture acquisition with a linear transducer array. Two phenomena were used to quantify the proportion of single scattering with respect to multiple scattering. The first is the coherent backscattering effect, used as a binary indicator of multiple scattering. The second is a repurposed version of the multiple scattering filter, recently developed on random rod forest and applied on Inconel alloys. With these methods, significant level of multiple scattering was consistently measured in Ti17 forged disks, showing that ultrasonic testing could be enhanced by filtering the multiple scattering contribution.
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.
Kießling, N.; Bieberle, A.; Hampel, U.
2008-10-01
Limited energy resolution in scintillation type gamma ray detectors leads to systematic errors in photon counting because the pulse height discrimination stages cannot accurately discriminate interactions with full respectively partial deposition of isotopic emission energy. The resulting error is a systematic positive count rate offset originating from erroneously counted scattered photons. The origin of scattering may be the detector itself (scintillation crystals and other construction material) as well as components of the setup, including the object of investigation. In this article results of a simulation study are presented which was carried out to assess the role of different design parameters for the count rate accuracy of a high resolution gamma ray detector used for transmission tomography. Thereby the simulation software Geant4 Application for Emission Tomography (GATE) was used. As a target parameter we evaluated the radiation cross-talk, which is the amount of erroneously counted interactions from photons which have undergone Compton scattering in neighbouring crystals. For the given detector design it was found that cross-talk obtained from the simulated data is in good agreement with experimentally determined cross-talk. It could further be shown by virtual detector design changes that radiation cross-talk can be reduced only to a degree that would still require additional software correction measures, such as scattering correction algorithms, if quantitative accuracy it demanded.
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.
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.
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...
Polarized Raman scattering in single crystals of Nd0.7Sr0.3MnO3
Indian Academy of Sciences (India)
tization of NSMO 0.3 have shown the presence of magnetic disorder and spin frustration below TC [4]. Neutron scattering measurements show that the spin correlation length re- mains approximately 20 ˚A at TC and grows to 100 ˚A only at about 0.95TC [5]. Recent. NMR measurements have shown evidence for strong ...
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
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
Directory of Open Access Journals (Sweden)
Alexandr Nasedkin
Full Text Available The folding and unfolding of protein domains is an apparently cooperative process, but transient intermediates have been detected in some cases. Such (unfolding intermediates are challenging to investigate structurally as they are typically not long-lived and their role in the (unfolding reaction has often been questioned. One of the most well studied (unfolding pathways is that of Drosophila melanogaster Engrailed homeodomain (EnHD: this 61-residue protein forms a three helix bundle in the native state and folds via a helical intermediate. Here we used molecular dynamics simulations to derive sample conformations of EnHD in the native, intermediate, and unfolded states and selected the relevant structural clusters by comparing to small/wide angle X-ray scattering data at four different temperatures. The results are corroborated using residual dipolar couplings determined by NMR spectroscopy. Our results agree well with the previously proposed (unfolding pathway. However, they also suggest that the fully unfolded state is present at a low fraction throughout the investigated temperature interval, and that the (unfolding intermediate is highly populated at the thermal midpoint in line with the view that this intermediate can be regarded to be the denatured state under physiological conditions. Further, the combination of ensemble structural techniques with MD allows for determination of structures and populations of multiple interconverting structures in solution.
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
Conditioning geostatistical simulations of a bedrock fluvial aquifer using single well pumping tests
Niazi, A.; Bentley, L. R.; Hayashi, M.
2015-12-01
Geostatistical simulation is a powerful tool to explore the uncertainty associated with heterogeneity in groundwater and reservoir studies. Nonetheless, conditioning simulations merely with lithological information does not utilize all of the available information and so some workers additionally condition simulations with flow data. In this study, we introduce an approach to condition geostatistical simulations of the Paskapoo Formation, which is a paleo-fluvial system consisting of sandstone channels embedded in mudstone. The conditioning data consist of two-hour single well pumping tests extracted from the public water well database in Alberta, Canada. In this approach, lithologic models of an entire watershed are simulated and conditioned with hard lithological data using transition probability geostatistics (TPROGS). Then, a segment of the simulation around a pumping well was used to populate a flow model (FEFLOW) with either sand or mudstone. The values of the hydraulic conductivity and specific storage of sand and mudstone were then adjusted to minimize the difference between simulated and actual pumping test data using the parameter estimation program PEST. If the simulated data do not adequately match the measured data, the lithologic model is updated by locally deforming the lithology distribution using the probability perturbation method (PPM) and the model parameters are again updated with PEST. This procedure is repeated until the simulated and measured data agree within a pre-determined tolerance. The procedure is repeated for each pumping well that has pumping test data. The method constrains the lithological simulations and provides estimates of hydraulic conductivity and specific storage that are consistent with the pumping test data. Eventually, the simulations will be combined in watershed scale groundwater models.
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.
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.
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.
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
Acceleration of Monte Carlo-based scatter compensation for cardiac SPECT
Energy Technology Data Exchange (ETDEWEB)
Sohlberg, A; Watabe, H; Iida, H [National Cardiovascular Center Research Institute, 5-7-1 Fujishiro-dai, Suita City, 565-8565 Osaka (Japan)], E-mail: antti.sohlberg@hermesmedical.com
2008-07-21
Single proton emission computed tomography (SPECT) images are degraded by photon scatter making scatter compensation essential for accurate reconstruction. Reconstruction-based scatter compensation with Monte Carlo (MC) modelling of scatter shows promise for accurate scatter correction, but it is normally hampered by long computation times. The aim of this work was to accelerate the MC-based scatter compensation using coarse grid and intermittent scatter modelling. The acceleration methods were compared to un-accelerated implementation using MC-simulated projection data of the mathematical cardiac torso (MCAT) phantom modelling {sup 99m}Tc uptake and clinical myocardial perfusion studies. The results showed that when combined the acceleration methods reduced the reconstruction time for 10 ordered subset expectation maximization (OS-EM) iterations from 56 to 11 min without a significant reduction in image quality indicating that the coarse grid and intermittent scatter modelling are suitable for MC-based scatter compensation in cardiac SPECT. (note)
Zagorska, A.; Bliznakova, K.; Buchakliev, Z.
