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Sample records for dimensional fragment method

  1. Dimensional crossover in fragmentation

    Science.gov (United States)

    Sotolongo-Costa, Oscar; Rodriguez, Arezky H.; Rodgers, G. J.

    2000-11-01

    Experiments in which thick clay plates and glass rods are fractured have revealed different behavior of fragment mass distribution function in the small and large fragment regions. In this paper we explain this behavior using non-extensive Tsallis statistics and show how the crossover between the two regions is caused by the change in the fragments’ dimensionality during the fracture process. We obtain a physical criterion for the position of this crossover and an expression for the change in the power-law exponent between the small and large fragment regions. These predictions are in good agreement with the experiments on thick clay plates.

  2. Comparing the accuracy of high-dimensional neural network potentials and the systematic molecular fragmentation method: A benchmark study for all-trans alkanes

    International Nuclear Information System (INIS)

    Gastegger, Michael; Kauffmann, Clemens; Marquetand, Philipp; Behler, Jörg

    2016-01-01

    Many approaches, which have been developed to express the potential energy of large systems, exploit the locality of the atomic interactions. A prominent example is the fragmentation methods in which the quantum chemical calculations are carried out for overlapping small fragments of a given molecule that are then combined in a second step to yield the system’s total energy. Here we compare the accuracy of the systematic molecular fragmentation approach with the performance of high-dimensional neural network (HDNN) potentials introduced by Behler and Parrinello. HDNN potentials are similar in spirit to the fragmentation approach in that the total energy is constructed as a sum of environment-dependent atomic energies, which are derived indirectly from electronic structure calculations. As a benchmark set, we use all-trans alkanes containing up to eleven carbon atoms at the coupled cluster level of theory. These molecules have been chosen because they allow to extrapolate reliable reference energies for very long chains, enabling an assessment of the energies obtained by both methods for alkanes including up to 10 000 carbon atoms. We find that both methods predict high-quality energies with the HDNN potentials yielding smaller errors with respect to the coupled cluster reference.

  3. Comparing the accuracy of high-dimensional neural network potentials and the systematic molecular fragmentation method: A benchmark study for all-trans alkanes

    Energy Technology Data Exchange (ETDEWEB)

    Gastegger, Michael; Kauffmann, Clemens; Marquetand, Philipp, E-mail: philipp.marquetand@univie.ac.at [Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Straße 17, Vienna (Austria); Behler, Jörg [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, Universitätsstraße 150, Bochum (Germany)

    2016-05-21

    Many approaches, which have been developed to express the potential energy of large systems, exploit the locality of the atomic interactions. A prominent example is the fragmentation methods in which the quantum chemical calculations are carried out for overlapping small fragments of a given molecule that are then combined in a second step to yield the system’s total energy. Here we compare the accuracy of the systematic molecular fragmentation approach with the performance of high-dimensional neural network (HDNN) potentials introduced by Behler and Parrinello. HDNN potentials are similar in spirit to the fragmentation approach in that the total energy is constructed as a sum of environment-dependent atomic energies, which are derived indirectly from electronic structure calculations. As a benchmark set, we use all-trans alkanes containing up to eleven carbon atoms at the coupled cluster level of theory. These molecules have been chosen because they allow to extrapolate reliable reference energies for very long chains, enabling an assessment of the energies obtained by both methods for alkanes including up to 10 000 carbon atoms. We find that both methods predict high-quality energies with the HDNN potentials yielding smaller errors with respect to the coupled cluster reference.

  4. Geometric morphometric methods for three-dimensional virtual reconstruction of a fragmented cranium: the case of Angelo Poliziano.

    Science.gov (United States)

    Benazzi, S; Stansfield, E; Milani, C; Gruppioni, G

    2009-07-01

    The process of forensic identification of missing individuals is frequently reliant on the superimposition of cranial remains onto an individual's picture and/or facial reconstruction. In the latter, the integrity of the skull or a cranium is an important factor in successful identification. Here, we recommend the usage of computerized virtual reconstruction and geometric morphometrics for the purposes of individual reconstruction and identification in forensics. We apply these methods to reconstruct a complete cranium from facial remains that allegedly belong to the famous Italian humanist of the fifteenth century, Angelo Poliziano (1454-1494). Raw data was obtained by computed tomography scans of the Poliziano face and a complete reference skull of a 37-year-old Italian male. Given that the amount of distortion of the facial remains is unknown, two reconstructions are proposed: The first calculates the average shape between the original and its reflection, and the second discards the less preserved left side of the cranium under the assumption that there is no deformation on the right. Both reconstructions perform well in the superimposition with the original preserved facial surface in a virtual environment. The reconstruction by means of averaging between the original and reflection yielded better results during the superimposition with portraits of Poliziano. We argue that the combination of computerized virtual reconstruction and geometric morphometric methods offers a number of advantages over traditional plastic reconstruction, among which are speed, reproducibility, easiness of manipulation when superimposing with pictures in virtual environment, and assumptions control.

  5. Bootstrap embedding: An internally consistent fragment-based method

    Energy Technology Data Exchange (ETDEWEB)

    Welborn, Matthew; Tsuchimochi, Takashi; Van Voorhis, Troy [Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States)

    2016-08-21

    Strong correlation poses a difficult problem for electronic structure theory, with computational cost scaling quickly with system size. Fragment embedding is an attractive approach to this problem. By dividing a large complicated system into smaller manageable fragments “embedded” in an approximate description of the rest of the system, we can hope to ameliorate the steep cost of correlated calculations. While appealing, these methods often converge slowly with fragment size because of small errors at the boundary between fragment and bath. We describe a new electronic embedding method, dubbed “Bootstrap Embedding,” a self-consistent wavefunction-in-wavefunction embedding theory that uses overlapping fragments to improve the description of fragment edges. We apply this method to the one dimensional Hubbard model and a translationally asymmetric variant, and find that it performs very well for energies and populations. We find Bootstrap Embedding converges rapidly with embedded fragment size, overcoming the surface-area-to-volume-ratio error typical of many embedding methods. We anticipate that this method may lead to a low-scaling, high accuracy treatment of electron correlation in large molecular systems.

  6. Differentiating Fragmentation Pathways of Cholesterol by Two-Dimensional Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.

    Science.gov (United States)

    van Agthoven, Maria A; Barrow, Mark P; Chiron, Lionel; Coutouly, Marie-Aude; Kilgour, David; Wootton, Christopher A; Wei, Juan; Soulby, Andrew; Delsuc, Marc-André; Rolando, Christian; O'Connor, Peter B

    2015-12-01

    Two-dimensional Fourier transform ion cyclotron resonance mass spectrometry is a data-independent analytical method that records the fragmentation patterns of all the compounds in a sample. This study shows the implementation of atmospheric pressure photoionization with two-dimensional (2D) Fourier transform ion cyclotron resonance mass spectrometry. In the resulting 2D mass spectrum, the fragmentation patterns of the radical and protonated species from cholesterol are differentiated. This study shows the use of fragment ion lines, precursor ion lines, and neutral loss lines in the 2D mass spectrum to determine fragmentation mechanisms of known compounds and to gain information on unknown ion species in the spectrum. In concert with high resolution mass spectrometry, 2D Fourier transform ion cyclotron resonance mass spectrometry can be a useful tool for the structural analysis of small molecules. Graphical Abstract ᅟ.

  7. Calculations of three-dimensional collapse and fragmentation

    International Nuclear Information System (INIS)

    Larson, R.B.

    1978-01-01

    Calculations of the fragmentation of an isothermally collapsing cloud have been carried out using a method that follows the motion of individual fluid particles and includes pressure and viscosity forces between neighbouring particles. In a cloud or region whose mass is comparable to the Jeans mass, a highly condensed core forms, surrounded by a diffuse envelope that continues to accrete on to the core; in the presence of rotation, the inner part of the envelope becomes essentially an accretion disc. If the mass exceeds the Jeans mass, several such accreting cores are formed, the number being comparable to the initial number of jeans masses in the cloud. Binary systems and hierarchical multiple systems are frequently obtained. The mass of the largest object formed is independent of the Jeans mass but depends on the angular momentum and viscosity of the cloud, and is essentially the maximum mass accretable by a single object. The resulting mass spectrum may be determined by the development of a hierarchy of accreting objects of different sizes, such that each object has several smaller ones associated with it. The hypothesis of a self-similar accretion hierarchy predicts a power-law mass spectrum, which in the limit of inefficient accretion has an exponent x = 1, in reasonable agreement with observations. (author)

  8. The dual role of fragments in fragment-assembly methods for de novo protein structure prediction

    Science.gov (United States)

    Handl, Julia; Knowles, Joshua; Vernon, Robert; Baker, David; Lovell, Simon C.

    2013-01-01

    In fragment-assembly techniques for protein structure prediction, models of protein structure are assembled from fragments of known protein structures. This process is typically guided by a knowledge-based energy function and uses a heuristic optimization method. The fragments play two important roles in this process: they define the set of structural parameters available, and they also assume the role of the main variation operators that are used by the optimiser. Previous analysis has typically focused on the first of these roles. In particular, the relationship between local amino acid sequence and local protein structure has been studied by a range of authors. The correlation between the two has been shown to vary with the window length considered, and the results of these analyses have informed directly the choice of fragment length in state-of-the-art prediction techniques. Here, we focus on the second role of fragments and aim to determine the effect of fragment length from an optimization perspective. We use theoretical analyses to reveal how the size and structure of the search space changes as a function of insertion length. Furthermore, empirical analyses are used to explore additional ways in which the size of the fragment insertion influences the search both in a simulation model and for the fragment-assembly technique, Rosetta. PMID:22095594

  9. Extension of moment projection method to the fragmentation process

    International Nuclear Information System (INIS)

    Wu, Shaohua; Yapp, Edward K.Y.; Akroyd, Jethro; Mosbach, Sebastian; Xu, Rong; Yang, Wenming; Kraft, Markus

    2017-01-01

    The method of moments is a simple but efficient method of solving the population balance equation which describes particle dynamics. Recently, the moment projection method (MPM) was proposed and validated for particle inception, coagulation, growth and, more importantly, shrinkage; here the method is extended to include the fragmentation process. The performance of MPM is tested for 13 different test cases for different fragmentation kernels, fragment distribution functions and initial conditions. Comparisons are made with the quadrature method of moments (QMOM), hybrid method of moments (HMOM) and a high-precision stochastic solution calculated using the established direct simulation algorithm (DSA) and advantages of MPM are drawn.

  10. Extension of moment projection method to the fragmentation process

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Shaohua [Department of Mechanical Engineering, National University of Singapore, Engineering Block EA, Engineering Drive 1, 117576 (Singapore); Yapp, Edward K.Y.; Akroyd, Jethro; Mosbach, Sebastian [Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge, CB2 3RA (United Kingdom); Xu, Rong [School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459 (Singapore); Yang, Wenming [Department of Mechanical Engineering, National University of Singapore, Engineering Block EA, Engineering Drive 1, 117576 (Singapore); Kraft, Markus, E-mail: mk306@cam.ac.uk [Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge, CB2 3RA (United Kingdom); School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459 (Singapore)

    2017-04-15

    The method of moments is a simple but efficient method of solving the population balance equation which describes particle dynamics. Recently, the moment projection method (MPM) was proposed and validated for particle inception, coagulation, growth and, more importantly, shrinkage; here the method is extended to include the fragmentation process. The performance of MPM is tested for 13 different test cases for different fragmentation kernels, fragment distribution functions and initial conditions. Comparisons are made with the quadrature method of moments (QMOM), hybrid method of moments (HMOM) and a high-precision stochastic solution calculated using the established direct simulation algorithm (DSA) and advantages of MPM are drawn.

  11. Effective Fragment Potential Method for H-Bonding: How To Obtain Parameters for Nonrigid Fragments.

    Science.gov (United States)

    Dubinets, Nikita; Slipchenko, Lyudmila V

    2017-07-20

    Accuracy of the effective fragment potential (EFP) method was explored for describing intermolecular interaction energies in three dimers with strong H-bonded interactions, formic acid, formamide, and formamidine dimers, which are a part of HBC6 database of noncovalent interactions. Monomer geometries in these dimers change significantly as a function of intermonomer separation. Several EFP schemes were considered, in which fragment parameters were prepared for a fragment in its gas-phase geometry or recomputed for each unique fragment geometry. Additionally, a scheme in which gas-phase fragment parameters are shifted according to relaxed fragment geometries is introduced and tested. EFP data are compared against the coupled cluster with single, double, and perturbative triple excitations (CCSD(T)) method in a complete basis set (CBS) and the symmetry adapted perturbation theory (SAPT). All considered EFP schemes provide a good agreement with CCSD(T)/CBS for binding energies at equilibrium separations, with discrepancies not exceeding 2 kcal/mol. However, only the schemes that utilize relaxed fragment geometries remain qualitatively correct at shorter than equilibrium intermolecular distances. The EFP scheme with shifted parameters behaves quantitatively similar to the scheme in which parameters are recomputed for each monomer geometry and thus is recommended as a computationally efficient approach for large-scale EFP simulations of flexible systems.

  12. Quantitative, three-dimensional diagnostics of multiphase drop fragmentation via digital in-line holography.

    Science.gov (United States)

    Gao, Jian; Guildenbecher, Daniel R; Reu, Phillip L; Kulkarni, Varun; Sojka, Paul E; Chen, Jun

    2013-06-01

    Quantitative application of digital in-line holography (DIH) to characterize multiphase fragmentation is demonstrated. DIH is applied to record sequential holograms of the breakup of an ethanol droplet in an aerodynamic flow field. Various stages of the breakup process are recorded, including deformation, bag growth, bag breakup, and rim breakup. A recently proposed hybrid method is applied to extract the three-dimensional (3D) location and size of secondary droplets as well as the 3D morphology of the rim. Particle matching between sequential frames is used to determine the velocity. Coincidence with the results obtained from phase Doppler anemometry measurement demonstrates the accuracy of measurement by DIH and the hybrid method.

  13. Fragmented one dimensional man / El hombre unidimensional fragmentado

    Directory of Open Access Journals (Sweden)

    Juan Antonio Rodríguez del Pino

    2013-10-01

    Full Text Available Paraphrase the title of the famous essay by Herbert Marcuse, since the image has traditionally been generated of man, masculinity, has been one-dimensional. I mean, the man was characterized by traits and behaviors established and entrenched since ancient time, considering all other distinguishing signs as mere deviations from the normative improper. But observe that this undeniable reality, as analyzed various researchers through what has come to be called Men's studies, has proven to be a fallacy difficult to maintain throughout history and today turns into fallacious and ineffective against changes in our current existing corporate models.

  14. Reconstruction of Banknote Fragments Based on Keypoint Matching Method.

    Science.gov (United States)

    Gwo, Chih-Ying; Wei, Chia-Hung; Li, Yue; Chiu, Nan-Hsing

    2015-07-01

    Banknotes may be shredded by a scrap machine, ripped up by hand, or damaged in accidents. This study proposes an image registration method for reconstruction of multiple sheets of banknotes. The proposed method first constructs different scale spaces to identify keypoints in the underlying banknote fragments. Next, the features of those keypoints are extracted to represent their local patterns around keypoints. Then, similarity is computed to find the keypoint pairs between the fragment and the reference banknote. The banknote fragments can determine the coordinate and amend the orientation. Finally, an assembly strategy is proposed to piece multiple sheets of banknote fragments together. Experimental results show that the proposed method causes, on average, a deviation of 0.12457 ± 0.12810° for each fragment while the SIFT method deviates 1.16893 ± 2.35254° on average. The proposed method not only reconstructs the banknotes but also decreases the computing cost. Furthermore, the proposed method can estimate relatively precisely the orientation of the banknote fragments to assemble. © 2015 American Academy of Forensic Sciences.

  15. Timing characteristics of a two-dimensional multi-wire cathode strip detector for fission fragments

    International Nuclear Information System (INIS)

    Vind, R.P.; Joshi, B.N.; Jangale, R.V.; Inkar, A.L.; Prajapati, G.K.; John, B.V.; Biswas, D.C.