2015-09-01
In 2012, the International Commission on Radiological Protection has recommended a reduction of the dose limits to the eye lens for occupational exposure. Recent studies showed that in interventional rooms is possible to reach these limits especially without using protective equipment. The aim of this study was to calculate the scattered energy spectra distribution at the level of the operator's head. For this purpose, an in-house developed Monte Carlo-based computer application was used to design computational phantoms (patient and operator), the acquisition geometry as well as to simulate the photon transport through the designed system. The initial spectra from 70 kV tube voltage and 8 different filtrations were calculated according to the IPEM Report 78. An experimental study was carried out to verify the results from the simulations. The calculated scattered radiation distributions were compared to the initial incident on the patient spectra. Results showed that there is no large difference between the effective energies of the scattered spectra registered in front of the operator's head obtained from simulations of all 8 incident spectra. The results from the experimental study agreed well to simulations as well.
Schmiele, Martin; Schindler, Torben; Westermann, Martin; Steiniger, Frank; Radulescu, Aurel; Kriele, Armin; Gilles, Ralph; Unruh, Tobias
2014-07-24
Aqueous suspensions of platelet-like shaped tripalmitin nanocrystals are studied here at high tripalmitin concentrations (10 wt % tripalmitin) for the first time by a combination of small-angle X-ray and neutron scattering (SAXS and SANS). The suspensions are stabilized by different lecithins, namely, DLPC, DOPC, and the lecithin blend S100. At such high concentrations the platelets start to self-assemble in stacks, which causes interference maxima at low Q-values in the SAXS and SANS patterns, respectively. It is found that the stack-related interference maxima are more pronounced for the suspension stabilized with DOPC and in particular DLPC, compared to suspensions stabilized by S100. By use of the X-ray and neutron powder pattern simulation analysis (XNPPSA), the SAXS and SANS patterns of the native tripalmitin suspensions could only be reproduced simultaneously when assuming the presence of both isolated nanocrystals and stacks of nanocrystals of different size in the simulation model of the dispersions. By a fit of the simulated SAXS and SANS patterns to the experimental data, a distribution of the stack sizes and their volume fractions is determined. The volume fraction of stacklike platelet assemblies is found to rise from 70% for S100-stabilized suspensions to almost 100% for the DLPC-stabilized suspensions. The distribution of the platelet thicknesses could be determined with molecular resolution from a combined analysis of the SAXS and SANS patterns of the corresponding diluted tripalmitin (3 wt %) suspensions. In accordance with microcalorimetric data, it could be concluded that the platelets in the suspensions stabilized with DOPC, and in particular DLPC, are significantly thinner than those stabilized with S100. The DLPC-stabilized suspensions exhibit a significantly narrower platelet thickness distribution compared to DOPC- and S100-stabilized suspensions. The smaller thicknesses for the DLPC- and DOPC-stabilized platelets explain their higher
Monte Carlo simulation of a single detector unit for the neutron detector array NEDA
Energy Technology Data Exchange (ETDEWEB)
Jaworski, G. [Faculty of Physics, Warsaw University of Technology, ul. Koszykowa 75, 00-662 Warszawa (Poland); Heavy Ion Laboratory, University of Warsaw, ul. Pasteura 5A, PL 02-093 Warszawa (Poland); Palacz, M., E-mail: palacz@slcj.uw.edu.pl [Heavy Ion Laboratory, University of Warsaw, ul. Pasteura 5A, PL 02-093 Warszawa (Poland); Nyberg, J. [Department of Physics and Astronomy, Uppsala University, Uppsala (Sweden); Angelis, G. de [INFN, Laboratori Nazionali di Legnaro, Legnaro (Italy); France, G. de [GANIL, Caen (France); Di Nitto, A. [INFN Sezione di Napoli, Napoli (Italy); Egea, J. [Department of Electronic Engineering, University of Valencia, Burjassot (Valencia) (Spain); IFIC-CSIC, University of Valencia, Valencia (Spain); Erduran, M.N. [Faculty of Engineering and Natural Sciences, Istanbul Sabahattin Zaim University Istanbul (Turkey); Ertuerk, S. [Nigde Universitesi, Fen-Edebiyat Falkueltesi, Fizik Boeluemue, Nigde (Turkey); Farnea, E. [INFN Sezione di Padova, Padua (Italy); Gadea, A. [IFIC-CSIC, University of Valencia, Valencia (Spain); Gonzalez, V. [Department of Electronic Engineering, University of Valencia, Burjassot (Valencia) (Spain); Gottardo, A. [Padova University, Padua (Italy); Hueyuek, T. [IFIC-CSIC, University of Valencia, Valencia (Spain); Kownacki, J. [Heavy Ion Laboratory, University of Warsaw, ul. Pasteura 5A, PL 02-093 Warszawa (Poland); Pipidis, A. [INFN, Laboratori Nazionali di Legnaro, Legnaro (Italy); Roeder, B. [LPC-Caen, ENSICAEN, IN2P3/CNRS et Universite de Caen, Caen (France); Soederstroem, P.-A. [Department of Physics and Astronomy, Uppsala University, Uppsala (Sweden); Sanchis, E. [Department of Electronic Engineering, University of Valencia, Burjassot (Valencia) (Spain); Tarnowski, R. [Heavy Ion Laboratory, University of Warsaw, ul. Pasteura 5A, PL 02-093 Warszawa (Poland); and others
2012-05-01
A study of the dimensions and performance of a single detector of the future neutron detector array NEDA was performed by means of Monte Carlo simulations, using GEANT4. Two different liquid scintillators were evaluated: the hydrogen based BC501A and the deuterated BC537. The efficiency and the probability that one neutron will trigger a signal in more than one detector were investigated as a function of the detector size. The simulations were validated comparing the results to experimental measurements performed with two existing neutron detectors, with different geometries, based on the liquid scintillator BC501.
Molecular dynamic simulation for nanometric cutting of single-crystal face-centered cubic metals.
Huang, Yanhua; Zong, Wenjun
2014-01-01
In this work, molecular dynamics simulations are performed to investigate the influence of material properties on the nanometric cutting of single crystal copper and aluminum with a diamond cutting tool. The atomic interactions in the two metallic materials are modeled by two sets of embedded atom method (EAM) potential parameters. Simulation results show that although the plastic deformation of the two materials is achieved by dislocation activities, the deformation behavior and related physical phenomena, such as the machining forces, machined surface quality, and chip morphology, are significantly different for different materials. Furthermore, the influence of material properties on the nanometric cutting has a strong dependence on the operating temperature.
Lee, Seungah; Chakkarapani, Suresh Kumar; Yeung, Edward S; Kang, Seong Ho
2017-01-15
Quantitative screening of influenza A (H7N9) virus without DNA amplification was performed based on single-particle dual-mode total internal reflection scattering (SD-TIRS) with a transmission grating (TG). A gold nanopad was utilized as a substrate for the hybridization of probe DNA molecules with the TIRS nanotag (silver-nanoparticle). The TG effectively isolated the scattering signals in first-order spectral images (n=+1) of the nanotag from that of the substrate, providing excellent enhancement of signal-to-noise and selectivity. By using single-DNA molecule/TIRS nanotag hybridization, target DNA molecules of H7N9 were detected down to 74 zM, which is at least 100,000 times lower than the current detection limit of 9.4fM. By simply modifying the design of the probe DNA molecules, this technique can be used to directly screen other viral DNAs in various human biological samples at the single-molecule level without target amplification. Copyright Â© 2016 Elsevier B.V. All rights reserved.
Freund, A.K.; Rehm, C.
2014-01-01
The present study has been conducted in the framework of the channel-cut crystal design for the Kookaburra ultra-small-angle neutron scattering (USANS) instrument to be installed at the OPAL reactor of ANSTO. This facility is based on the classical Bonse-Hart method that uses two multiple-reflection crystal systems. The dynamical theory of diffraction by perfect crystals distinguishes two cases: the Darwin case applying to infinitely thick crystals and the Ewald solution for very small absorp...
Berg, L. K.; Chand, D.; Fast, J. D.; Zelenyuk, A.; Wilson, J. M.; Sedlacek, A. J., III; Tomlinson, J. M.; Hubbe, J. M.; Comstock, J. M.; Mei, F.; Kassianov, E.; Schmid, B.
2015-12-01
Aerosol play crucial role in earth's radiative budget by scattering and absorbing solar radiation. The impact of aerosol on radiation budget depend on several factors including single scattering albedo (SSA), composition, and the growth processes, like coating or mixing. We describe findings relevant to optical properties of aerosol characterized over the Cape Cod and nearby northwest Atlantic Ocean during the Two Column Aerosol Project (TCAP) during the summer (July 2012) and winter (February 2013) campaigns. The average single scattering albedo (SSA) shows distinctly different vertical profiles during the summer and winter periods. During the summer study period, the average SSA is greater than 0.95 near surface, it increases to 0.97 until an altitude of 2.5 km, and then decreases to 0.94 at top of the column near 4 km. In contrast, during the winter study period the average SSA is less than 0.93 and decreases with height reaching an average value of 0.87 near the top of the column. The large difference in summer and winter time SSA is linked to the presence of biomass burning (BB) aerosol rather than black carbon or soot in both seasons. In our study, the BB on average is factor of two higher in free troposphere (FT) during summer and more than a factor of two higher in the boundary layer during winter. Single particle analysis indicates that the average profiles of refractory black carbon (rBC) mass are similar in both seasons. The average rBC size are similar at all altitudes sampled (0-4 km) in summer time but different during winter time. In addition, the particles sampled in the summertime FT appear to be more aged than those seen during winter. The observed large heterogeneity in SSA and its links to the particle coating and composition highlights the importance of aging and mixing processes of aerosol in this region and represents a challenge for both regional and global scale models.
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.
Min, S L; Gomez, A
1996-08-20
A technique is described and demonstrated to measure the size of spherical particles of known index of refraction by laser light scattering with an accuracy of better than 1%. This technique entails imaging the angular scattering intensity onto a photodiode array and applying a fast Fourier transform to the array output to obtain a frequency and phase corresponding to the number and angular position of the scattering lobes. Errors associated with particle trajectory effects and changes in the index of refraction are also considered. Results are not affected by the former, whereas variations of the refractive index by 2%, as may be typical, for example, of the transient heat up of a liquid hydrocarbon droplet, cause a deterioration of sizing accuracy to approximately 3%. The technique can in principle be applied in real time at data rates as high as 20-30 kHz with a modest equipment investment. Therefore, the measurement of droplet evaporation rates in dilute sprays with unprecedented accuracy appears to be feasible.
Directory of Open Access Journals (Sweden)
Thomas Flisgen
2014-02-01
Full Text Available This article presents a comparison between measured and simulated scattering parameters in a wide frequency interval for the third harmonic accelerating module ACC39 in the linear accelerator FLASH, located at DESY in Hamburg/Germany. ACC39 is a cryomodule housing four superconducting 3.9 GHz accelerating cavities. Due to the special shape of the cavities (in particular its end cells and the beam pipes in ACC39, the electromagnetic field in the module is, in many frequency ranges, coupled from one cavity to the next. Therefore, the scattering parameters are determined by the entire string and not solely by the individual cavities. This makes the determination of the scattering properties demanding. As far as the authors can determine, this paper shows for the first time a direct comparison between state-of-the-art simulations and measurements of rf properties of long, complex, and asymmetric structures over a wide frequency band. Taking into account the complexity of the system and various geometrical unknowns, the agreement between experimental measurements and simulations is remarkably good for several distinct measurements, although a variety of effects (e.g. cavity deviations from the ideal shape or interactions with not modeled parts of the structure is not considered in the computer simulation. After a short introduction, the paper provides detailed descriptions of simulations and experimental measurements performed at the module. In this context, the estimation of the cable properties is discussed as well. As a central part of the article, the comparison between measured and simulated transmission spectra and quality factors is presented. This study represents one of the first detailed comparisons between simulations and measurements for a coupled accelerator cavity system.