    2014-01-01

    In the recent past, a gas filled two-dimensional multi-wire cathode strip detector (MCSD) was developed for the detection of fission fragments (FFs). The position resolution was found to be about 1.0 and 1.5 mm in X and Y directions respectively. The detector has three electrode planes consisting of cathode strip (X-plane), anode wires and split-cathode wires (Y-plane). Each thin wire of the anode plane placed between the two cathode planes is essentially independent and behaves like a proportional counter. The construction of the detector in detail has been given in our earlier paper. The position information has been obtained by employing high impedance discrete delay line read out method for extracting position information in X and Y-directions. In this work, the timing characteristics of MCSD detector are reported to explore the possible use of this detector for the measurement of the mass of the fission fragments produced in heavy ion induced fission reactions

  16. Stochastic weighted particle methods for population balance equations with coagulation, fragmentation and spatial inhomogeneity

    International Nuclear Information System (INIS)

    Lee, Kok Foong; Patterson, Robert I.A.; Wagner, Wolfgang; Kraft, Markus

    2015-01-01

    Graphical abstract: -- Highlights: •Problems concerning multi-compartment population balance equations are studied. •A class of fragmentation weight transfer functions is presented. •Three stochastic weighted algorithms are compared against the direct simulation algorithm. •The numerical errors of the stochastic solutions are assessed as a function of fragmentation rate. •The algorithms are applied to a multi-dimensional granulation model. -- Abstract: This paper introduces stochastic weighted particle algorithms for the solution of multi-compartment population balance equations. In particular, it presents a class of fragmentation weight transfer functions which are constructed such that the number of computational particles stays constant during fragmentation events. The weight transfer functions are constructed based on systems of weighted computational particles and each of it leads to a stochastic particle algorithm for the numerical treatment of population balance equations. Besides fragmentation, the algorithms also consider physical processes such as coagulation and the exchange of mass with the surroundings. The numerical properties of the algorithms are compared to the direct simulation algorithm and an existing method for the fragmentation of weighted particles. It is found that the new algorithms show better numerical performance over the two existing methods especially for systems with significant amount of large particles and high fragmentation rates.

  17. Stochastic weighted particle methods for population balance equations with coagulation, fragmentation and spatial inhomogeneity

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kok Foong [Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge CB2 3RA (United Kingdom); Patterson, Robert I.A.; Wagner, Wolfgang [Weierstrass Institute for Applied Analysis and Stochastics, Mohrenstraße 39, 10117 Berlin (Germany); Kraft, Markus, E-mail: mk306@cam.ac.uk [Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge CB2 3RA (United Kingdom); School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, Singapore, 637459 (Singapore)

    2015-12-15

    Graphical abstract: -- Highlights: •Problems concerning multi-compartment population balance equations are studied. •A class of fragmentation weight transfer functions is presented. •Three stochastic weighted algorithms are compared against the direct simulation algorithm. •The numerical errors of the stochastic solutions are assessed as a function of fragmentation rate. •The algorithms are applied to a multi-dimensional granulation model. -- Abstract: This paper introduces stochastic weighted particle algorithms for the solution of multi-compartment population balance equations. In particular, it presents a class of fragmentation weight transfer functions which are constructed such that the number of computational particles stays constant during fragmentation events. The weight transfer functions are constructed based on systems of weighted computational particles and each of it leads to a stochastic particle algorithm for the numerical treatment of population balance equations. Besides fragmentation, the algorithms also consider physical processes such as coagulation and the exchange of mass with the surroundings. The numerical properties of the algorithms are compared to the direct simulation algorithm and an existing method for the fragmentation of weighted particles. It is found that the new algorithms show better numerical performance over the two existing methods especially for systems with significant amount of large particles and high fragmentation rates.

  18. Research on Splicing Method of Digital Relic Fragment Model

    Science.gov (United States)

    Yan, X.; Hu, Y.; Hou, M.

    2018-04-01

    In the course of archaeological excavation, a large number of pieces of cultural relics were unearthed, and the restoration of these fragments was done manually by traditional arts and crafts experts. In this process, cultural relics experts often try to splice the existing cultural relics, and then use adhesive to stick together the fragments of correct location, which will cause irreversible secondary damage to cultural relics. In order to minimize such damage, the surveyors combine 3D laser scanning with computer technology, and use the method of establishing digital cultural relics fragments model to make virtual splicing of cultural relics. The 3D software on the common market can basically achieve the model translation and rotation, using this two functions can be achieved manually splicing between models, mosaic records after the completion of the specific location of each piece of fragments, so as to effectively reduce the damage to the relics had tried splicing process.

  19. Enhanced resolution of DNA restriction fragments: A procedure by two-dimensional electrophoresis and double-labeling

    International Nuclear Information System (INIS)

    Yi, M.; Au, L.C.; Ichikawa, N.; Ts'o, P.O.

    1990-01-01

    A probe-free method was developed to detect DNA rearrangement in bacteria based on the electrophoretic separation of twice-digested restriction fragments of genomic DNA into a two-dimensional (2-D) pattern. The first restriction enzyme digestion was done in solution, followed by electrophoresis of the restriction fragments in one dimension. A second restriction enzyme digestion was carried out in situ in the gel, followed by electrophoresis in a second dimension perpendicular to the first electrophoresis. The 2-D pattern provides for the resolution of 300-400 spots, which are defined and indexed by an x,y coordinate system with size markers. This approach has greatly increased the resolution power over conventional one-dimensional (1-D) electrophoresis. To study DNA rearrangement, a 2-D pattern from a test strain was compared with the 2-D pattern from a reference strain. After the first digestion, genomic DNA fragments from the test strain were labeled with 35S, while those from the reference strain were labeled with 32P. This was done to utilize the difference in the energy emission of 35S and 32P isotopes for autoradiography when two x-ray films were exposed simultaneously on top of the gel after the 2-D electrophoresis. The irradiation from the decay of 35S exposed only the lower film, whereas the irradiation from the decay of 32P exposed both the lower and upper films. Different DNA fragments existed in the test DNA compared with the reference DNA can be identified unambiguously by the differential two 2-D patterns produced on two films upon exposure to the 35S and 32P fragments in the same gel. An appropriate photographic procedure further simplified the process, allowing only the difference in DNA fragments between these two patterns to be shown in the map

  20. Route to three-dimensional fragments using diversity-oriented synthesis.

    Science.gov (United States)

    Hung, Alvin W; Ramek, Alex; Wang, Yikai; Kaya, Taner; Wilson, J Anthony; Clemons, Paul A; Young, Damian W

    2011-04-26

    Fragment-based drug discovery (FBDD) has proven to be an effective means of producing high-quality chemical ligands as starting points for drug-discovery pursuits. The increasing number of clinical candidate drugs developed using FBDD approaches is a testament of the efficacy of this approach. The success of fragment-based methods is highly dependent on the identity of the fragment library used for screening. The vast majority of FBDD has centered on the use of sp(2)-rich aromatic compounds. An expanded set of fragments that possess more 3D character would provide access to a larger chemical space of fragments than those currently used. Diversity-oriented synthesis (DOS) aims to efficiently generate a set of molecules diverse in skeletal and stereochemical properties. Molecules derived from DOS have also displayed significant success in the modulation of function of various "difficult" targets. Herein, we describe the application of DOS toward the construction of a unique set of fragments containing highly sp(3)-rich skeletons for fragment-based screening. Using cheminformatic analysis, we quantified the shapes and physical properties of the new 3D fragments and compared them with a database containing known fragment-like molecules.

  1. The effective fragment molecular orbital method for fragments connected by covalent bonds.

    Directory of Open Access Journals (Sweden)

    Casper Steinmann

    Full Text Available We extend the effective fragment molecular orbital method (EFMO into treating fragments connected by covalent bonds. The accuracy of EFMO is compared to FMO and conventional ab initio electronic structure methods for polypeptides including proteins. Errors in energy for RHF and MP2 are within 2 kcal/mol for neutral polypeptides and 6 kcal/mol for charged polypeptides similar to FMO but obtained two to five times faster. For proteins, the errors are also within a few kcal/mol of the FMO results. We developed both the RHF and MP2 gradient for EFMO. Compared to ab initio, the EFMO optimized structures had an RMSD of 0.40 and 0.44 Å for RHF and MP2, respectively.

  2. Analysis methods for Kevlar shield response to rotor fragments

    Science.gov (United States)

    Gerstle, J. H.

    1977-01-01

    Several empirical and analytical approaches to rotor burst shield sizing are compared and principal differences in metal and fabric dynamic behavior are discussed. The application of transient structural response computer programs to predict Kevlar containment limits is described. For preliminary shield sizing, present analytical methods are useful if insufficient test data for empirical modeling are available. To provide other information useful for engineering design, analytical methods require further developments in material characterization, failure criteria, loads definition, and post-impact fragment trajectory prediction.

  3. The identification method of the nuclear fragments in emulsions

    International Nuclear Information System (INIS)

    Jipa, Alexandru; Ocheseanu, Silvia; Caramarcu, Costin; Calin, Marius; Constantin, Florin; Stan, Emil

    2003-01-01

    The visualization detectors have been successfully used from the beginning of the study of the relativistic nuclear collisions. One of these detectors used in such experiments is the nuclear emulsion. To increase the speed of the passage from pictures to experimental data different methods and tools have been proposed during the time. For identifying the nuclear fragments obtained in the relativistic radioactive beams multiple layers of nuclear emulsions have been exposed in experiments performed at the Synchrophasotron from the JINR Dubna (BECQUEREL Collaboration). The nuclear fragments have been identified using PAVICOM scanning and measuring system. In the present work an identification method based on a real time image processing machine and a reconstruction algorithm based on special conformal transforms is proposed. The results obtained by this method are compared with those obtained using PAVICOM device. Because in this study only pictures have been used, not initial nuclear emulsions, some difficulties in the identification of the nuclear fragments with higher polar angles can appear. Generally, comparable results have been obtained. The authors thank Dr. Pavel Zarubin from JINR Dubna, Laboratory of High Energy Physics, and Dr. Maria Haiduc, Institute of Space Sciences Bucharest-Magurele, for the pictures of the nuclear emulsions exposed in these experiments. (authors)

  4. Structural organization of the human glucocorticoid receptor determined by one- and two-dimensional gel electrophoresis of proteolytic receptor fragments

    International Nuclear Information System (INIS)

    Smith, A.C.; Harmon, J.M.

    1987-01-01

    The structural organization of the steroid-binding protein of the IM-9 cell glucocorticoid receptor was investigated by using one- and two-dimensional gel electrophoresis of proteolytic receptor fragments. One-dimensional sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) of receptor fragments isolated after trypsin digestion of immunopurified [ 3 H]dexamethasone 21-mesylate ([ 3 H]DM-) labeled receptor revealed the presence of a stable 26.5-kilodalton (kDa) steroid-containing non-DNA-binding fragment, derived from a larger, less stable, 29-kDa fragment. The 26.5-kDa tryptic fragment appeared to be completely contained within a 41-kDa, steroid-containing, DNA-binding species isolated after chymotrypsin digestion of the intact protein. Two-dimensional electrophoretic analysis of the [ 3 H]DM-labeled tryptic fragments resolved two 26.5-kDa and two 29-kDa components. This was the same number of isoforms seen in the intact protein, indicating that the charge heterogeneity of the steroid-binding protein is the result of modification within the steroid-containing, non-DNA-binding, 26.5-kDa tryptic fragment. Two-dimensional analysis of the 41-kDa [ 3 H]DM-labeled chymotryptic species revealed a pattern of isoforms more complex than that seen either in the intact protein or in the steroid-containing tryptic fragments. These results suggest that the 41-kDa [ 3 H]DM-labeled species resolved by one-dimensional SDS-PAGE after chymotrypsin digestion may be composed of several distinct proteolytic fragments

  5. Mapping enzymatic catalysis using the effective fragment molecular orbital method

    DEFF Research Database (Denmark)

    Svendsen, Casper Steinmann; Fedorov, Dmitri G.; Jensen, Jan Halborg

    2013-01-01

    We extend the Effective Fragment Molecular Orbital (EFMO) method to the frozen domain approach where only the geometry of an active part is optimized, while the many-body polarization effects are considered for the whole system. The new approach efficiently mapped out the entire reaction path...... of chorismate mutase in less than four days using 80 cores on 20 nodes, where the whole system containing 2398 atoms is treated in the ab initio fashion without using any force fields. The reaction path is constructed automatically with the only assumption of defining the reaction coordinate a priori. We...

  6. Self-gravitational Hydrodynamics with Three-dimensional Adaptive Mesh Refinement: Methodology and Applications to Molecular Cloud Collapse and Fragmentation

    International Nuclear Information System (INIS)

    Truelove, J.K.; Klein, R.I.; McKee, C.F.; Holliman, J.H. II; Truelove, J.K.; McKee, C.F.; Truelove, J.K.; Holliman, J.H. II; Klein, R.I.; Woods, D.T.; McKee, C.F.; Woods, D.T.; Howell, L.H.; Greenough, J.A.

    1998-01-01

    We describe a new code for numerical solution of three-dimensional self-gravitational hydrodynamics problems. This code utilizes the technique of local adaptive mesh refinement (AMR), employing multiple grids at multiple levels of resolution and automatically and dynamically adding and removing these grids as necessary to maintain adequate resolution. This technology allows solution of problems that would be prohibitively expensive with a code using fixed resolution, and it is more versatile and efficient than competing methods of achieving variable resolution. In particular, we apply this technique to simulate the collapse and fragmentation of a molecular cloud, a key step in star formation. The simulation involves many orders of magnitude of variation in length scale as fragments form at positions that are not a priori discernible from general initial conditions. In this paper, we describe the methodology behind this new code and present several illustrative applications. The criterion that guides the degree of adaptive mesh refinement is critical to the success of the scheme, and, for the isothermal problems considered here, we employ the Jeans condition for this purpose. By maintaining resolution finer than the local Jeans length, we set new benchmarks of accuracy by which to measure other codes on each problem we consider, including the uniform collapse of a finite pressured cloud. We find that the uniformly rotating, spherical clouds treated here first collapse to disks in the equatorial plane and then, in the presence of applied perturbations, form filamentary singularities that do not fragment while isothermal. Our results provide numerical confirmation of recent work by Inutsuka ampersand Miyama on this scenario of isothermal filament formation. copyright copyright 1998. The American Astronomical Society

  7. Morphology of the posteromedial fragment in pertrochanteric fractures: A three-dimensional computed tomography analysis.