Hu, Guansheng; Zhang, Tao; Zhang, Xuan; Shi, Gentai; Bai, Haojie
2018-03-01
In order to achieve multi-color temperature and multi-magnitude output, magnitude and temperature can real-time adjust, a new type of calibration single star simulator was designed with adjustable magnitude and optical spectrum output in this article. xenon lamp and halogen tungsten lamp were used as light source. The control of spectrum band and temperature of star was realized with different multi-beam narrow band spectrum with light of varying intensity. When light source with different spectral characteristics and color temperature go into the magnitude regulator, the light energy attenuation were under control by adjusting the light luminosity. This method can completely satisfy the requirements of calibration single star simulator with adjustable magnitude and optical spectrum output in order to achieve the adjustable purpose of magnitude and spectrum.
Capponi, S; Arbe, A; Alvarez, F; Colmenero, J; Frick, B; Embs, J P
2009-11-28
Quasielastic neutron scattering experiments (time-of-flight, neutron spin echo, and backscattering) on protonated poly(vinyl methyl ether) (PVME) have revealed the hydrogen dynamics above the glass-transition temperature. Fully atomistic molecular dynamics simulations properly validated with the neutron scattering results have allowed further characterization of the atomic motions accessing the correlation functions directly in real space. Deviations from Gaussian behavior are found in the high-momentum transfer range, which are compatible with the predictions of mode coupling theory (MCT). We have applied the MCT phenomenological version to the self-correlation functions of PVME atoms calculated from our simulation data, obtaining consistent results. The unusually large value found for the lambda-exponent parameter is close to that recently reported for polybutadiene and simple polymer models with intramolecular barriers.
MODELLING AND SIMULATION OF A SINGLE-ZONE HEATING AND VENTILATION SYSTEM
Directory of Open Access Journals (Sweden)
Mesut ŞENGİRGİN
2005-03-01
Full Text Available In this study, modelling and simulation results of a single-zone heating and ventilation system of a large office room are introduced. Heating system is controlled by an on-off controller. By considering the sinusoidal outdoor air tempareture variation and various outdoor/return air ratios as input parameters, dynamic behaviour of room air tempereture are investigated. For this purpose, MATLAB/Simulink code is used.
Moreno-Casas, P. A.; Bombardelli, F. A.
2015-12-01
A 3D Lagrangian particle tracking model is coupled to a 3D channel velocity field to simulate the saltation motion of a single sediment particle moving in saltation mode. The turbulent field is a high-resolution three dimensional velocity field that reproduces a by-pass transition to turbulence on a flat plate due to free-stream turbulence passing above de plate. In order to reduce computational costs, a decoupled approached is used, i.e., the turbulent flow is simulated independently from the tracking model, and then used to feed the 3D Lagrangian particle model. The simulations are carried using the point-particle approach. The particle tracking model contains three sub-models, namely, particle free-flight, a post-collision velocity and bed representation sub-models. The free-flight sub-model considers the action of the following forces: submerged weight, non-linear drag, lift, virtual mass, Magnus and Basset forces. The model also includes the effect of particle angular velocity. The post-collision velocities are obtained by applying conservation of angular and linear momentum. The complete model was validated with experimental results from literature within the sand range. Results for particle velocity time series and distribution of particle turbulent intensities are presented.
Single and Multiple UAV Cyber-Attack Simulation and Performance Evaluation
Directory of Open Access Journals (Sweden)
Ahmad Y. Javaid
2015-02-01
Full Text Available Usage of ground, air and underwater unmanned vehicles (UGV, UAV and UUV has increased exponentially in the recent past with industries producing thousands of these unmanned vehicles every year.With the ongoing discussion of integration of UAVs in the US National Airspace, the need of a cost-effective way to verify the security and resilience of a group of communicating UAVs under attack has become very important. The answer to this need is a simulation testbed which can be used to simulate the UAV Network (UAVNet. One of these attempts is - UAVSim (Unmanned Aerial Vehicle Simulation testbed developed at the University of Toledo. It has the capability of simulating large UAV networks as well as small UAV networks with large number of attack nodes. In this paper, we analyse the performance of the simulation testbed for two attacks, targeting single and multiple UAVs. Traditional and generic computing resource available in a regular computer laboratory was used. Various evaluation results have been presented and analysed which suggest the suitability of UAVSim for UAVNet attack and swarm simulation applications.
Lawler, J. E.; Den Hartog, E. A.
2018-03-01
The Ar I and II branching ratio calibration method is discussed with the goal of improving the technique. This method of establishing a relative radiometric calibration is important in ongoing research to improve atomic transition probabilities for quantitative spectroscopy in astrophysics and other fields. Specific suggestions are presented along with Monte Carlo simulations of wavelength dependent effects from scattering/reflecting of photons in a hollow cathode.
International Nuclear Information System (INIS)
Greven, M.; Birgeneau, R.J.; Endoh, Y.; Kastner, M.A.; Keimer, B.; Matsuda, M.; Shirane, G.; Thurston, T.R.
1994-01-01
We report a neutron scattering study of the spin correlations in the model 2D, S=1/2, square-lattice Heisenberg antiferromagnetic Sr 2 CuO 2 Cl 2 . The spin correlation lengths obtained agree quantitatively with values deduced from Monte Carlo simulations over a wide range of temperature. The combined data, which cover the length scale from 1 to 200 lattice constants, are predicted accurately with no adjustable parameters by renormalized classical theory for the quantum nonlinear sigma model
DEFF Research Database (Denmark)
Völcker, Carsten; Jørgensen, John Bagterp; Thomsen, Per Grove
2010-01-01
The implicit Euler method, normally refered to as the fully implicit (FIM) method, and the implicit pressure explicit saturation (IMPES) method are the traditional choices for temporal discretization in reservoir simulation. The FIM method offers unconditionally stability in the sense of discrete....... Current reservoir simulators apply timestepping algorithms that are based on safeguarded heuristics, and can neither guarantee convergence in the underlying equation solver, nor provide estimates of the relations between convergence, integration error and stepsizes. We establish predictive stepsize...... control applied to high order methods for temporal discretization in reservoir simulation. The family of Runge-Kutta methods is presented and in particular the explicit singly diagonally implicit Runge-Kutta (ESDIRK) method with an embedded error estimate is described. A predictive stepsize adjustment...
A numerical model for the dynamic simulation of a recirculation single-effect absorption chiller
International Nuclear Information System (INIS)
Zinet, Matthieu; Rulliere, Romuald; Haberschill, Philippe
2012-01-01
Highlights: ► Dynamic simulation of a new recirculation single-effect H 2 O/LiBr absorption chiller is developed. ► The chiller is driven by two heat sources and exclusively cooled by the ambient air. ► Heat and mass transfer in the absorber and the desorber are described according to a detailed physical model. ► Analyse of the dynamic behaviour of the chiller after sudden changes in operation. - Abstract: A dynamic model for the simulation of a new single-effect water/lithium bromide absorption chiller is developed. The chiller is driven by two distinct heat sources, includes a custom integrated falling film evaporator–absorber, uses mixed recirculation and is exclusively cooled by the ambient air. Heat and mass transfer in the evaporator–absorber and in the desorber are described according to a physical model for vapour absorption based on Nusselt’s film theory. The other heat exchangers are handled using a simplified approach based on the NTU-effectiveness method. The model is then used to analyze the chiller response to a step drop of the heat recovery circuit flow rate, and to a sudden reduction of the cooling need in the conditioned space. In the latter case, a basic temperature regulation system is simulated. In both simulations, the performance of the chiller is well represented and consistent with expectations.
Gorfman, Semën; Keeble, Dean S; Bombardi, Alessandro; Thomas, Pam A
2015-10-01
The results of high-resolution measurements of the diffuse X-ray scattering produced by a perovskite-based Na 0.5 Bi 0.5 TiO 3 ferroelectric single crystal between 40 and 620 K are reported. The study was designed as an attempt to resolve numerous controversies regarding the average structure of Na 0.5 Bi 0.5 TiO 3 , such as the mechanism of the phase transitions between the tetragonal, P 4 bm , and rhombohedral | monoclinic, R 3 c | Cc , space groups and the correlation between structural changes and macroscopic physical properties. The starting point was to search for any transformations of structural disorder in the temperature range of thermal depoling (420-480 K), where the average structure is known to remain unchanged. The intensity distribution around the {032} pseudocubic reflection was collected using a PILATUS 100K detector at the I16 beamline of the Diamond Light Source (UK). The data revealed previously unknown features of the diffuse scattering, including a system of dual asymmetric L-shaped diffuse scattering streaks. The topology, temperature dependence, and relationship between Bragg and diffuse intensities suggest the presence of complex microstructure in the low-temperature R 3 c | Cc phase. This microstructure may be formed by the persistence of the higher-temperature P 4 bm phase, built into a lower-temperature R 3 c | Cc matrix, accompanied by the related long-range strain fields. Finally, it is shown that a correlation between the temperature dependence of the X-ray scattering features and the temperature regime of thermal depoling is present.
Numerical simulation study into the effect of a single heavy ion on a sub-micron CMOS device
International Nuclear Information System (INIS)
Detcheverry, C.; Lorfevre, E.; Bruguier, G.; Palau, J.M.; Gasiot, J.; Ecoffet, R.
1997-01-01
This article discusses coupling between the MEDICI component simulator and the SPICE circuit simulator to study single-event-upset phenomena caused by a single ion on a 0.6 μm CMOS device. Results conforming closely to experimental values were obtained by adopting an appropriate mesh size, a hydrodynamic charge transport model (rather than a diffusion-conduction model), and realistic simulation of photon-induced carrier generation, to accurately model the ion passage and trajectory. (authors)
Energy Technology Data Exchange (ETDEWEB)
Adachi, Itaru; Doi, Kenji; Komori, Tsuyoshi; Hou, Nobuyoshi; Tabuchi, Koujirou; Matsui, Ritsuo; Sueyoshi, Kouzou; Utsunomiya, Keita; Narabayashi, Isamu [Osaka Medical Coll., Takatsuki (Japan)
1998-01-01
This investigation was undertaken to study clinical usefulness of scatter and attenuation correction (SAC) of brain SPECT in infants to compare the standard reconstruction (STD). The brain SPECT was performed in 31 patients with 19 epilepsy, 5 cerebro-vascular disease, 2 brain tumor, 3 meningitis, 1 hydrocephalus and psychosis (mean age 5.0{+-}4.9 years old). Many patients was necessary to be injected sedatives for restraining body motion after Technetium-99m hexamethylpropylene amine oxime ({sup 99m}Tc-HMPAO) was injected at the convulsion or rest. Brain SPECT data were acquired with triple detector gamma camera (GCA-9300 Toshiba Japan). These data were reconstructed by filtered backprojection after the raw data were corrected by triple energy windows method of scatter correction and Chang filtered method of attenuation correction. The same data was reconstructed by filtered backprojection without these corrections. Both SAC and STD SPECT images were analyzed by the visual interpretation. The uptake ratio of cerebral basal nuclei was calculated by the counts of the thalamus or lenticular nuclei divided by the cortex. All images of SAC method were excellent than that of STD method. The thalamic uptake ratio in SAC method was higher than that of STD method (1.22{+-}0.09>0.87{+-}0.22 p<0.01). The lenticular nuclear uptake ratio in SAC method was higher than that of STD method (1.26{+-}0.15>1.02{+-}0.16 p<0.01). Transmission scan is the most suitable method of absorption correction. But the transmission scan is not adequate for examination of children, because this scan needs a lot of time and the infants are exposed by the line source radioisotope. It was concluded that these scatter and absorption corrections were most suitable method for brain SPECT in pediatrics. (author)