    Science.gov (United States)

    Sharma, Gaurav; Gn, Kiran Kumar; Khatri, Kavin; Singh, Ravijot; Gamanagatti, Shivanand; Sharma, Vijay

    2017-02-01

    In this study we describe the morphology of the posteromedial fragment in pertrochanteric fractures using 3D CT scans and answer two questions 1) Do differences exist between the 3D CT appearances of posteromedial fragments and the depictions made in the AO classification 2) Does the posteromedial fragment affect stability in pertrochanteric fractures, in terms of fracture collapse? Preoperative CT scans of eight 31-A1 and fifty 31-A2 fractures were analysed. The presence of PM fragment, its fragmentation, greater trochanter (GT) involvement, lesser trochanter (LT) fragment size (in terms of its posterior and medial extent as well as LT length), LT fragment displacement (in terms of medial displacement and rotation) were determined. All fractures were treated with a DHS. Fracture collapse was determined on postoperative radiographs. The relationship between fracture collapse and patient factors including age, gender, fracture type (A1 versus A2), characteristics of the posteromedial fragment, and the presence of a lateral wall fracture were determined. Three out of eight 31-A1 fractures demonstrated a separate GT fragment (three part fracture). Out of the 50 31-A2 fractures, 12 had a single PM fragment, which included the LT and GT in continuity. The more common four part fractures seem to form by further fragmentation of this basic form. In A2 fractures, the GT was almost always broken and the broken fragment comprised a mean 56% of normal GT. The LT fragment involved an average of 74% of the posterior wall, and an average of 36% of the medial wall of the proximal femur. Larger LT fragments were less displaced as compared to smaller fragments. Univariate regression analyses revealed that fracture collapse was significantly correlated with fracture type (A1 versus A2, p 0.036), GT size (p 0.002) and the presence of a lateral wall fracture (pfragmentation of the posteromedial fragment, nor the size of the lesser trochanter fragment was found to predict stability in

  8. Fragmentation of DNA affects the accuracy of the DNA quantitation by the commonly used methods

    Directory of Open Access Journals (Sweden)

    Sedlackova Tatiana

    2013-02-01

    Full Text Available Abstract Background Specific applications and modern technologies, like non-invasive prenatal testing, non-invasive cancer diagnostic and next generation sequencing, are currently in the focus of researchers worldwide. These have common characteristics in use of highly fragmented DNA molecules for analysis. Hence, for the performance of molecular methods, DNA concentration is a crucial parameter; we compared the influence of different levels of DNA fragmentation on the accuracy of DNA concentration measurements. Results In our comparison, the performance of the currently most commonly used methods for DNA concentration measurement (spectrophotometric, fluorometric and qPCR based were tested on artificially fragmented DNA samples. In our comparison, unfragmented and three specifically fragmented DNA samples were used. According to our results, the level of fragmentation did not influence the accuracy of spectrophotometric measurements of DNA concentration, while other methods, fluorometric as well as qPCR-based, were significantly influenced and a decrease in measured concentration was observed with more intensive DNA fragmentation. Conclusions Our study has confirmed that the level of fragmentation of DNA has significant impact on accuracy of DNA concentration measurement with two of three mostly used methods (PicoGreen and qPCR. Only spectrophotometric measurement was not influenced by the level of fragmentation, but sensitivity of this method was lowest among the three tested. Therefore if it is possible the DNA quantification should be performed with use of equally fragmented control DNA.

  9. ALIS-FLP: Amplified ligation selected fragment-length polymorphism method for microbial genotyping

    DEFF Research Database (Denmark)

    Brillowska-Dabrowska, A.; Wianecka, M.; Dabrowski, Slawomir

    2008-01-01

    A DNA fingerprinting method known as ALIS-FLP (amplified ligation selected fragment-length polymorphism) has been developed for selective and specific amplification of restriction fragments from TspRI restriction endonuclease digested genomic DNA. The method is similar to AFLP, but differs...

  10. Fragmentation of sperm DNA using the TUNEL method.

    Science.gov (United States)

    Chenlo, P H; Curi, S M; Pugliese, M N; Ariagno, J I; Sardi-Segovia, M; Furlan, M J; Repetto, H E; Zeitler, E; Cohen, M; Mendeluk, G R

    2014-11-01

    To establish the validity of the TUNEL assay in determining sperm DNA fragmentation, the relationship between the degree of fragmentation and the seminal parameters and the sample needed to conduct the test. We used semen samples from healthy fertile men (n=33), patients who consulted for infertility with a prescription for the TUNEL assay (n=77) and patients with intracytoplasmic sperm injection failure (n=20), analyzed according to the 2010 WHO. The TUNEL/propidium iodide test was performed by flow cytometry, on baseline and post-swim-up samples. The cutoff value for the TUNEL assay (ROC curves) was 26%, with a sensitivity and specificity of 85% and 89%, respectively. The pre-swim-up and post-swim-up medians of the results from the TUNEL assay showed no significant differences (17.0% vs. 12.9%, respectively). However, 39.1% of the samples showed a difference greater than 15 in absolute value between the results of the baseline and post-swim-up TUNEL assays. The linear correlation study of the morphology, mobility and vitality using the post-swim-up TUNEL assay showed a greater correlation than preselection, with significant results (r: -0.394, P<.0001; r: -0.461, P<.0001; r: -0.526, P<.0001). The TUNEL assay is a valid test for clinical use. DNA fragmentation is a factor independent from traditional semen tests. We found a greater susceptibility to damage generated in the laboratory procedures in the samples with lower quality. The sample of choice for evaluating DNA fragmentation will depend on whether the clinician is treating a natural or assisted fertilization. Copyright © 2014 AEU. Published by Elsevier Espana. All rights reserved.

  11. The linearly scaling 3D fragment method for large scale electronic structure calculations

    Energy Technology Data Exchange (ETDEWEB)

    Zhao Zhengji [National Energy Research Scientific Computing Center (NERSC) (United States); Meza, Juan; Shan Hongzhang; Strohmaier, Erich; Bailey, David; Wang Linwang [Computational Research Division, Lawrence Berkeley National Laboratory (United States); Lee, Byounghak, E-mail: ZZhao@lbl.go [Physics Department, Texas State University (United States)

    2009-07-01

    The linearly scaling three-dimensional fragment (LS3DF) method is an O(N) ab initio electronic structure method for large-scale nano material simulations. It is a divide-and-conquer approach with a novel patching scheme that effectively cancels out the artificial boundary effects, which exist in all divide-and-conquer schemes. This method has made ab initio simulations of thousand-atom nanosystems feasible in a couple of hours, while retaining essentially the same accuracy as the direct calculation methods. The LS3DF method won the 2008 ACM Gordon Bell Prize for algorithm innovation. Our code has reached 442 Tflop/s running on 147,456 processors on the Cray XT5 (Jaguar) at OLCF, and has been run on 163,840 processors on the Blue Gene/P (Intrepid) at ALCF, and has been applied to a system containing 36,000 atoms. In this paper, we will present the recent parallel performance results of this code, and will apply the method to asymmetric CdSe/CdS core/shell nanorods, which have potential applications in electronic devices and solar cells.

  12. Technique for Increasing the Selectivity of the Method of Laser Fragmentation/Laser-Induced Fluorescence

    Science.gov (United States)

    Bobrovnikov, S. M.; Gorlov, E. V.; Zharkov, V. I.

    2018-05-01

    A technique for increasing the selectivity of the method of detecting high-energy materials (HEMs) based on laser fragmentation of HEM molecules with subsequent laser excitation of fluorescence of the characteristic NO fragments from the first vibrational level of the ground state is suggested.

  13. Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

    Science.gov (United States)

    Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

    2011-08-28

    Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

  14. TSOM Method for Nanoelectronics Dimensional Metrology

    International Nuclear Information System (INIS)

    Attota, Ravikiran

    2011-01-01

    Through-focus scanning optical microscopy (TSOM) is a relatively new method that transforms conventional optical microscopes into truly three-dimensional metrology tools for nanoscale to microscale dimensional analysis. TSOM achieves this by acquiring and analyzing a set of optical images collected at various focus positions going through focus (from above-focus to under-focus). The measurement resolution is comparable to what is possible with typical light scatterometry, scanning electron microscopy (SEM) and atomic force microscopy (AFM). TSOM method is able to identify nanometer scale difference, type of the difference and magnitude of the difference between two nano/micro scale targets using a conventional optical microscope with visible wavelength illumination. Numerous industries could benefit from the TSOM method--such as the semiconductor industry, MEMS, NEMS, biotechnology, nanomanufacturing, data storage, and photonics. The method is relatively simple and inexpensive, has a high throughput, provides nanoscale sensitivity for 3D measurements and could enable significant savings and yield improvements in nanometrology and nanomanufacturing. Potential applications are demonstrated using experiments and simulations.

  15. Three-dimensional image signals: processing methods

    Science.gov (United States)

    Schiopu, Paul; Manea, Adrian; Craciun, Anca-Ileana; Craciun, Alexandru

    2010-11-01

    Over the years extensive studies have been carried out to apply coherent optics methods in real-time processing, communications and transmission image. This is especially true when a large amount of information needs to be processed, e.g., in high-resolution imaging. The recent progress in data-processing networks and communication systems has considerably increased the capacity of information exchange. We describe the results of literature investigation research of processing methods for the signals of the three-dimensional images. All commercially available 3D technologies today are based on stereoscopic viewing. 3D technology was once the exclusive domain of skilled computer-graphics developers with high-end machines and software. The images capture from the advanced 3D digital camera can be displayed onto screen of the 3D digital viewer with/ without special glasses. For this is needed considerable processing power and memory to create and render the complex mix of colors, textures, and virtual lighting and perspective necessary to make figures appear three-dimensional. Also, using a standard digital camera and a technique called phase-shift interferometry we can capture "digital holograms." These are holograms that can be stored on computer and transmitted over conventional networks. We present some research methods to process "digital holograms" for the Internet transmission and results.

  16. A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors

    DEFF Research Database (Denmark)

    Fidom, Kimberley; Isberg, Vignir; Hauser, Alexander Sebastian

    2015-01-01

    and receptor residue pairs, from crystal structure complexes. We describe the procedure to collect a library with more than 250 fragments covering 29 residue positions within the generic transmembrane binding pocket. We describe how the library fragments are recombined and inferred to build pharmacophores...... for new targets. A validating retrospective virtual screening of histamine H1 and H3 receptor pharmacophores yielded area-under-the-curves of 0.88 and 0.82, respectively. The fragment-based method has the unique advantage that it can be applied to targets for which no (homologous) crystal structures...... or ligands are known. 47% of the class A G protein-coupled receptors can be targeted with at least four-element pharmacophores. The fragment libraries can also be used to grow known ligands or for rotamer refinement of homology models. Researchers can download the complete fragment library or a subset...

  17. An efficient method for isolating antibody fragments against small peptides by antibody phage display

    DEFF Research Database (Denmark)

    Duan, Zhi; Siegumfeldt, Henrik

    2010-01-01

    We generated monoclonal scFv (single chain variable fragment) antibodies from an antibody phage display library towards three small synthetic peptides derived from the sequence of s1-casein. Key difficulties for selection of scFv-phages against small peptides were addressed. Small peptides do....... The scFvs were sequenced and characterized, and specificity was characterized by ELISA. The methods developed in this study are universally applicable for antibody phage display to efficiently produce antibody fragments against small peptides....

  18. Hot-stage microscopy for determination of API fragmentation: comparison with other methods.

    Science.gov (United States)

    Šimek, Michal; Grünwaldová, Veronika; Kratochvíl, Bohumil

    2016-08-01

    Although the fragmentation of the active pharmaceutical ingredient (API) is a phenomenon that is mentioned in many literature sources, no well-suited analytical tools for its investigation are currently known. We used the hot-stage microscopy method, already presented in our previous work, and studied the real fragmentation of the tadalafil particles in model tablets which were prepared under different compaction pressures. The morphology, spectral imaging and evaluation of plastic and elastic energies were also analyzed to support the hot-stage method. The prepared blend of tadalafil and excipients was compacted under a several forces from 5 to 35 kN to reveal the trend of fragmentation. The exact fragmentation of tadalafil with increased compaction pressure was revealed by the hot-stage microscopic method and it was in good agreement with plastic and elastic energies. Conversely, spectral imaging, which is being used for this analysis, was considered to be inaccurate methodology as mainly agglomerates, not individual particles, were measured. The availability of the hot-stage microscopic method equips pharmaceutical scientists with an in vitro assessment technique that will more reliably determine the fragmentation of the API in finished tablets and the behavior of the particles when compacted.

  19. Immobilization of Fab' fragments onto substrate surfaces: A survey of methods and applications.

    Science.gov (United States)

    Crivianu-Gaita, Victor; Thompson, Michael

    2015-08-15

    Antibody immobilization onto surfaces has widespread applications in many different fields. It is desirable to bind antibodies such that their fragment-antigen-binding (Fab) units are oriented away from the surface in order to maximize analyte binding. The immobilization of only Fab' fragments yields benefits over the more traditional whole antibody immobilization technique. Bound Fab' fragments display higher surface densities, yielding a higher binding capacity for the analyte. The nucleophilic sulfide of the Fab' fragments allows for specific orientations to be achieved. For biosensors, this indicates a higher sensitivity and lower detection limit for a target analyte. The last thirty years have shown tremendous progress in the immobilization of Fab' fragments onto gold, Si-based, polysaccharide-based, plastic-based, magnetic, and inorganic surfaces. This review will show the current scope of Fab' immobilization techniques available and illustrate methods employed to minimize non-specific adsorption of undesirables. Furthermore, a variety of examples will be given to show the versatility of immobilized Fab' fragments in different applications and future directions of the field will be addressed, especially regarding biosensors. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Thermochemical Fragment Energy Method for Biomolecules: Application to a Collagen Model Peptide.

    Science.gov (United States)

    Suárez, Ernesto; Díaz, Natalia; Suárez, Dimas

    2009-06-09

    Herein, we first review different methodologies that have been proposed for computing the quantum mechanical (QM) energy and other molecular properties of large systems through a linear combination of subsystem (fragment) energies, which can be computed using conventional QM packages. Particularly, we emphasize the similarities among the different methods that can be considered as variants of the multibody expansion technique. Nevertheless, on the basis of thermochemical arguments, we propose yet another variant of the fragment energy methods, which could be useful for, and readily applicable to, biomolecules using either QM or hybrid quantum mechanical/molecular mechanics methods. The proposed computational scheme is applied to investigate the stability of a triple-helical collagen model peptide. To better address the actual applicability of the fragment QM method and to properly compare with experimental data, we compute average energies by carrying out single-point fragment QM calculations on structures generated by a classical molecular dynamics simulation. The QM calculations are done using a density functional level of theory combined with an implicit solvent model. Other free-energy terms such as attractive dispersion interactions or thermal contributions are included using molecular mechanics. The importance of correcting both the intermolecular and intramolecular basis set superposition error (BSSE) in the QM calculations is also discussed in detail. On the basis of the favorable comparison of our fragment-based energies with experimental data and former theoretical results, we conclude that the fragment QM energy strategy could be an interesting addition to the multimethod toolbox for biomolecular simulations in order to investigate those situations (e.g., interactions with metal clusters) that are beyond the range of applicability of common molecular mechanics methods.

  1. Quantum mechanical fragment methods based on partitioning atoms or partitioning coordinates.

    Science.gov (United States)

    Wang, Bo; Yang, Ke R; Xu, Xuefei; Isegawa, Miho; Leverentz, Hannah R; Truhlar, Donald G

    2014-09-16

    Conspectus The development of more efficient and more accurate ways to represent reactive potential energy surfaces is a requirement for extending the simulation of large systems to more complex systems, longer-time dynamical processes, and more complete statistical mechanical sampling. One way to treat large systems is by direct dynamics fragment methods. Another way is by fitting system-specific analytic potential energy functions with methods adapted to large systems. Here we consider both approaches. First we consider three fragment methods that allow a given monomer to appear in more than one fragment. The first two approaches are the electrostatically embedded many-body (EE-MB) expansion and the electrostatically embedded many-body expansion of the correlation energy (EE-MB-CE), which we have shown to yield quite accurate results even when one restricts the calculations to include only electrostatically embedded dimers. The third fragment method is the electrostatically embedded molecular tailoring approach (EE-MTA), which is more flexible than EE-MB and EE-MB-CE. We show that electrostatic embedding greatly improves the accuracy of these approaches compared with the original unembedded approaches. Quantum mechanical fragment methods share with combined quantum mechanical/molecular mechanical (QM/MM) methods the need to treat a quantum mechanical fragment in the presence of the rest of the system, which is especially challenging for those parts of the rest of the system that are close to the boundary of the quantum mechanical fragment. This is a delicate matter even for fragments that are not covalently bonded to the rest of the system, but it becomes even more difficult when the boundary of the quantum mechanical fragment cuts a bond. We have developed a suite of methods for more realistically treating interactions across such boundaries. These methods include redistributing and balancing the external partial atomic charges and the use of tuned fluorine

  2. The use of many-body expansions and geometry optimizations in fragment-based methods.

    Science.gov (United States)

    Fedorov, Dmitri G; Asada, Naoya; Nakanishi, Isao; Kitaura, Kazuo

    2014-09-16

    Conspectus Chemists routinely work with complex molecular systems: solutions, biochemical molecules, and amorphous and composite materials provide some typical examples. The questions one often asks are what are the driving forces for a chemical phenomenon? How reasonable are our views of chemical systems in terms of subunits, such as functional groups and individual molecules? How can one quantify the difference in physicochemical properties of functional units found in a different chemical environment? Are various effects on functional units in molecular systems additive? Can they be represented by pairwise potentials? Are there effects that cannot be represented in a simple picture of pairwise interactions? How can we obtain quantitative values for these effects? Many of these questions can be formulated in the language of many-body effects. They quantify the properties of subunits (fragments), referred to as one-body properties, pairwise interactions (two-body properties), couplings of two-body interactions described by three-body properties, and so on. By introducing the notion of fragments in the framework of quantum chemistry, one obtains two immense benefits: (a) chemists can finally relate to quantum chemistry, which now speaks their language, by discussing chemically interesting subunits and their interactions and (b) calculations become much faster due to a reduced computational scaling. For instance, the somewhat academic sounding question of the importance of three-body effects in water clusters is actually another way of asking how two hydrogen bonds affect each other, when they involve three water molecules. One aspect of this is the many-body charge transfer (CT), because the charge transfers in the two hydrogen bonds are coupled to each other (not independent). In this work, we provide a generalized view on the use of many-body expansions in fragment-based methods, focusing on the general aspects of the property expansion and a contraction of a

  3. Mapping Enzymatic Catalysis Using the Effective Fragment Molecular Orbital Method: Towards all ab initio Biochemistry

    DEFF Research Database (Denmark)

    Svendsen, Casper Steinmann; Jensen, Jan; Fedorov, Dmitri

    2013-01-01

    We extend the Effective Fragment Molecular Orbital (EFMO) method to the frozen domain approach where only the geometry of an active part is optimized, while the many-body polarization effects are considered for the whole system. The new approach efficiently mapped out the entire reaction path of ...

  4. Investigation of the Rock Fragmentation Process by a Single TBM Cutter Using a Voronoi Element-Based Numerical Manifold Method

    Science.gov (United States)

    Liu, Quansheng; Jiang, Yalong; Wu, Zhijun; Xu, Xiangyu; Liu, Qi

    2018-04-01

    In this study, a two-dimensional Voronoi element-based numerical manifold method (VE-NMM) is developed to analyze the granite fragmentation process by a single tunnel boring machine (TBM) cutter under different confining stresses. A Voronoi tessellation technique is adopted to generate the polygonal grain assemblage to approximate the microstructure of granite sample from the Gubei colliery of Huainan mining area in China. A modified interface contact model with cohesion and tensile strength is embedded into the numerical manifold method (NMM) to interpret the interactions between the rock grains. Numerical uniaxial compression and Brazilian splitting tests are first conducted to calibrate and validate the VE-NMM models based on the laboratory experiment results using a trial-and-error method. On this basis, numerical simulations of rock fragmentation by a single TBM cutter are conducted. The simulated crack initiation and propagation process as well as the indentation load-penetration depth behaviors in the numerical models accurately predict the laboratory indentation test results. The influence of confining stress on rock fragmentation is also investigated. Simulation results show that radial tensile cracks are more likely to be generated under a low confining stress, eventually coalescing into a major fracture along the loading axis. However, with the increase in confining stress, more side cracks initiate and coalesce, resulting in the formation of rock chips at the upper surface of the model. In addition, the peak indentation load also increases with the increasing confining stress, indicating that a higher thrust force is usually needed during the TBM boring process in deep tunnels.

  5. From ground state to fission fragments: A complex, multi-dimensional multi-path problem

    International Nuclear Information System (INIS)

    Moeller, P.; Nix, J.R.; Swiatecki, W.J.

    1992-01-01

    Experimental results on the fission properties of nuclei close to 264 Fm show sudden and large changes with a change of only one or two neutrons or protons. The nucleus 258 Fm, for instance, undergoes symmetric fission with a half-life of about 0.4 ms and a kinetic-energy distribution peaked at about 235 MeV whereas 256 Fm undergoes asymmetric fission with a half-life of about 3 h and a kinetic-energy distribution peaked at about 200 MeV. Qualitatively, these sudden changes have been postulated to be due to the emergence of fragment shells in symmetric-fission products close to 132 Sn. Here we present a quantitative calculation that shows where high-kinetic-energy symmetric fusion occurs and why it is associated with a sudden and large decrease in fission half-lives. We base our study on calculations of potential-energy surfaces in the macroscopic-microscopic model and a semi-empirical model for the nuclear inertia. We use the three-quadratic-surface parameterization to generate the shapes for which the potential-energy surfaces are calculated. The use of this parameterization and the use of the finite-range macroscopic model allows for the study of two touching spheres and similar shapes. Since these shapes are thought to correspond to the scission shapes for the high-kinetic-energy events it is of crucial importance that a continuous sequence of shapes leading from the nuclear ground state to these configurations can be studied within the framework of the model. We present the results of the calculations in terms of potential-energy surfaces and fission half-lives for heavy even nuclei. The surfaces are displayed in the form of contour diagrams as functions of two moments of the shape. They clearly show the appearance of a second fission valley, which leads to scission configurations close to tow touching spheres, for fissioning systems in the vicinity of 264 Fm

  6. Three-dimensional display techniques: description and critique of methods

    International Nuclear Information System (INIS)

    Budinger, T.F.

    1982-01-01

    The recent advances in non invasive medical imaging of 3 dimensional spatial distribution of radionuclides, X-ray attenuation coefficients, and nuclear magnetic resonance parameters necessitate development of a general method for displaying these data. The objective of this paper is to give a systematic description and comparison of known methods for displaying three dimensional data. The discussion of display methods is divided into two major categories: 1) computer-graphics methods which use a two dimensional display screen; and 2) optical methods (such as holography, stereopsis and vari-focal systems)

  7. Utility of three-dimensional method for diagnosing meniscal lesions

    International Nuclear Information System (INIS)

    Ohshima, Suguru; Nomura, Kazutoshi; Hirano, Mako; Hashimoto, Noburo; Fukumoto, Tetsuya; Katahira, Kazuhiro

    1998-01-01

    MRI of the knee is a useful method for diagnosing meniscal tears. Although the spin echo method is usually used for diagnosing meniscal tears, we examined the utility of thin slice scan with the three-dimensional method. We reviewed 70 menisci in which arthroscopic findings were confirmed. In this series, sensitivity was 90.9% for medial meniscal injuries and 68.8% for lateral meniscal injuries. There were 3 meniscal tears in which we could not detect tears on preoperative MRI. We could find tears in two of these cases when re-evaluated using the same MRI. In conclusion, we can get the same diagnostic rate with the three-dimensional method compared with the spin echo method. Scan time of the three-dimensional method is 3 minutes, on the other hand that of spin echo method in 17 minutes. This slice scan with three-dimensional method is useful for screening meniscal injuries before arthroscopy. (author)

  8. Elaboration of a model of the nuclear fragmentation and application to the method of isotopic separation of projectile fragments

    International Nuclear Information System (INIS)

    Gaimard, J.J.

    1990-10-01

    In this thesis the experimental results on the cross sections for the production of 36 P in the fragmentation of 403 MeV/u 40 Ar on a carbon target are presented. Furthermore some models of the nuclear fragmentation are elaborated and compared by means of experimental data for the production of gold and cerium isotopes in the reaction 12 C+ 209 Bi at 400 MeV/u, of chlorine, sulfur, aluminium, magnesium, and oxygen isotopes in the reactions 40 Ar+ 12 C at 600 MeV/u and 48 Ca+ 9 Be at 212 MeV/u, and of cobalt, manganese, vanadium, and scandium isotopes together with the charge distributions for A=43 and A=44 in the reactions 40 Ar+ 64 Cu at 2 GeV/u and 56 Fe+ 12 C at 600 MeV/u. (HSI)

  9. Method of dimensionality reduction in contact mechanics and friction

    CERN Document Server

    Popov, Valentin L

    2015-01-01

    This book describes for the first time a simulation method for the fast calculation of contact properties and friction between rough surfaces in a complete form. In contrast to existing simulation methods, the method of dimensionality reduction (MDR) is based on the exact mapping of various types of three-dimensional contact problems onto contacts of one-dimensional foundations. Within the confines of MDR, not only are three dimensional systems reduced to one-dimensional, but also the resulting degrees of freedom are independent from another. Therefore, MDR results in an enormous reduction of the development time for the numerical implementation of contact problems as well as the direct computation time and can ultimately assume a similar role in tribology as FEM has in structure mechanics or CFD methods, in hydrodynamics. Furthermore, it substantially simplifies analytical calculation and presents a sort of “pocket book edition” of the entirety contact mechanics. Measurements of the rheology of bodies in...

  10. White blood cell fragments in platelet concentrates prepared by the platelet-rich plasma or buffy-coat methods

    NARCIS (Netherlands)

    Dijkstra-Tiekstra, M. J.; van der Schoot, C. E.; Pietersz, R. N. I.; Reesink, H. W.

    2005-01-01

    BACKGROUND AND OBJECTIVES: White blood cell (WBC) fragments in platelet concentrates (PCs) may induce allo-immunization in the recipient. MATERIALS AND METHODS: As the level of WBC fragments can differ between PCs produced using different methods, we compared PCs prepared by using the buffy-coat

  11. DIAGNOSTIC CHARACTERISTICS OF THE COMPUTER TESTS FORMED BY METHOD OF RESTORED FRAGMENTS

    Directory of Open Access Journals (Sweden)

    Oleksandr O. Petkov

    2013-03-01

    Full Text Available Definition of validity and reliability of tests which are formed by a method of restored fragments is considered in the article. The structure of the controlled theoretical material of limit field of knowledge, language expressions that describe the subject of control, and reliability of test, is analyzed. The technique of definition of the most important components of reliability of the considered tests is given: reliability of quantitative determination of coefficient of assimilation and technological reliability. Results of the lead pedagogical experiments have proved, that tests of the given class allow to make the control of mastering of a theoretical material over a level of reproduction in any field of knowledge with high reliability. It is shown, that validity tests with restored fragments basically caused by a degree of structurization and methodical study of a controllable material and can achieve beforehand set parameters, down to a level of absolute validity.

  12. Identification of Histamine H3 Receptor Ligands Using a New Crystal Structure Fragment-based Method

    DEFF Research Database (Denmark)

    Frandsen, Ida Osborn; Boesgaard, Michael W; Fidom, Kimberley

    2017-01-01

    Virtual screening offers an efficient alternative to high-throughput screening in the identification of pharmacological tools and lead compounds. Virtual screening is typically based on the matching of target structures or ligand pharmacophores to commercial or in-house compound catalogues....... The complete pharmacophore fragment library is freely available through the GPCR database, GPCRdb, allowing the successful application herein to be repeated for most of the 285 class A GPCR targets. The method could also easily be adapted to other protein families....

  13. DIAGNOSTIC CHARACTERISTICS OF THE COMPUTER TESTS FORMED BY METHOD OF RESTORED FRAGMENTS

    OpenAIRE

    Oleksandr O. Petkov

    2013-01-01

    Definition of validity and reliability of tests which are formed by a method of restored fragments is considered in the article. The structure of the controlled theoretical material of limit field of knowledge, language expressions that describe the subject of control, and reliability of test, is analyzed. The technique of definition of the most important components of reliability of the considered tests is given: reliability of quantitative determination of coefficient of assimilation and te...

  14. New method for solving three-dimensional Schroedinger equation

    International Nuclear Information System (INIS)

    Melezhik, V.S.

    1990-01-01

    The method derived recently for solving a multidimensional scattering problem is applied to a three-dimensional Schroedinger equation. As compared with direct three-dimensional calculations of finite elements and finite differences, this approach gives sufficiently accurate upper and lower approximations to the helium-atom binding energy, which demonstrates its efficiency. 15 refs.; 1 fig.; 2 tabs

  15. Inverse method for determining radon diffusion coefficient and free radon production rate of fragmented uranium ore

    International Nuclear Information System (INIS)

    Ye, Yong-jun; Wang, Li-heng; Ding, De-xin; Zhao, Ya-li; Fan, Nan-bin

    2014-01-01

    The radon diffusion coefficient and the free radon production rate are important parameters for describing radon migration in the fragmented uranium ore. In order to determine the two parameters, the pure diffusion migration equation for radon was firstly established and its analytic solution with the two parameters to be determined was derived. Then, a self manufactured experimental column was used to simulate the pure diffusion of the radon, the improved scintillation cell method was used to measure the pore radon concentrations at different depths of the column loaded with the fragmented uranium ore, and the nonlinear least square algorithm was used to inversely determine the radon diffusion coefficient and the free radon production rate. Finally, the solution with the two inversely determined parameters was used to predict the pore radon concentrations at some depths of the column, and the predicted results were compared with the measured results. The results show that the predicted results are in good agreement with the measured results and the numerical inverse method is applicable to the determination of the radon diffusion coefficient and the free radon production rate for the fragmented uranium ore. - Highlights: • Inverse method for determining two transport parameters of radon is proposed. • A self-made experimental apparatus is used to simulate radon diffusion process. • Sampling volume and position for measuring radon concentration are optimized. • The inverse results of an experimental sample are verified

  16. Development of the Fragment Molecular Orbital Method for Calculating Nonlocal Excitations in Large Molecular Systems.

    Science.gov (United States)

    Fujita, Takatoshi; Mochizuki, Yuji

    2018-04-19

    We developed the fragment-based method for calculating nonlocal excitations in large molecular systems. This method is based on the multilayer fragment molecular orbital method and the configuration interaction single (CIS) wave function using localized molecular orbitals. The excited-state wave function for the whole system is described as a superposition of configuration state functions (CSFs) for intrafragment excitations and for interfragment charge-transfer excitations. The formulation and calculations of singlet excited-state Hamiltonian matrix elements in the fragment CSFs are presented in detail. The efficient approximation schemes for calculating the matrix elements are also presented. The computational efficiency and the accuracy were evaluated using the molecular dimers and molecular aggregates. We confirmed that absolute errors of 50 meV (relative to the conventional calculations) are achievable for the molecular systems in their equilibrium geometries. The perturbative electron correlation correction to the CIS excitation energies is also demonstrated. The present theory can compute a large number of excited states in large molecular systems; in addition, it allows for the systematic derivation of a model exciton Hamiltonian. These features are useful for studying excited-state dynamics in condensed molecular systems based on the ab initio electronic structure theory.

  17. Hypothesis-driven and field-validated method to prioritize fragmentation mitigation efforts in road projects.

    Science.gov (United States)

    Vanthomme, Hadrien; Kolowski, Joseph; Nzamba, Brave S; Alonso, Alfonso

    2015-10-01

    The active field of connectivity conservation has provided numerous methods to identify wildlife corridors with the aim of reducing the ecological effect of fragmentation. Nevertheless, these methods often rely on untested hypotheses of animal movements, usually fail to generate fine-scale predictions of road crossing sites, and do not allow managers to prioritize crossing sites for implementing road fragmentation mitigation measures. We propose a new method that addresses these limitations. We illustrate this method with data from southwestern Gabon (central Africa). We used stratified random transect surveys conducted in two seasons to model the distribution of African forest elephant (Loxodonta cyclotis), forest buffalo (Syncerus caffer nanus), and sitatunga (Tragelaphus spekii) in a mosaic landscape along a 38.5 km unpaved road scheduled for paving. Using a validation data set of recorded crossing locations, we evaluated the performance of three types of models (local suitability, local least-cost movement, and regional least-cost movement) in predicting actual road crossings for each species, and developed a unique and flexible scoring method for prioritizing road sections for the implementation of road fragmentation mitigation measures. With a data set collected in method was able to identify seasonal changes in animal movements for buffalo and sitatunga that shift from a local exploitation of the site in the wet season to movements through the study site in the dry season, whereas elephants use the entire study area in both seasons. These three species highlighted the need to use species- and season-specific modeling of movement. From these movement models, the method ranked road sections for their suitability for implementing fragmentation mitigation efforts, allowing managers to adjust priority thresholds based on budgets and management goals. The method relies on data that can be obtained in a period compatible with environmental impact assessment

  18. Direct Linear Transformation Method for Three-Dimensional Cinematography

    Science.gov (United States)

    Shapiro, Robert

    1978-01-01

    The ability of Direct Linear Transformation Method for three-dimensional cinematography to locate points in space was shown to meet the accuracy requirements associated with research on human movement. (JD)

  19. Iterative Two- and One-Dimensional Methods for Three-Dimensional Neutron Diffusion Calculations

    International Nuclear Information System (INIS)

    Lee, Hyun Chul; Lee, Deokjung; Downar, Thomas J.