International Nuclear Information System (INIS)
Adachi, Itaru; Doi, Kenji; Komori, Tsuyoshi; Hou, Nobuyoshi; Tabuchi, Koujirou; Matsui, Ritsuo; Sueyoshi, Kouzou; Utsunomiya, Keita; Narabayashi, Isamu
1998-01-01
This investigation was undertaken to study clinical usefulness of scatter and attenuation correction (SAC) of brain SPECT in infants to compare the standard reconstruction (STD). The brain SPECT was performed in 31 patients with 19 epilepsy, 5 cerebro-vascular disease, 2 brain tumor, 3 meningitis, 1 hydrocephalus and psychosis (mean age 5.0±4.9 years old). Many patients was necessary to be injected sedatives for restraining body motion after Technetium-99m hexamethylpropylene amine oxime ( 99m Tc-HMPAO) was injected at the convulsion or rest. Brain SPECT data were acquired with triple detector gamma camera (GCA-9300 Toshiba Japan). These data were reconstructed by filtered backprojection after the raw data were corrected by triple energy windows method of scatter correction and Chang filtered method of attenuation correction. The same data was reconstructed by filtered backprojection without these corrections. Both SAC and STD SPECT images were analyzed by the visual interpretation. The uptake ratio of cerebral basal nuclei was calculated by the counts of the thalamus or lenticular nuclei divided by the cortex. All images of SAC method were excellent than that of STD method. The thalamic uptake ratio in SAC method was higher than that of STD method (1.22±0.09>0.87±0.22 p 1.02±0.16 p<0.01). Transmission scan is the most suitable method of absorption correction. But the transmission scan is not adequate for examination of children, because this scan needs a lot of time and the infants are exposed by the line source radioisotope. It was concluded that these scatter and absorption corrections were most suitable method for brain SPECT in pediatrics. (author)
Directory of Open Access Journals (Sweden)
Seonhyeop Shin
2015-06-01
Full Text Available The elastic properties of KF-substituted perovskite lead titanate (PbTiO3 were investigated by dielectric measurements and Brillouin light scattering. The ferroelectric phase transition occurred at substantially lower temperature due to KF substitution, which was attributed to the modification of the covalency in Pb–O and Ti–O bonds. The longitudinal acoustic (LA mode of KF-substituted PbTiO3 showed a frequency softening in the paraelectric phase, which was accompanied by increasing acoustic damping. This indicated that polarization fluctuations responsible for the acoustic anomalies were enhanced by KF substitution.
Directory of Open Access Journals (Sweden)
Samira Agbolaghi
2017-12-01
Full Text Available Two types of rod-coil block copolymers including poly(3-hexylthiophene-block-poly(ethylene glycol (P3HT-b-PEG and PEG-block-polyaniline (PANI were synthesized using Grignard metathesis polymerization, Suzuki coupling, and interfacial polymerization. Afterward, two types of single crystals were grown by self-seeding methodology to investigate the coily and rod blocks in grafted brushes and ordered crystalline configurations. The conductive P3HT fibrillar single crystals covered by the dielectric coily PEG oligomers were grown from toluene, xylene, and anisole, and characterized by atomic force microscopy (AFM and grazing wide angle X-ray scattering (GIWAXS. Longer P3HT backbones resulted in folding, whereas shorter ones had a high tendency towards backbone lamination. The effective factors on folding of long P3HT backbones in the single crystal structures were the solvent quality and crystallization temperature. Better solvents due to decelerating the growth condition led to a higher number of foldings. Via increasing the crystallization temperature, the system decreased the folding number to maintain its stability. Poorer solvents also reflected a higher stacking in hexyl side chain and π-π stacking directions. The dielectric lamellar PEG single crystals sandwiched between the PANI nanorods were grown from amyl acetate, and analyzed using the interface distribution function (IDF of SAXS and AFM. The molecular weights of PANI and PEG blocks and crystallization temperature were focused while studying the grown single crystals.
Scattering of sonic booms by anisotropic turbulence in the atmosphere
Kelly; Raspet; Bass
2000-06-01
An earlier paper [J. Acoust. Soc. Am. 98, 3412-3417 (1995)] reported on the comparison of rise times and overpressures of sonic booms calculated with a scattering center model of turbulence to measurements of sonic boom propagation through a well-characterized turbulent layer under moderately turbulent conditions. This detailed simulation used spherically symmetric scatterers to calculate the percentage of occurrence histograms of received overpressures and rise times. In this paper the calculation is extended to include distorted ellipsoidal turbules as scatterers and more accurately incorporates the meteorological data into a determination of the number of scatterers per unit volume. The scattering center calculation overpredicts the shifts in rise times for weak turbulence, and still underpredicts the shift under more turbulent conditions. This indicates that a single-scatter center-based model cannot completely describe sonic boom propagation through atmospheric turbulence.