    2005-01-01

    Two methods are proposed for solving the three-dimensional neutron diffusion equation by iterating between solutions of the two-dimensional (2-D) radial and one-dimensional (1-D) axial solutions. In the first method, the 2-D/1-D equations are coupled using a current correction factor (CCF) with the average fluxes of the lower and upper planes and the axial net currents at the plane interfaces. In the second method, an analytic expression for the axial net currents at the interface of the planes is used for planar coupling. A comparison of the new methods is made with two previously proposed methods, which use interface net currents and partial currents for planar coupling. A Fourier convergence analysis of the four methods was performed, and results indicate that the two new methods have at least three advantages over the previous methods. First, the new methods are unconditionally stable, whereas the net current method diverges for small axial mesh size. Second, the new methods provide better convergence performance than the other methods in the range of practical mesh sizes. Third, the spectral radii of the new methods asymptotically approach zero as the mesh size increases, while the spectral radius of the partial current method approaches a nonzero value as the mesh size increases. Of the two new methods proposed here, the analytic method provides a smaller spectral radius than the CCF method, but the CCF method has several advantages over the analytic method in practical applications

  20. Fragmentation, Cost and Environmental Effects of Plaster Stemming Method for Blasting at A Basalt Quarry

    Science.gov (United States)

    Cevizci, Halim

    2014-10-01

    In this study, the plaster stemming application for blasting at a basalt quarry is studied. Drill cuttings are generally used in open pits and quarries as the most common stemming material since these are most readily available at blast sites. However, dry drill cuttings eject very easily from blastholes without offering much resistance to blast energy. The plaster stemming method has been found to be better than the drill cuttings stemming method due to increased confinement inside the hole and better utilization of blast explosive energy in the rock. The main advantage of the new stemming method is the reduction in the cost of blasting. At a basalt quarry, blasting costs per unit volume of rock were reduced to 15% by increasing burden and spacing distances. In addition, better fragmentation was obtained by using the plaster stemming method. Blast trials showed that plaster stemming produced finer material. In the same blast tests, +30 cm size fragments were reduced to 47.3% of the total, compared to 32.6% in the conventional method of drill cuttings stemming. With this method of stemming, vibration and air shock values increased slightly due to more blast energy being available for rock breakage but generally these increased values were small and stayed under the permitted limit for blast damage criteria unless measuring distance is too close.

  1. Three-dimensional space charge calculation method

    International Nuclear Information System (INIS)

    Lysenko, W.P.; Wadlinger, E.A.

    1981-01-01

    A method is presented for calculating space-charge forces suitable for use in a particle tracing code. Poisson's equation is solved in three dimensions with boundary conditions specified on an arbitrary surface by using a weighted residual method. Using a discrete particle distribution as our source input, examples are shown of off-axis, bunched beams of noncircular crosssection in radio-frequency quadrupole (RFQ) and drift-tube linac geometries

  2. Flow cytometric method for measuring chromatin fragmentation in fixed sperm from yellow perch (Perca flavescens).

    Science.gov (United States)

    Jenkins, J A; Draugelis-Dale, R O; Pinkney, A E; Iwanowicz, L R; Blazer, V S

    2015-03-15

    Declining harvests of yellow perch, Perca flavescens, in urbanized watersheds of Chesapeake Bay have prompted investigations of their reproductive fitness. The purpose of this study was to establish a flow cytometric technique for DNA analysis of fixed samples sent from the field to provide reliable gamete quality measurements. Similar to the sperm chromatin structure assay, measures were made on the susceptibility of nuclear DNA to acid-induced denaturation, but used fixed rather than live or thawed cells. Nuclei were best exposed to the acid treatment for 1 minute at 37 °C followed by the addition of cold (4 °C) propidium iodide staining solution before flow cytometry. The rationale for protocol development is presented graphically through cytograms. Field results collected in 2008 and 2009 revealed DNA fragmentation up to 14.5%. In 2008, DNA fragmentation from the more urbanized watersheds was significantly greater than from reference sites (P = 0.026) and in 2009, higher percentages of haploid testicular cells were noted from the less urbanized watersheds (P = 0.032) indicating better reproductive condition at sites with less urbanization. For both years, total and progressive live sperm motilities by computer-assisted sperm motion analysis ranged from 19.1% to 76.5%, being significantly higher at the less urbanized sites (P < 0.05). This flow cytometric method takes advantage of the propensity of fragmented DNA to be denatured under standard conditions, or 1 minute at 37 °C with 10% buffered formalin-fixed cells. The study of fixed sperm makes possible the restrospective investigation of germplasm fragmentation, spermatogenic ploidy patterns, and chromatin compaction levels from samples translocated over distance and time. The protocol provides an approach that can be modified for other species across taxa. Published by Elsevier Inc.

  3. Variational iteration method for one dimensional nonlinear thermoelasticity

    International Nuclear Information System (INIS)

    Sweilam, N.H.; Khader, M.M.

    2007-01-01

    This paper applies the variational iteration method to solve the Cauchy problem arising in one dimensional nonlinear thermoelasticity. The advantage of this method is to overcome the difficulty of calculation of Adomian's polynomials in the Adomian's decomposition method. The numerical results of this method are compared with the exact solution of an artificial model to show the efficiency of the method. The approximate solutions show that the variational iteration method is a powerful mathematical tool for solving nonlinear problems

  4. [Analysis of Conformational Features of Watson-Crick Duplex Fragments by Molecular Mechanics and Quantum Mechanics Methods].

    Science.gov (United States)

    Poltev, V I; Anisimov, V M; Sanchez, C; Deriabina, A; Gonzalez, E; Garcia, D; Rivas, F; Polteva, N A

    2016-01-01

    It is generally accepted that the important characteristic features of the Watson-Crick duplex originate from the molecular structure of its subunits. However, it still remains to elucidate what properties of each subunit are responsible for the significant characteristic features of the DNA structure. The computations of desoxydinucleoside monophosphates complexes with Na-ions using density functional theory revealed a pivotal role of DNA conformational properties of single-chain minimal fragments in the development of unique features of the Watson-Crick duplex. We found that directionality of the sugar-phosphate backbone and the preferable ranges of its torsion angles, combined with the difference between purines and pyrimidines. in ring bases, define the dependence of three-dimensional structure of the Watson-Crick duplex on nucleotide base sequence. In this work, we extended these density functional theory computations to the minimal' fragments of DNA duplex, complementary desoxydinucleoside monophosphates complexes with Na-ions. Using several computational methods and various functionals, we performed a search for energy minima of BI-conformation for complementary desoxydinucleoside monophosphates complexes with different nucleoside sequences. Two sequences are optimized using ab initio method at the MP2/6-31++G** level of theory. The analysis of torsion angles, sugar ring puckering and mutual base positions of optimized structures demonstrates that the conformational characteristic features of complementary desoxydinucleoside monophosphates complexes with Na-ions remain within BI ranges and become closer to the corresponding characteristic features of the Watson-Crick duplex crystals. Qualitatively, the main characteristic features of each studied complementary desoxydinucleoside monophosphates complex remain invariant when different computational methods are used, although the quantitative values of some conformational parameters could vary lying within the

  5. A sparse grid based method for generative dimensionality reduction of high-dimensional data

    Science.gov (United States)

    Bohn, Bastian; Garcke, Jochen; Griebel, Michael

    2016-03-01

    Generative dimensionality reduction methods play an important role in machine learning applications because they construct an explicit mapping from a low-dimensional space to the high-dimensional data space. We discuss a general framework to describe generative dimensionality reduction methods, where the main focus lies on a regularized principal manifold learning variant. Since most generative dimensionality reduction algorithms exploit the representer theorem for reproducing kernel Hilbert spaces, their computational costs grow at least quadratically in the number n of data. Instead, we introduce a grid-based discretization approach which automatically scales just linearly in n. To circumvent the curse of dimensionality of full tensor product grids, we use the concept of sparse grids. Furthermore, in real-world applications, some embedding directions are usually more important than others and it is reasonable to refine the underlying discretization space only in these directions. To this end, we employ a dimension-adaptive algorithm which is based on the ANOVA (analysis of variance) decomposition of a function. In particular, the reconstruction error is used to measure the quality of an embedding. As an application, the study of large simulation data from an engineering application in the automotive industry (car crash simulation) is performed.

  6. A multi-dimensional sampling method for locating small scatterers

    International Nuclear Information System (INIS)

    Song, Rencheng; Zhong, Yu; Chen, Xudong

    2012-01-01

    A multiple signal classification (MUSIC)-like multi-dimensional sampling method (MDSM) is introduced to locate small three-dimensional scatterers using electromagnetic waves. The indicator is built with the most stable part of signal subspace of the multi-static response matrix on a set of combinatorial sampling nodes inside the domain of interest. It has two main advantages compared to the conventional MUSIC methods. First, the MDSM is more robust against noise. Second, it can work with a single incidence even for multi-scatterers. Numerical simulations are presented to show the good performance of the proposed method. (paper)

  7. A feasibility study of the use of DNA fragmentation as a method for detecting irradiation of food

    International Nuclear Information System (INIS)

    Jones, J.L.; Bulford, B.B.

    1990-07-01

    The main conclusions of the study are: 1. Gamma-irradiation at doses of 1-10 kGy, as recommended for use in food irradiation, causes extensive fragmentation of DNA molecules. The degree of fragmentation increases with increasing doses of irradiation treatment. 2. Irradiation-induced DNA fragments can be rapidly separated from intact DNA using a simple ultra-filtration method. 3. The separated DNA fragments can be detected/quantified rapidly using the simple Invitrogen DNA DipStick procedure. Dot-blot assays based on probes to widely conserved genes (e.g. histone genes) may also prove of value, but will require further development. 4. As DNA is present in a wide range of foods, DNA fragmentation offers a potentially useful marker for the irradiation treatment of foods. The assay now requires assessment with DNA extracts of a variety of foods. (author)

  8. Irregular grid methods for pricing high-dimensional American options

    NARCIS (Netherlands)

    Berridge, S.J.

    2004-01-01

    This thesis proposes and studies numerical methods for pricing high-dimensional American options; important examples being basket options, Bermudan swaptions and real options. Four new methods are presented and analysed, both in terms of their application to various test problems, and in terms of

  9. A novel method to discover fluoroquinolone antibiotic resistance (qnr genes in fragmented nucleotide sequences

    Directory of Open Access Journals (Sweden)

    Boulund Fredrik

    2012-12-01

    Full Text Available Abstract Background Broad-spectrum fluoroquinolone antibiotics are central in modern health care and are used to treat and prevent a wide range of bacterial infections. The recently discovered qnr genes provide a mechanism of resistance with the potential to rapidly spread between bacteria using horizontal gene transfer. As for many antibiotic resistance genes present in pathogens today, qnr genes are hypothesized to originate from environmental bacteria. The vast amount of data generated by shotgun metagenomics can therefore be used to explore the diversity of qnr genes in more detail. Results In this paper we describe a new method to identify qnr genes in nucleotide sequence data. We show, using cross-validation, that the method has a high statistical power of correctly classifying sequences from novel classes of qnr genes, even for fragments as short as 100 nucleotides. Based on sequences from public repositories, the method was able to identify all previously reported plasmid-mediated qnr genes. In addition, several fragments from novel putative qnr genes were identified in metagenomes. The method was also able to annotate 39 chromosomal variants of which 11 have previously not been reported in literature. Conclusions The method described in this paper significantly improves the sensitivity and specificity of identification and annotation of qnr genes in nucleotide sequence data. The predicted novel putative qnr genes in the metagenomic data support the hypothesis of a large and uncharacterized diversity within this family of resistance genes in environmental bacterial communities. An implementation of the method is freely available at http://bioinformatics.math.chalmers.se/qnr/.

  10. A DETERMINISTIC METHOD FOR TRANSIENT, THREE-DIMENSIONAL NUETRON TRANSPORT

    International Nuclear Information System (INIS)

    S. GOLUOGLU, C. BENTLEY, R. DEMEGLIO, M. DUNN, K. NORTON, R. PEVEY I.SUSLOV AND H.L. DODDS

    1998-01-01

    A deterministic method for solving the time-dependent, three-dimensional Boltzmam transport equation with explicit representation of delayed neutrons has been developed and evaluated. The methodology used in this study for the time variable of the neutron flux is known as the improved quasi-static (IQS) method. The position, energy, and angle-dependent neutron flux is computed deterministically by using the three-dimensional discrete ordinates code TORT. This paper briefly describes the methodology and selected results. The code developed at the University of Tennessee based on this methodology is called TDTORT. TDTORT can be used to model transients involving voided and/or strongly absorbing regions that require transport theory for accuracy. This code can also be used to model either small high-leakage systems, such as space reactors, or asymmetric control rod movements. TDTORT can model step, ramp, step followed by another step, and step followed by ramp type perturbations. It can also model columnwise rod movement can also be modeled. A special case of columnwise rod movement in a three-dimensional model of a boiling water reactor (BWR) with simple adiabatic feedback is also included. TDTORT is verified through several transient one-dimensional, two-dimensional, and three-dimensional benchmark problems. The results show that the transport methodology and corresponding code developed in this work have sufficient accuracy and speed for computing the dynamic behavior of complex multidimensional neutronic systems

  11. Composition and method for detecting cancer with technetium labeled antibody fragments

    International Nuclear Information System (INIS)

    Burchiel, S. W.; Crockford, D. R.; Rhodes, B. A.

    1984-01-01

    F(ab') 2 or Fab fragments of antibodies to: (a) human chorionic gonadotropin (hCG), hCG alpha subunit, hCG beta subunit, or an hCG-like material; or (b) other tumor specific or tumor associated molecules, to include carcinoembryonic antigen (CEA), alpha fetoprotein (AFP), human melanoma associated antigens, human sarcoma associated antigens or other antigens, are radiolabeled with technetium-99m (Tc-99m). When the F(ab') 2 or Fab fragments of antibody to such tumor associated antigens are injected intravenously into a patient, the radiolabeled composition accumulates at tumor sites. The accumulation of the cancer seeking radiopharmaceutical at tumor sites permits detection by external gamma scintigraphy. Thus, the composition is useful in the monitoring, localization and detection of cancer in the body. In an alternative composition, a double antibody approach to tumor localization using radiolabeled F(ab') 2 or Fab fragments is utilized. In this approach, a tumor specific antibody in the form of IgG, F(ab') 2 or Fab is first administered to a patient intravenously. Following a sufficient period of time, a second antibody in the form of F(ab') 2 or Fab is administered. The second antibody is radiolabeled with Tc-99m and has the property that it is reactive with the first antibody. This double antibody method has the advantage over a single antibody approach in that smaller tumors can be localized and detected and that the total amount of radioactive trace localized at the cancer site is increased

  12. A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments.

    Science.gov (United States)

    Sellers, Benjamin D; James, Natalie C; Gobbi, Alberto

    2017-06-26

    Reducing internal strain energy in small molecules is critical for designing potent drugs. Quantum mechanical (QM) and molecular mechanical (MM) methods are often used to estimate these energies. In an effort to determine which methods offer an optimal balance in accuracy and performance, we have carried out torsion scan analyses on 62 fragments. We compared nine QM and four MM methods to reference energies calculated at a higher level of theory: CCSD(T)/CBS single point energies (coupled cluster with single, double, and perturbative triple excitations at the complete basis set limit) calculated on optimized geometries using MP2/6-311+G**. The results show that both the more recent MP2.X perturbation method as well as MP2/CBS perform quite well. In addition, combining a Hartree-Fock geometry optimization with a MP2/CBS single point energy calculation offers a fast and accurate compromise when dispersion is not a key energy component. Among MM methods, the OPLS3 force field accurately reproduces CCSD(T)/CBS torsion energies on more test cases than the MMFF94s or Amber12:EHT force fields, which struggle with aryl-amide and aryl-aryl torsions. Using experimental conformations from the Cambridge Structural Database, we highlight three example structures for which OPLS3 significantly overestimates the strain. The energies and conformations presented should enable scientists to estimate the expected error for the methods described and we hope will spur further research into QM and MM methods.

  13. A method of image improvement in three-dimensional imaging

    International Nuclear Information System (INIS)

    Suto, Yasuzo; Huang, Tewen; Furuhata, Kentaro; Uchino, Masafumi.

    1988-01-01

    In general, image interpolation is required when the surface configurations of such structures as bones and organs are three-dimensionally constructed from the multi-sliced images obtained by CT. Image interpolation is a processing method whereby an artificial image is inserted between two adjacent slices to make spatial resolution equal to slice resolution in appearance. Such image interpolation makes it possible to increase the image quality of the constructed three-dimensional image. In our newly-developed algorithm, we have converted the presently and subsequently sliced images to distance images, and generated the interpolation images from these two distance images. As a result, compared with the previous method, three-dimensional images with better image quality have been constructed. (author)

  14. Computational methods for three-dimensional microscopy reconstruction

    CERN Document Server

    Frank, Joachim

    2014-01-01

    Approaches to the recovery of three-dimensional information on a biological object, which are often formulated or implemented initially in an intuitive way, are concisely described here based on physical models of the object and the image-formation process. Both three-dimensional electron microscopy and X-ray tomography can be captured in the same mathematical framework, leading to closely-related computational approaches, but the methodologies differ in detail and hence pose different challenges. The editors of this volume, Gabor T. Herman and Joachim Frank, are experts in the respective methodologies and present research at the forefront of biological imaging and structural biology.   Computational Methods for Three-Dimensional Microscopy Reconstruction will serve as a useful resource for scholars interested in the development of computational methods for structural biology and cell biology, particularly in the area of 3D imaging and modeling.

  15. Novel method for the production of spin-aligned RI beams in projectile fragmentation reaction with the dispersion matching technique

    Energy Technology Data Exchange (ETDEWEB)

    Ichikawa, Y., E-mail: yuichikawa@phys.titech.ac.jp [Tokyo Institute of Technology, Department of Physics (Japan); Ueno, H. [RIKEN Nishina Center (Japan); Ishii, Y. [Tokyo Institute of Technology, Department of Physics (Japan); Furukawa, T. [Tokyo Metropolitan University, Department of Physics (Japan); Yoshimi, A. [Okayama University, Research Core for Extreme Quantum World (Japan); Kameda, D.; Watanabe, H.; Aoi, N. [RIKEN Nishina Center (Japan); Asahi, K. [Tokyo Institute of Technology, Department of Physics (Japan); Balabanski, D. L. [Bulgarian Academy of Sciences, Institute for Nuclear Research and Nuclear Energy (Bulgaria); Chevrier, R.; Daugas, J. M. [CEA, DAM, DIF (France); Fukuda, N. [RIKEN Nishina Center (Japan); Georgiev, G. [CSNSM, IN2P3-CNRS, Universite Paris-sud (France); Hayashi, H.; Iijima, H. [Tokyo Institute of Technology, Department of Physics (Japan); Inabe, N. [RIKEN Nishina Center (Japan); Inoue, T. [Tokyo Institute of Technology, Department of Physics (Japan); Ishihara, M.; Kubo, T. [RIKEN Nishina Center (Japan); and others

    2013-05-15

    A novel method to produce spin-aligned rare-isotope (RI) beam has been developed, that is the two-step projectile fragmentation method with a technique of dispersion matching. The present method was verified in an experiment at the RIKEN RIBF, where an RI beam of {sup 32}Al with spin alignment of 8(1) % was successfully produced from a primary beam of {sup 48}Ca, with {sup 33}Al as an intermediate nucleus. Figure of merit of the present method was found to be improved by a factor larger than 50 compared with a conventional method employing single-step projectile fragmentation.

  16. An Alternative to Conventional Rock Fragmentation Methods Using SCDA: A Review

    Directory of Open Access Journals (Sweden)

    Radhika Vidanage De Silva

    2016-11-01

    Full Text Available Global energy and material consumption are expected to rise in exponential proportions during the next few decades, generating huge demands for deep earth energy (oil/gas recovery and mineral processing. Under such circumstances, the continuation of existing methods in rock fragmentation in such applications is questionable due to the proven adverse environmental impacts associated with them. In this regard; the possibility of using more environmentally friendly options as Soundless Chemical Demolition Agents (SCDAs play a vital role in replacing harmful conventional rock fragmentation techniques for gas; oil and mineral recovery. This study reviews up to date research on soundless cracking demolition agent (SCDA application on rock fracturing including its limitations and strengths, possible applications in the petroleum industry and the possibility of using existing rock fragmentation models for SCDA-based rock fragmentation; also known as fracking. Though the expansive properties of SCDAs are currently used in some demolition works, the poor usage guidelines available reflect the insufficient research carried out on its material’s behavior. SCDA is a cementitious powdery substance with quicklime (CaO as its primary ingredient that expands upon contact with water; which results in a huge expansive pressure if this CaO hydration reaction occurs in a confined condition. So, the mechanism can be used for rock fragmentation by injecting the SCDA into boreholes of a rock mass; where the resulting expansive pressure is sufficient to create an effective fracture network in the confined rock mass around the borehole. This expansive pressure development, however, dependent on many factors, where formation water content creates a negative influence on this due to required greater degree of hydration under greater water contents and temperature creates a positive influence by accelerating the reaction. Having a precise understanding of the fracture

  17. The stress analysis method for three-dimensional composite materials

    Science.gov (United States)

    Nagai, Kanehiro; Yokoyama, Atsushi; Maekawa, Zen'ichiro; Hamada, Hiroyuki

    1994-05-01

    This study proposes a stress analysis method for three-dimensionally fiber reinforced composite materials. In this method, the rule-of mixture for composites is successfully applied to 3-D space in which material properties would change 3-dimensionally. The fundamental formulas for Young's modulus, shear modulus, and Poisson's ratio are derived. Also, we discuss a strength estimation and an optimum material design technique for 3-D composite materials. The analysis is executed for a triaxial orthogonally woven fabric, and their results are compared to the experimental data in order to verify the accuracy of this method. The present methodology can be easily understood with basic material mechanics and elementary mathematics, so it enables us to write a computer program of this theory without difficulty. Furthermore, this method can be applied to various types of 3-D composites because of its general-purpose characteristics.

  18. The Validity of Dimensional Regularization Method on Fractal Spacetime

    Directory of Open Access Journals (Sweden)

    Yong Tao

    2013-01-01

    Full Text Available Svozil developed a regularization method for quantum field theory on fractal spacetime (1987. Such a method can be applied to the low-order perturbative renormalization of quantum electrodynamics but will depend on a conjectural integral formula on non-integer-dimensional topological spaces. The main purpose of this paper is to construct a fractal measure so as to guarantee the validity of the conjectural integral formula.

  19. Determination of fragment orbitals and LCFO MO's in semiempirical methods with overlap matrices

    International Nuclear Information System (INIS)

    Konstantinavicius, K.V.; Lazauskas, V.M.

    1988-01-01

    We propose a technique for a fragment stage solution of the Roothaan equations, allowing us to obtain fragment orbitals (FO's) and to form molecular orbitals (LCFO MO'S) for the molecule from them. As an example, in the Mulliken-Wolfsberg-Helmholtz (MWH) approximation we obtain the orbitals for fragments of the simplest hydrocarbon molecules and we compare them with the FO's found in the CNDO/2 approximation. We discuss the possibilities in perturbation theory for joining the fragments and for study of the properties of the molecules in the FO basis

  20. Predicting Flavin and Nicotinamide Adenine Dinucleotide-Binding Sites in Proteins Using the Fragment Transformation Method

    Directory of Open Access Journals (Sweden)

    Chih-Hao Lu

    2015-01-01

    Full Text Available We developed a computational method to identify NAD- and FAD-binding sites in proteins. First, we extracted from the Protein Data Bank structures of proteins that bind to at least one of these ligands. NAD-/FAD-binding residue templates were then constructed by identifying binding residues through the ligand-binding database BioLiP. The fragment transformation method was used to identify structures within query proteins that resembled the ligand-binding templates. By comparing residue types and their relative spatial positions, potential binding sites were identified and a ligand-binding potential for each residue was calculated. Setting the false positive rate at 5%, our method predicted NAD- and FAD-binding sites at true positive rates of 67.1% and 68.4%, respectively. Our method provides excellent results for identifying FAD- and NAD-binding sites in proteins, and the most important is that the requirement of conservation of residue types and local structures in the FAD- and NAD-binding sites can be verified.

  1. A simple three dimensional wide-angle beam propagation method

    Science.gov (United States)

    Ma, Changbao; van Keuren, Edward

    2006-05-01

    The development of three dimensional (3-D) waveguide structures for chip scale planar lightwave circuits (PLCs) is hampered by the lack of effective 3-D wide-angle (WA) beam propagation methods (BPMs). We present a simple 3-D wide-angle beam propagation method (WA-BPM) using Hoekstra’s scheme along with a new 3-D wave equation splitting method. The applicability, accuracy and effectiveness of our method are demonstrated by applying it to simulations of wide-angle beam propagation and comparing them with analytical solutions.

  2. Nonlinear dimensionality reduction methods for synthetic biology biobricks' visualization.

    Science.gov (United States)

    Yang, Jiaoyun; Wang, Haipeng; Ding, Huitong; An, Ning; Alterovitz, Gil

    2017-01-19

    Visualizing data by dimensionality reduction is an important strategy in Bioinformatics, which could help to discover hidden data properties and detect data quality issues, e.g. data noise, inappropriately labeled data, etc. As crowdsourcing-based synthetic biology databases face similar data quality issues, we propose to visualize biobricks to tackle them. However, existing dimensionality reduction methods could not be directly applied on biobricks datasets. Hereby, we use normalized edit distance to enhance dimensionality reduction methods, including Isomap and Laplacian Eigenmaps. By extracting biobricks from synthetic biology database Registry of Standard Biological Parts, six combinations of various types of biobricks are tested. The visualization graphs illustrate discriminated biobricks and inappropriately labeled biobricks. Clustering algorithm K-means is adopted to quantify the reduction results. The average clustering accuracy for Isomap and Laplacian Eigenmaps are 0.857 and 0.844, respectively. Besides, Laplacian Eigenmaps is 5 times faster than Isomap, and its visualization graph is more concentrated to discriminate biobricks. By combining normalized edit distance with Isomap and Laplacian Eigenmaps, synthetic biology biobircks are successfully visualized in two dimensional space. Various types of biobricks could be discriminated and inappropriately labeled biobricks could be determined, which could help to assess crowdsourcing-based synthetic biology databases' quality, and make biobricks selection.

  3. Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase

    Energy Technology Data Exchange (ETDEWEB)

    Landon, Melissa R.; Lieberman, Raquel L.; Hoang, Quyen Q.; Ju, Shulin; Caaveiro, Jose M.M.; Orwig, Susan D.; Kozakov, Dima; Brenke, Ryan; Chuang, Gwo-Yu; Beglov, Dmitry; Vajda, Sandor; Petsko, Gregory A.; Ringe, Dagmar; (BU-M); (Brandeis); (GIT)

    2010-08-04

    The identification of hot spots, i.e., binding regions that contribute substantially to the free energy of ligand binding, is a critical step for structure-based drug design. Here we present the application of two fragment-based methods to the detection of hot spots for DJ-1 and glucocerebrosidase (GCase), targets for the development of therapeutics for Parkinson's and Gaucher's diseases, respectively. While the structures of these two proteins are known, binding information is lacking. In this study we employ the experimental multiple solvent crystal structures (MSCS) method and computational fragment mapping (FTMap) to identify regions suitable for the development of pharmacological chaperones for DJ-1 and GCase. Comparison of data derived via MSCS and FTMap also shows that FTMap, a computational method for the identification of fragment binding hot spots, is an accurate and robust alternative to the performance of expensive and difficult crystallographic experiments.

  4. Wave field restoration using three-dimensional Fourier filtering method.

    Science.gov (United States)

    Kawasaki, T; Takai, Y; Ikuta, T; Shimizu, R

    2001-11-01

    A wave field restoration method in transmission electron microscopy (TEM) was mathematically derived based on a three-dimensional (3D) image formation theory. Wave field restoration using this method together with spherical aberration correction was experimentally confirmed in through-focus images of amorphous tungsten thin film, and the resolution of the reconstructed phase image was successfully improved from the Scherzer resolution limit to the information limit. In an application of this method to a crystalline sample, the surface structure of Au(110) was observed in a profile-imaging mode. The processed phase image showed quantitatively the atomic relaxation of the topmost layer.

  5. New method for solving three-dimensional Schroedinger equation

    International Nuclear Information System (INIS)

    Melezhik, V.S.

    1992-01-01

    A new method is developed for solving the multidimensional Schroedinger equation without the variable separation. To solve the Schroedinger equation in a multidimensional coordinate space X, a difference grid Ω i (i=1,2,...,N) for some of variables, Ω, from X={R,Ω} is introduced and the initial partial-differential equation is reduced to a system of N differential-difference equations in terms of one of the variables R. The arising multi-channel scattering (or eigenvalue) problem is solved by the algorithm based on a continuous analog of the Newton method. The approach has been successfully tested for several two-dimensional problems (scattering on a nonspherical potential well and 'dipole' scatterer, a hydrogen atom in a homogenous magnetic field) and for a three-dimensional problem of the helium-atom bound states. (author)

  6. Application of the fragment molecular orbital method analysis to fragment-based drug discovery of BET (bromodomain and extra-terminal proteins) inhibitors.

    Science.gov (United States)

    Ozawa, Motoyasu; Ozawa, Tomonaga; Ueda, Kazuyoshi

    2017-06-01

    The molecular interactions of inhibitors of bromodomains (BRDs) were investigated. BRDs are protein interaction modules that recognizing ε-N-acetyl-lysine (εAc-Lys) motifs found in histone tails and are promising protein-protein interaction (PPI) targets. First, we analyzed a peptide ligand containing εAc-Lys to evaluate native PPIs. We then analyzed tetrahydroquinazoline-6-yl-benzensulfonamide derivatives found by fragment-based drug design (FBDD) and examined their interactions with the protein compared with the peptide ligand in terms of the inter-fragment interaction energy. In addition, we analyzed benzodiazepine derivatives that are high-affinity ligands for BRDs and examined differences in the CH/π interactions of the amino acid residues. We further surveyed changes in the charges of the amino acid residues among individual ligands, performed pair interaction energy decomposition analysis and estimated the water profile within the ligand binding site. Thus, useful insights for drug design were provided. Through these analyses and considerations, we show that the FMO method is a useful drug design tool to evaluate the process of FBDD and to explore PPI inhibitors. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. On two flexible methods of 2-dimensional regression analysis

    Czech Academy of Sciences Publication Activity Database

    Volf, Petr

    2012-01-01

    Roč. 18, č. 4 (2012), s. 154-164 ISSN 1803-9782 Grant - others:GA ČR(CZ) GAP209/10/2045 Institutional support: RVO:67985556 Keywords : regression analysis * Gordon surface * prediction error * projection pursuit Subject RIV: BB - Applied Statistics, Operational Research http://library.utia.cas.cz/separaty/2013/SI/volf-on two flexible methods of 2-dimensional regression analysis.pdf

  8. Continuum methods of physical modeling continuum mechanics, dimensional analysis, turbulence

    CERN Document Server

    Hutter, Kolumban

    2004-01-01

    The book unifies classical continuum mechanics and turbulence modeling, i.e. the same fundamental concepts are used to derive model equations for material behaviour and turbulence closure and complements these with methods of dimensional analysis. The intention is to equip the reader with the ability to understand the complex nonlinear modeling in material behaviour and turbulence closure as well as to derive or invent his own models. Examples are mostly taken from environmental physics and geophysics.