Thermal-Hydraulic Simulations of Single Pin and Assembly Sector for IVG- 1M Reactor
Energy Technology Data Exchange (ETDEWEB)
Kraus, A. [Argonne National Lab. (ANL), Argonne, IL (United States); Garner, P. [Argonne National Lab. (ANL), Argonne, IL (United States); Hanan, N. [Argonne National Lab. (ANL), Argonne, IL (United States)
2015-01-15
Thermal-hydraulic simulations have been performed using computational fluid dynamics (CFD) for the highly-enriched uranium (HEU) design of the IVG.1M reactor at the Institute of Atomic Energy (IAE) at the National Nuclear Center (NNC) in the Republic of Kazakhstan. Steady-state simulations were performed for both types of fuel assembly (FA), i.e. the FA in rows 1 & 2 and the FA in row 3, as well as for single pins in those FA (600 mm and 800 mm pins). Both single pin calculations and bundle sectors have been simulated for the most conservative operating conditions corresponding to the 10 MW output power, which corresponds to a pin unit cell Reynolds number of only about 7500. Simulations were performed using the commercial code STAR-CCM+ for the actual twisted pin geometry as well as a straight-pin approximation. Various Reynolds-Averaged Navier-Stokes (RANS) turbulence models gave different results, and so some validation runs with a higher-fidelity Large Eddy Simulation (LES) code were performed given the lack of experimental data. These singled out the Realizable Two-Layer k-ε as the most accurate turbulence model for estimating surface temperature. Single-pin results for the twisted case, based on the average flow rate per pin and peak pin power, were conservative for peak clad surface temperature compared to the bundle results. Also the straight-pin calculations were conservative as compared to the twisted pin simulations, as expected, but the single-pin straight case was not always conservative with regard to the straight-pin bundle. This was due to the straight-pin temperature distribution being strongly influenced by the pin orientation, particularly near the outer boundary. The straight-pin case also predicted the peak temperature to be in a different location than the twisted-pin case. This is a limitation of the straight-pin approach. The peak temperature pin was in a different location from the peak power pin in every case simulated, and occurred at an
Hong, Seung Hwan; Bok, Jin Mo; Zhang, Wentao; He, Junfeng; Zhou, X J; Varma, C M; Choi, Han-Yong
2014-08-01
There is an enormous interest in the renormalization of the quasiparticle (qp) dispersion relation of cuprate superconductors both below and above the critical temperature T_{c} because it enables the determination of the fluctuation spectrum to which the qp's are coupled. A remarkable discovery by angle-resolved photoemission spectroscopy (ARPES) is a sharp low-energy feature (LEF) in qp spectra well below the superconducting energy gap but with its energy increasing in proportion to T_{c} and its intensity increasing sharply below T_{c}. This unexpected feature needs to be reconciled with d-wave superconductivity. Here, we present a quantitative analysis of ARPES data from Bi_{2}Sr_{2}CaCu_{2}O_{8+δ} (Bi2212) using Eliashberg equations to show that the qp scattering rate due to the forward scattering impurities far from the Cu-O planes is modified by the energy gap below T_{c} and shows up as the LEF. This is also a necessary step to analyze ARPES data to reveal the spectrum of fluctuations promoting superconductivity.
DEFF Research Database (Denmark)
Jalkanen, Karl J.; Nieminen, R. M.; Bohr, Jakob
2000-01-01
The Raman and Raman optical activity (ROA) spectra of amino acids and small peptides in aqueous solution have been simulated by density functional theory and restricted Hartree/Fock methods. The treatment of the aqueous environment in treated in two ways. The water molecules in the first hydration...
Directory of Open Access Journals (Sweden)
Xu Qingyan
2014-07-01
Full Text Available As the key parts of an aero-engine, single crystal (SX superalloy turbine blades have been the focus of much attention. However, casting defects often occur during the manufacturing process of the SX turbine blades. Modeling and simulation technology can help to optimize the manufacturing process of SX blades. Multiscale coupled models were proposed and used to simulate the physical phenomena occurring during the directional solidification (DS process. Coupled with heat transfer (macroscale and grain growth (meso-scale, 3D dendritic grain growth was calculated to show the competitive grain growth at micro-scale. SX grain selection behavior was studied by the simulation and experiments. The results show that the geometrical structure and technical parameters had strong influences on the grain selection effectiveness. Based on the coupled models, heat transfer, grain growth and microstructure evolution of a complex hollow SX blade were simulated. Both the simulated and experimental results show that the stray grain occurred at the platform of the SX blade when a constant withdrawal rate was used in manufacturing process. In order to avoid the formation of the stray crystal, the multi-scale coupled models and the withdrawal rate optimized technique were applied to the same SX turbine blade. The modeling results indicated that the optimized variable withdrawal rate can achieve SX blade castings with no stray grains, which was also proved by the experiments.
Directory of Open Access Journals (Sweden)
J. Tao
2012-09-01
Full Text Available Due to the all-weather data acquisition capabilities, high resolution space borne Synthetic Aperture Radar (SAR plays an important role in remote sensing applications like change detection. However, because of the complex geometric mapping of buildings in urban areas, SAR images are often hard to interpret. SAR simulation techniques ease the visual interpretation of SAR images, while fully automatic interpretation is still a challenge. This paper presents a method for supporting the interpretation of high resolution SAR images with simulated radar images using a LiDAR digital surface model (DSM. Line features are extracted from the simulated and real SAR images and used for matching. A single building model is generated from the DSM and used for building recognition in the SAR image. An application for the concept is presented for the city centre of Munich where the comparison of the simulation to the TerraSAR-X data shows a good similarity. Based on the result of simulation and matching, special features (e.g. like double bounce lines, shadow areas etc. can be automatically indicated in SAR image.
International Nuclear Information System (INIS)
Gong, Guangcai; Chen, Feihu; Su, Huan; Zhou, Jianyong
2012-01-01
Highlights: ► Thermodynamic model of a two-condenser condensation system has been carried out. ► Dynamic simulation method has been presented. ► COP and g of the refrigerating system is better than the single condensation system. ► The optimal parameters for the two-condenser condensation system have been studied. -- Abstract: A thermodynamic simulation study has been carried out for a single stage centrifugal chiller in this paper. The cooling capacity of the chiller unit is about 1750 kW. The chiller unit has been set and tested, and the work refrigerant is R22. A heat exchanger has been set between outlet of the compressor and the condenser for sanitary hot water supplying. Then the chiller unit is a kind of combined system that can provide sanitary hot water supplying and air conditioning simultaneously. A thermodynamic simulation model of the combined system has been established with the system simulation toolbox Simulink. Performance of the components and the combined system of the chiller unit has been studied over a wide range of operating conditions. The potential energy and fuel cost saving associated with the use of the proposed combined system for a typical hotel in south China has been estimated. It is showed that the combined system of the chiller unit is very useful in hotel buildings. And the thermodynamic simulation model of the combined system is significance for the optimization of parameters of the chiller unit such as condensation and evaporation temperature, mass flow of the sanitary hot water and size of hot water storage tank.