  9. High dimensional model representation method for fuzzy structural dynamics

    Science.gov (United States)

    Adhikari, S.; Chowdhury, R.; Friswell, M. I.

    2011-03-01

    Uncertainty propagation in multi-parameter complex structures possess significant computational challenges. This paper investigates the possibility of using the High Dimensional Model Representation (HDMR) approach when uncertain system parameters are modeled using fuzzy variables. In particular, the application of HDMR is proposed for fuzzy finite element analysis of linear dynamical systems. The HDMR expansion is an efficient formulation for high-dimensional mapping in complex systems if the higher order variable correlations are weak, thereby permitting the input-output relationship behavior to be captured by the terms of low-order. The computational effort to determine the expansion functions using the α-cut method scales polynomically with the number of variables rather than exponentially. This logic is based on the fundamental assumption underlying the HDMR representation that only low-order correlations among the input variables are likely to have significant impacts upon the outputs for most high-dimensional complex systems. The proposed method is first illustrated for multi-parameter nonlinear mathematical test functions with fuzzy variables. The method is then integrated with a commercial finite element software (ADINA). Modal analysis of a simplified aircraft wing with fuzzy parameters has been used to illustrate the generality of the proposed approach. In the numerical examples, triangular membership functions have been used and the results have been validated against direct Monte Carlo simulations. It is shown that using the proposed HDMR approach, the number of finite element function calls can be reduced without significantly compromising the accuracy.

  10. Labeling and stability of radiolabeled antibody fragments by a direct 99mTc-labeling method

    International Nuclear Information System (INIS)

    Pak, K.Y.; Nedelman, M.A.; Tam, S.H.; Wilson, E.; Daddona, P.E.

    1992-01-01

    The in vitro labeling and stability of 99m Tc-labeled antibody Fab' fragments prepared by a direct labeling technique were evaluated. Eight antibody fragments derived from murine IgG1 (N = 5), IgG2a (N = 2) and IgG3 (N = 1) isotypes were labeled with a preformed 99m Tc-D-glucarate complex. No loss of radioactivity incorporation was observed for all the 99m Tc-labeled antibody fragments after 24 h incubation at 37 o C. 99m Tc-labeled antibody fragments (IgG1, N = 2; IgG2a, n = 2; IgG3, N = 1) were stable upon challenge with DTPA, EDTA or acidic pH. Using the affinity chromatography technique, two of the 99m Tc-labeled antibody fragments displayed no loss of immunoreactivity after prolonged incubation in phosphate buffer up to 24 h at 37 o C. Bonding between 99m Tc and antibody fragments was elucidated by challenging with a diamide ditholate (N 2 S 2 ) compound. The Fab' with IgG2a isotype displayed tighter binding to 99m Tc in comparison to Fab' from IgG1 and IgG3 isotype in N 2 S 2 challenge and incubation with human plasma. The in vivo biodistribution of five 99m Tc-labeled fragments were evaluated in normal mice. (Author)

  11. Controlled fragmentation

    International Nuclear Information System (INIS)

    Arnold, Werner

    2002-01-01

    Contrary to natural fragmentation, controlled fragmentation offers the possibility to adapt fragment parameters like size and mass to the performance requirements in a very flexible way. Known mechanisms like grooves inside the casing, weaken the structure. This is, however, excluded for applications with high accelerations during launch or piercing requirements for example on a semi armor piercing penetrator. Another method to achieve controlled fragmentation with an additional grid layer is presented with which the required grooves are produced 'just in time' inside the casing during detonation of the high explosive. The process of generating the grooves aided by the grid layer was studied using the hydrocode HULL with respect to varying grid designs and material combinations. Subsequent to this, a large range of these theoretically investigated combinations was contemplated in substantial experimental tests. With an optimised grid design and a suitable material selection, the controlled fragment admits a very flexible adaptation to the set requirements. Additional advantages like the increase of perforation performance or incendiary amplification can be realized with the grid layer

  12. Three-dimensional protein structure prediction: Methods and computational strategies.

    Science.gov (United States)

    Dorn, Márcio; E Silva, Mariel Barbachan; Buriol, Luciana S; Lamb, Luis C

    2014-10-12

    A long standing problem in structural bioinformatics is to determine the three-dimensional (3-D) structure of a protein when only a sequence of amino acid residues is given. Many computational methodologies and algorithms have been proposed as a solution to the 3-D Protein Structure Prediction (3-D-PSP) problem. These methods can be divided in four main classes: (a) first principle methods without database information; (b) first principle methods with database information; (c) fold recognition and threading methods; and (d) comparative modeling methods and sequence alignment strategies. Deterministic computational techniques, optimization techniques, data mining and machine learning approaches are typically used in the construction of computational solutions for the PSP problem. Our main goal with this work is to review the methods and computational strategies that are currently used in 3-D protein prediction. Copyright © 2014 Elsevier Ltd. All rights reserved.

  13. Developing an Experimental Simulation Method for Rock Avalanches: Fragmentation Behavior of Brittle Analogue Material

    Science.gov (United States)

    Thordén Haug, Øystein; Rosenau, Matthias; Leever, Karen; Oncken, Onno

    2013-04-01

    Gravitational mass movement on earth and other planets show a scale dependent behavior, of which the physics is not fully understood. In particular, the runout distance for small to medium sized landslides (volume dynamics control small and large landslides/rock avalanches. Several mechanisms have been proposed to explain this scale dependent behavior, but no consensus has been reached. Experimental simulations of rock avalanches usually involve transport of loose granular material down a chute. Though such granular avalanche models provide important insights into avalanche dynamics, they imply that the material fully disintegrate instantaneously. Observations from nature, however, suggests that a transition from solid to "liquid" occurs over some finite distance downhill, critically controlling the mobility and energy budget of the avalanche. Few experimental studies simulated more realistically the material failing during sliding and those were realized in a labscale centrifuge, where the range of volumes/scales is limited. To develop a new modeling technique to study the scale dependent runout behavior of rock avalanches, we designed, tested and verified several brittle materials allowing fragmentation to occur under normal gravity conditions. According to the model similarity theory, the analogue material must behave dynamically similar to the rocks in natural rock avalanches. Ideally, the material should therefore deform in a brittle manner with limited elastic and ductile strains up to a certain critical stress, beyond which the material breaks and deforms irreversibly. According to scaling relations derived from dimensional analysis and for a model-to-prototype length ratio of 1/1000, the appropriate yield strength for an analogue material is in the order of 10 kPa, friction coefficient around 0.8 and stiffness in the order of MPa. We used different sand (garnet, quartz) in combination with different matrix materials (sugar, salt, starch, plaster) to cement

  14. A NEW METHOD FOR ESTIMATING THE 3D SIZE-DISTRIBUTIONCURVE OF FRAGMENTED ROCKS OUT OF 2D IMAGES

    Directory of Open Access Journals (Sweden)

    Souhaïl Outal

    2011-05-01

    Full Text Available Image analysis of rock fragmentation is used in mines and quarries to control the quality of blasting. Obtained information is the particle-size-distribution curve relating volume-proportions to the sizes of fragments. Calculation by image analysis of this particle-size-distribution is carried out in several steps, and each step has its inherent limitations. We will focus in this paper on one of themost crucial steps: reconstructing the volumes (3D. For the 3D-step, we have noticed that, due to the current acquisition method, there is no correlation between the average grey level of surfaces of the fragments and their third dimension. Consequently volumes (3D as well as the sizes (1D has to be calculated indirectly from the extracted projected areas of the visible fragments of images. For this purpose, we have built in laboratory a set of images of fragmented rocks resulting from blasting. Moreover, several tests based on comparisons between image analysis and screening measurements were carried out. A new stereological method, based on the comparison of the densities of probability (histograms of the samemeasurements (with very weak covering and overlappingwas elaborated. It allows us to estimate correctly, for a given type of rock, two intrinsic laws weighing the projected areas distribution in order to predict the volumic distribution.

  15. Two-Dimensional Impact Reconstruction Method for Rail Defect Inspection

    Directory of Open Access Journals (Sweden)

    Jie Zhao

    2014-01-01

    Full Text Available The safety of train operating is seriously menaced by the rail defects, so it is of great significance to inspect rail defects dynamically while the train is operating. This paper presents a two-dimensional impact reconstruction method to realize the on-line inspection of rail defects. The proposed method utilizes preprocessing technology to convert time domain vertical vibration signals acquired by wireless sensor network to space signals. The modern time-frequency analysis method is improved to reconstruct the obtained multisensor information. Then, the image fusion processing technology based on spectrum threshold processing and node color labeling is proposed to reduce the noise, and blank the periodic impact signal caused by rail joints and locomotive running gear. This method can convert the aperiodic impact signals caused by rail defects to partial periodic impact signals, and locate the rail defects. An application indicates that the two-dimensional impact reconstruction method could display the impact caused by rail defects obviously, and is an effective on-line rail defects inspection method.

  16. Development of two dimensional electrophoresis method using single chain DNA

    International Nuclear Information System (INIS)

    Ikeda, Junichi; Hidaka, So

    1998-01-01

    By combining a separation method due to molecular weight and a method to distinguish difference of mono-bases, it was aimed to develop a two dimensional single chain DNA labeled with Radioisotope (RI). From electrophoretic pattern difference of parent and variant strands, it was investigated to isolate the root module implantation control gene. At first, a Single Strand Conformation Polymorphism (SSCP) method using concentration gradient gel was investigated. As a result, it was formed that intervals between double chain and single chain DNAs expanded, but intervals of both single chain DNAs did not expand. On next, combination of non-modified acrylic amide electrophoresis method and Denaturing Gradient-Gel Electrophoresis (DGGE) method was examined. As a result, hybrid DNA developed by two dimensional electrophoresis arranged on two lines. But, among them a band of DNA modified by high concentration of urea could not be found. Therefore, in this fiscal year's experiments, no preferable result could be obtained. By the used method, it was thought to be impossible to detect the differences. (G.K.)

  17. One New Method to Generate 3-Dimensional Virtual Mannequin

    Science.gov (United States)

    Xiu-jin, Shi; Zhi-jun, Wang; Jia-jin, Le

    The personal virtual mannequin is very important in electronic made to measure (eMTM) system. There is one new easy method to generate personal virtual mannequin. First, the characteristic information of customer's body is got from two photos. Secondly, some human body part templates corresponding with the customer are selected from the templates library. Thirdly, these templates are modified and assembled according to certain rules to generate a personalized 3-dimensional human, and then the virtual mannequin is realized. Experimental result shows that the method is easy and feasible.

  18. A multi-method analysis of forest fragmentation and loss: The case ...

    African Journals Online (AJOL)

    Lazie

    2014-02-01

    Feb 1, 2014 ... mented, where the fragmented landscape represents the endpoint of the ... For example, some plants can only be pollinated by a certain kind of bird or ... tropical forests, and of the remainder, temperate and boreal forests ...

  19. Charge transfer interaction using quasiatomic minimal-basis orbitals in the effective fragment potential method

    International Nuclear Information System (INIS)

    Xu, Peng; Gordon, Mark S.

    2013-01-01

    The charge transfer (CT) interaction, the most time-consuming term in the general effective fragment potential method, is made much more computationally efficient. This is accomplished by the projection of the quasiatomic minimal-basis-set orbitals (QUAMBOs) as the atomic basis onto the self-consistent field virtual molecular orbital (MO) space to select a subspace of the full virtual space called the valence virtual space. The diagonalization of the Fock matrix in terms of QUAMBOs recovers the canonical occupied orbitals and, more importantly, gives rise to the valence virtual orbitals (VVOs). The CT energies obtained using VVOs are generally as accurate as those obtained with the full virtual space canonical MOs because the QUAMBOs span the valence part of the virtual space, which can generally be regarded as “chemically important.” The number of QUAMBOs is the same as the number of minimal-basis MOs of a molecule. Therefore, the number of VVOs is significantly smaller than the number of canonical virtual MOs, especially for large atomic basis sets. This leads to a dramatic decrease in the computational cost

  20. A Force Balanced Fragmentation Method for ab Initio Molecular Dynamic Simulation of Protein

    Directory of Open Access Journals (Sweden)

    Mingyuan Xu

    2018-05-01

    Full Text Available A force balanced generalized molecular fractionation with conjugate caps (FB-GMFCC method is proposed for ab initio molecular dynamic simulation of proteins. In this approach, the energy of the protein is computed by a linear combination of the QM energies of individual residues and molecular fragments that account for the two-body interaction of hydrogen bond between backbone peptides. The atomic forces on the caped H atoms were corrected to conserve the total force of the protein. Using this approach, ab initio molecular dynamic simulation of an Ace-(ALA9-NME linear peptide showed the conservation of the total energy of the system throughout the simulation. Further a more robust 110 ps ab initio molecular dynamic simulation was performed for a protein with 56 residues and 862 atoms in explicit water. Compared with the classical force field, the ab initio molecular dynamic simulations gave better description of the geometry of peptide bonds. Although further development is still needed, the current approach is highly efficient, trivially parallel, and can be applied to ab initio molecular dynamic simulation study of large proteins.

  1. The transmission probability method in one-dimensional cylindrical geometry

    International Nuclear Information System (INIS)

    Rubin, I.E.

    1983-01-01

    The collision probability method widely used in solving the problems of neutron transpopt in a reactor cell is reliable for simple cells with small number of zones. The increase of the number of zones and also taking into account the anisotropy of scattering greatly increase the scope of calculations. In order to reduce the time of calculation the transmission probability method is suggested to be used for flux calculation in one-dimensional cylindrical geometry taking into account the scattering anisotropy. The efficiency of the suggested method is verified using the one-group calculations for cylindrical cells. The use of the transmission probability method allows to present completely angular and spatial dependences is neutrons distributions without the increase in the scope of calculations. The method is especially effective in solving the multi-group problems

  2. DLNA: a simple one-dimensional dynamical model as a possible interpretation of fragment size distribution in nuclear multifragmentation

    International Nuclear Information System (INIS)

    Lacroix, D.; Dayras, R.

    1996-08-01

    The possibility of interpreting multifragmentation data obtained from heavy-ion collisions at intermediate energies, by a new type of model: the DLNA (Dynamical Limited Nuclear Aggregation) is discussed. This model is connected to a more general class of models presenting Self-Organization Criticality (SOC). It is shown that the fragment size distributions exhibit a power-law dependence comparable to those obtained in second-order phase transition or percolation models. Fluctuations in term of scaled-factorial moments and cumulants are also studied: no signal of intermittency is seen. (K.A.)

  3. A Simple yet Accurate Method for Students to Determine Asteroid Rotation Periods from Fragmented Light Curve Data

    Science.gov (United States)

    Beare, R. A.

    2008-01-01

    Professional astronomers use specialized software not normally available to students to determine the rotation periods of asteroids from fragmented light curve data. This paper describes a simple yet accurate method based on Microsoft Excel[R] that enables students to find periods in asteroid light curve and other discontinuous time series data of…

  4. Comparison and combination of "direct" and fragment based local correlation methods: Cluster in molecules and domain based local pair natural orbital perturbation and coupled cluster theories

    Science.gov (United States)

    Guo, Yang; Becker, Ute; Neese, Frank

    2018-03-01

    Local correlation theories have been developed in two main flavors: (1) "direct" local correlation methods apply local approximation to the canonical equations and (2) fragment based methods reconstruct the correlation energy from a series of smaller calculations on subsystems. The present work serves two purposes. First, we investigate the relative efficiencies of the two approaches using the domain-based local pair natural orbital (DLPNO) approach as the "direct" method and the cluster in molecule (CIM) approach as the fragment based approach. Both approaches are applied in conjunction with second-order many-body perturbation theory (MP2) as well as coupled-cluster theory with single-, double- and perturbative triple excitations [CCSD(T)]. Second, we have investigated the possible merits of combining the two approaches by performing CIM calculations with DLPNO methods serving as the method of choice for performing the subsystem calculations. Our cluster-in-molecule approach is closely related to but slightly deviates from approaches in the literature since we have avoided real space cutoffs. Moreover, the neglected distant pair correlations in the previous CIM approach are considered approximately. Six very large molecules (503-2380 atoms) were studied. At both MP2 and CCSD(T) levels of theory, the CIM and DLPNO methods show similar efficiency. However, DLPNO methods are more accurate for 3-dimensional systems. While we have found only little incentive for the combination of CIM with DLPNO-MP2, the situation is different for CIM-DLPNO-CCSD(T). This combination is attractive because (1) the better parallelization opportunities offered by CIM; (2) the methodology is less memory intensive than the genuine DLPNO-CCSD(T) method and, hence, allows for large calculations on more modest hardware; and (3) the methodology is applicable and efficient in the frequently met cases, where the largest subsystem calculation is too large for the canonical CCSD(T) method.