Oulebsir, Fouad; Vermorel, Romain; Galliero, Guillaume
2018-01-16
With the advent of graphene material, membranes based on single-layer nanoporous solids appear as promising devices for fluid separation, be it liquid or gaseous mixtures. The design of such architectured porous materials would greatly benefit from accurate models that can predict their transport and separation properties. More specifically, there is no universal understanding of how parameters such as temperature, fluid loading conditions, or the ratio of the pore size to the fluid molecular diameter influence the permeation process. In this study, we address the problem of pure supercritical fluids diffusing through simplified models of single-layer porous materials. Basically, we investigate a toy model that consists of a single-layer lattice of Lennard-Jones interaction sites with a slit gap of controllable width. We performed extensive equilibrium and biased molecular dynamics simulations to document the physical mechanisms involved at the molecular scale. We propose a general constitutive equation for the diffusional transport coefficient derived from classical statistical mechanics and kinetic theory, which can be further simplified in the ideal gas limit. This transport coefficient relates the molecular flux to the fluid density jump across the single-layer membrane. It is found to be proportional to the accessible surface porosity of the single-layer porous solid and to a thermodynamic factor accounting for the inhomogeneity of the fluid close to the pore entrance. Both quantities directly depend on the potential of mean force that results from molecular interactions between solid and fluid atoms. Comparisons with the simulations data show that the kinetic model captures how narrowing the pore size below the fluid molecular diameter lowers dramatically the value of the transport coefficient. Furthermore, we demonstrate that our general constitutive equation allows for a consistent interpretation of the intricate effects of temperature and fluid loading
Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation
Kadoura, Ahmad Salim
2016-06-01
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-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercritical isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH4, N2, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO2 and C2 H6.
Numerical Simulation on Single Bubble Pool Boiling with Influence of Heater Thermal Capacity
Zhao, Jian-Fu; Zhang, Liang; Li, Zhen-Dong
The model of single bubble pool boiling is used to simulate nucleate pool boiling phenomenon in the present paper. Local convection and heat transfer around a single vapour bubble which is growing from a nucleus bubble planted artificially on the surface of heaters with different thicknesses, as well as transient heat conduction inside the heater’s wall, are simulated numerically with sharp interface representation. Multi-cycle simulation is adopted to eliminate the effect of un-physical initial conditions. It’s found that the thermal response of wall is found to affect the bubble growth and boiling heat transfer. During the process of bubble growth, a sharp temperature drop inside the solid wall is evident near the contact line underneath the growing bubble because of the strong evaporation in micro-region. The temperature and heat flux profiles change with the move of the contact line, and twice sharp temperature drops at a certain location are observed, which correspond to the expanding and recoiling processes, respectively. During the waiting period after the bubble detached from the wall, the temperature field is recovered by heat conduction inside the solid wall. As a part of preparation of the SOBER project onboard the Chinese recoverable satellite SJ-10, which will be launched in the end of 2015, the gravity influence is also studied.
Simulating the 2012 High Plains drought using three single column versions (SCM) of BUGS5
Medina, I. D.; Denning, S.
2013-12-01
The impact of changes in the frequency and severity of drought on fresh water sustainability is a great concern for many regions of the world. One such location is the High Plains, where the local economy is primarily driven by fresh water withdrawals from the Ogallala Aquifer, which accounts for approximately 30% of total irrigation withdrawals from all U.S. aquifers combined. Modeling studies that focus on the feedback mechanisms that control the climate and eco-hydrology during times of drought are limited, and have used conventional General Circulation Models (GCMs) with grid length scales ranging from one hundred to several hundred kilometers. Additionally, these models utilize crude statistical parameterizations of cloud processes for estimating sub-grid fluxes of heat and moisture and have a poor representation of land surface heterogeneity. For this research, we will focus on the 2012 High Plains drought and will perform numerical simulations using three single column versions (SCM) of BUGS5 (Colorado State University (CSU) GCM coupled to the Simple Biosphere Model (SiB3)) at multiple sites overlying the Ogallala Aquifer for the 2011-2012 periods. In the first version of BUGS5, the model will be used in its standard bulk setting (single atmospheric column coupled to a single instance of SiB3), secondly, the Super-Parameterized Community Atmospheric Model (SP-CAM), a cloud resolving model (CRM consists of 64 atmospheric columns), will replace the single CSU GCM atmospheric parameterization and will be coupled to a single instance of SiB3, and for the third version of BUGS5, an instance of SiB3 will be coupled to each CRM column of the SP-CAM (64 CRM columns coupled to 64 instances of SiB3). To assess the physical realism of the land-atmosphere feedbacks simulated at each site by all versions of BUGS5, differences in simulated energy and moisture fluxes will be computed between the 2011 and 2012 period and will be compared to differences calculated using
Fan, Wei; Lee, Yih Hong; Pedireddy, Srikanth; Zhang, Qi; Liu, Tianxi; Ling, Xing Yi
2014-05-07
Graphene oxide (GO) is an emerging material for surface-enhanced Raman scattering (SERS) due to its strong chemical enhancement. Studying the SERS performance of plasmonic nanoparticle/GO hybrid materials at the single particle level is crucial for direct probing of the chemical effect of GO on plasmonic nanoparticles. In this work, we integrate GO and shape-controlled Ag nanoparticles to create hybrid nanomaterials, and the chemical enhancement arising from GO is investigated using single-particle SERS measurements. Ag nanoparticle@GO hybrid nanostructures are prepared by assembling Ag nanoparticles, including spheres, cubes and octahedra with GO sheets. The SERS behaviors of the hybrid nanostructures are characterized, and 2-3 times enhanced SERS intensities are detected from the Ag nanoparticle@GO hybrid nanostructures as compared to pure Ag nanoparticles. Furthermore, we probe the mechanism of SERS enhancement in the hybrid nanostructures by changing the surface coverage of GO on Ag octahedra, by using reduced GO in place of GO as well as by using probe molecules of different electronegativities. This hybrid system is an excellent candidate for single-particle SERS sensors. Sub-nanomolar levels of aromatic molecules are detected using a single Ag/GO hybrid nanomaterial. This as-prepared GO and shape-controlled Ag nanoparticle hybrid is capable of serving as a high performance SERS platform, providing new opportunities for efficient chemical and biological sensing applications.