  5. Dimensional analysis and qualitative methods in problem solving: II

    International Nuclear Information System (INIS)

    Pescetti, D

    2009-01-01

    We show that the underlying mathematical structure of dimensional analysis (DA), in the qualitative methods in problem-solving context, is the algebra of the affine spaces. In particular, we show that the qualitative problem-solving procedure based on the parallel decomposition of a problem into simple special cases yields the new original mathematical concepts of special points and special representations of affine spaces. A qualitative problem-solving algorithm piloted by the mathematics of DA is illustrated by a set of examples.

  6. Four-Dimensional Data Assimilation Using the Adjoint Method

    Science.gov (United States)

    Bao, Jian-Wen

    The calculus of variations is used to confirm that variational four-dimensional data assimilation (FDDA) using the adjoint method can be implemented when the numerical model equations have a finite number of first-order discontinuous points. These points represent the on/off switches associated with physical processes, for which the Jacobian matrix of the model equation does not exist. Numerical evidence suggests that, in some situations when the adjoint method is used for FDDA, the temperature field retrieved using horizontal wind data is numerically not unique. A physical interpretation of this type of non-uniqueness of the retrieval is proposed in terms of energetics. The adjoint equations of a numerical model can also be used for model-parameter estimation. A general computational procedure is developed to determine the size and distribution of any internal model parameter. The procedure is then applied to a one-dimensional shallow -fluid model in the context of analysis-nudging FDDA: the weighting coefficients used by the Newtonian nudging technique are determined. The sensitivity of these nudging coefficients to the optimal objectives and constraints is investigated. Experiments of FDDA using the adjoint method are conducted using the dry version of the hydrostatic Penn State/NCAR mesoscale model (MM4) and its adjoint. The minimization procedure converges and the initialization experiment is successful. Temperature-retrieval experiments involving an assimilation of the horizontal wind are also carried out using the adjoint of MM4.

  7. New method of 2-dimensional metrology using mask contouring

    Science.gov (United States)

    Matsuoka, Ryoichi; Yamagata, Yoshikazu; Sugiyama, Akiyuki; Toyoda, Yasutaka

    2008-10-01

    We have developed a new method of accurately profiling and measuring of a mask shape by utilizing a Mask CD-SEM. The method is intended to realize high accuracy, stability and reproducibility of the Mask CD-SEM adopting an edge detection algorithm as the key technology used in CD-SEM for high accuracy CD measurement. In comparison with a conventional image processing method for contour profiling, this edge detection method is possible to create the profiles with much higher accuracy which is comparable with CD-SEM for semiconductor device CD measurement. This method realizes two-dimensional metrology for refined pattern that had been difficult to measure conventionally by utilizing high precision contour profile. In this report, we will introduce the algorithm in general, the experimental results and the application in practice. As shrinkage of design rule for semiconductor device has further advanced, an aggressive OPC (Optical Proximity Correction) is indispensable in RET (Resolution Enhancement Technology). From the view point of DFM (Design for Manufacturability), a dramatic increase of data processing cost for advanced MDP (Mask Data Preparation) for instance and surge of mask making cost have become a big concern to the device manufacturers. This is to say, demands for quality is becoming strenuous because of enormous quantity of data growth with increasing of refined pattern on photo mask manufacture. In the result, massive amount of simulated error occurs on mask inspection that causes lengthening of mask production and inspection period, cost increasing, and long delivery time. In a sense, it is a trade-off between the high accuracy RET and the mask production cost, while it gives a significant impact on the semiconductor market centered around the mask business. To cope with the problem, we propose the best method of a DFM solution using two-dimensional metrology for refined pattern.

  8. A method to calculate fission-fragment yields Y(Z,N) versus proton and neutron number in the Brownian shape-motion model. Application to calculations of U and Pu charge yields

    Energy Technology Data Exchange (ETDEWEB)

    Moeller, Peter [Los Alamos National Laboratory, Theoretical Division, Los Alamos, NM (United States); Ichikawa, Takatoshi [Kyoto University, Yukawa Institute for Theoretical Physics, Kyoto (Japan)

    2015-12-15

    We propose a method to calculate the two-dimensional (2D) fission-fragment yield Y(Z,N) versus both proton and neutron number, with inclusion of odd-even staggering effects in both variables. The approach is to use the Brownian shape-motion on a macroscopic-microscopic potential-energy surface which, for a particular compound system is calculated versus four shape variables: elongation (quadrupole moment Q{sub 2}), neck d, left nascent fragment spheroidal deformation ε{sub f1}, right nascent fragment deformation ε{sub f2} and two asymmetry variables, namely proton and neutron numbers in each of the two fragments. The extension of previous models 1) introduces a method to calculate this generalized potential-energy function and 2) allows the correlated transfer of nucleon pairs in one step, in addition to sequential transfer. In the previous version the potential energy was calculated as a function of Z and N of the compound system and its shape, including the asymmetry of the shape. We outline here how to generalize the model from the ''compound-system'' model to a model where the emerging fragment proton and neutron numbers also enter, over and above the compound system composition. (orig.)

  9. On a novel matrix method for three-dimensional photoelasticity

    International Nuclear Information System (INIS)

    Theocaris, P.S.; Gdoutos, E.E.

    1978-01-01

    A non-destructive method for the photoelastic determination of three-dimensional stress distributions, based on the Mueller and Jones calculi, is developed. The differential equations satisfied by the Stokes and Jones vectors, when a polarized light beam passes through a photoelastic model, presenting rotation of the secondary principal stress directions, are established in matrix form. The Peano-Baker method is used for the solution of these differential equations in a matrix series form, establishing the elements of the Mueller and Jones matrices of the photoelastic model. These matrices are experimentally determined by using different wavelengths in conjunction with Jones' 'equivalence theorem'. The Neumann equations are immediately deduced from the above-mentioned differential equations. (orig.) [de

  10. The power to detect recent fragmentation events using genetic differentiation methods.

    Directory of Open Access Journals (Sweden)

    Michael W Lloyd

    Full Text Available Habitat loss and fragmentation are imminent threats to biological diversity worldwide and thus are fundamental issues in conservation biology. Increased isolation alone has been implicated as a driver of negative impacts in populations associated with fragmented landscapes. Genetic monitoring and the use of measures of genetic divergence have been proposed as means to detect changes in landscape connectivity. Our goal was to evaluate the sensitivity of Wright's F st, Hedrick' G'st , Sherwin's MI, and Jost's D to recent fragmentation events across a range of population sizes and sampling regimes. We constructed an individual-based model, which used a factorial design to compare effects of varying population size, presence or absence of overlapping generations, and presence or absence of population sub-structuring. Increases in population size, overlapping generations, and population sub-structuring each reduced F st, G'st , MI, and D. The signal of fragmentation was detected within two generations for all metrics. However, the magnitude of the change in each was small in all cases, and when N e was >100 individuals it was extremely small. Multi-generational sampling and population estimates are required to differentiate the signal of background divergence from changes in Fst , G'st , MI, and D associated with fragmentation. Finally, the window during which rapid change in Fst , G'st , MI, and D between generations occurs can be small, and if missed would lead to inconclusive results. For these reasons, use of F st, G'st , MI, or D for detecting and monitoring changes in connectivity is likely to prove difficult in real-world scenarios. We advocate use of genetic monitoring only in conjunction with estimates of actual movement among patches such that one could compare current movement with the genetic signature of past movement to determine there has been a change.

  11. New method of three-dimensional reconstruction from two-dimensional MR data sets

    International Nuclear Information System (INIS)

    Wrazidlo, W.; Schneider, S.; Brambs, H.J.; Richter, G.M.; Kauffmann, G.W.; Geiger, B.; Fischer, C.

    1989-01-01

    In medical diagnosis and therapy, cross-sectional images are obtained by means of US, CT, or MR imaging. The authors propose a new solution to the problem of constructing a shape over a set of cross-sectional contours from two-dimensional (2D) MR data sets. The authors' method reduces the problem of constructing a shape over the cross sections to one of constructing a sequence of partial shapes, each of them connecting two cross sections lying on adjacent planes. The solution makes use of the Delaunay triangulation, which is isomorphic in that specific situation. The authors compute this Delaunay triangulation. Shape reconstruction is then achieved section by pruning Delaunay triangulations

  12. Modeling of three-dimensional diffusible resistors with the one-dimensional tube multiplexing method

    International Nuclear Information System (INIS)

    Gillet, Jean-Numa; Degorce, Jean-Yves; Meunier, Michel

    2009-01-01

    Electronic-behavior modeling of three-dimensional (3D) p + -π-p + and n + -ν-n + semiconducting diffusible devices with highly accurate resistances for the design of analog resistors, which are compatible with the CMOS (complementary-metal-oxide-semiconductor) technologies, is performed in three dimensions with the fast tube multiplexing method (TMM). The current–voltage (I–V) curve of a silicon device is usually computed with traditional device simulators of technology computer-aided design (TCAD) based on the finite-element method (FEM). However, for the design of 3D p + -π-p + and n + -ν-n + diffusible resistors, they show a high computational cost and convergence that may fail with fully non-separable 3D dopant concentration profiles as observed in many diffusible resistors resulting from laser trimming. These problems are avoided with the proposed TMM, which divides the 3D resistor into one-dimensional (1D) thin tubes with longitudinal axes following the main orientation of the average electrical field in the tubes. The I–V curve is rapidly obtained for a device with a realistic 3D dopant profile, since a system of three first-order ordinary differential equations has to be solved for each 1D multiplexed tube with the TMM instead of three second-order partial differential equations in the traditional TCADs. Simulations with the TMM are successfully compared to experimental results from silicon-based 3D resistors fabricated by laser-induced dopant diffusion in the gaps of MOSFETs (metal-oxide-semiconductor field-effect transistors) without initial gate. Using thin tubes with other shapes than parallelepipeds as ring segments with toroidal lateral surfaces, the TMM can be generalized to electronic devices with other types of 3D diffusible microstructures

  13. Exact rebinning methods for three-dimensional PET.

    Science.gov (United States)

    Liu, X; Defrise, M; Michel, C; Sibomana, M; Comtat, C; Kinahan, P; Townsend, D

    1999-08-01

    The high computational cost of data processing in volume PET imaging is still hindering the routine application of this successful technique, especially in the case of dynamic studies. This paper describes two new algorithms based on an exact rebinning equation, which can be applied to accelerate the processing of three-dimensional (3-D) PET data. The first algorithm, FOREPROJ, is a fast-forward projection algorithm that allows calculation of the 3-D attenuation correction factors (ACF's) directly from a two-dimensional (2-D) transmission scan, without first reconstructing the attenuation map and then performing a 3-D forward projection. The use of FOREPROJ speeds up the estimation of the 3-D ACF's by more than a factor five. The second algorithm, FOREX, is a rebinning algorithm that is also more than five times faster, compared to the standard reprojection algorithm (3DRP) and does not suffer from the image distortions generated by the even faster approximate Fourier rebinning (FORE) method at large axial apertures. However, FOREX is probably not required by most existing scanners, as the axial apertures are not large enough to show improvements over FORE with clinical data. Both algorithms have been implemented and applied to data simulated for a scanner with a large axial aperture (30 degrees), and also to data acquired with the ECAT HR and the ECAT HR+ scanners. Results demonstrate the excellent accuracy achieved by these algorithms and the important speedup when the sinogram sizes are powers of two.

  14. RNA FRABASE 2.0: an advanced web-accessible database with the capacity to search the three-dimensional fragments within RNA structures

    Directory of Open Access Journals (Sweden)

    Wasik Szymon

    2010-05-01

    Full Text Available Abstract Background Recent discoveries concerning novel functions of RNA, such as RNA interference, have contributed towards the growing importance of the field. In this respect, a deeper knowledge of complex three-dimensional RNA structures is essential to understand their new biological functions. A number of bioinformatic tools have been proposed to explore two major structural databases (PDB, NDB in order to analyze various aspects of RNA tertiary structures. One of these tools is RNA FRABASE 1.0, the first web-accessible database with an engine for automatic search of 3D fragments within PDB-derived RNA structures. This search is based upon the user-defined RNA secondary structure pattern. In this paper, we present and discuss RNA FRABASE 2.0. This second version of the system represents a major extension of this tool in terms of providing new data and a wide spectrum of novel functionalities. An intuitionally operated web server platform enables very fast user-tailored search of three-dimensional RNA fragments, their multi-parameter conformational analysis and visualization. Description RNA FRABASE 2.0 has stored information on 1565 PDB-deposited RNA structures, including all NMR models. The RNA FRABASE 2.0 search engine algorithms operate on the database of the RNA sequences and the new library of RNA secondary structures, coded in the dot-bracket format extended to hold multi-stranded structures and to cover residues whose coordinates are missing in the PDB files. The library of RNA secondary structures (and their graphics is made available. A high level of efficiency of the 3D search has been achieved by introducing novel tools to formulate advanced searching patterns and to screen highly populated tertiary structure elements. RNA FRABASE 2.0 also stores data and conformational parameters in order to provide "on the spot" structural filters to explore the three-dimensional RNA structures. An instant visualization of the 3D RNA

  15. Dimensionality Reduction Methods: Comparative Analysis of methods PCA, PPCA and KPCA

    Directory of Open Access Journals (Sweden)

    Jorge Arroyo-Hernández

    2016-01-01

    Full Text Available The dimensionality reduction methods are algorithms mapping the set of data in subspaces derived from the original space, of fewer dimensions, that allow a description of the data at a lower cost. Due to their importance, they are widely used in processes associated with learning machine. This article presents a comparative analysis of PCA, PPCA and KPCA dimensionality reduction methods. A reconstruction experiment of worm-shape data was performed through structures of landmarks located in the body contour, with methods having different number of main components. The results showed that all methods can be seen as alternative processes. Nevertheless, thanks to the potential for analysis in the features space and the method for calculation of its preimage presented, KPCA offers a better method for recognition process and pattern extraction

  16. Synthesis of the proteinase inhibitor LEKTI domain 6 by the fragment condensation method and regioselective disulfide bond formation.

    Science.gov (United States)

    Vasileiou, Zoe; Barlos, Kostas K; Gatos, Dimitrios; Adermann, Knut; Deraison, Celine; Barlos, Kleomenis

    2010-01-01

    Proteinase inhibitors are of high pharmaceutical interest and are drug candidates for a variety of indications. Specific kallikrein inhibitors are important for their antitumor activity and their potential application to the treatment of skin diseases. In this study we describe the synthesis of domain 6 of the kallikrein inhibitor Lympho-Epithilial Kazal-Type Inhibitor (LEKTI) by the fragment condensation method and site-directed cystine bridge formation. To obtain the linear LEKTI precursor, the condensation was best performed in solution, coupling the protected fragment 1-22 to 23-68. This method yielded LEKTI domain 6 of high purity and equipotent to the recombinantly produced peptide. (c) 2010 Wiley Periodicals, Inc.

  17. Distinguishing Aspartic and Isoaspartic Acids in Peptides by Several Mass Spectrometric Fragmentation Methods

    Science.gov (United States)

    DeGraan-Weber, Nick; Zhang, Jun; Reilly, James P.

    2016-12-01

    Six ion fragmentation techniques that can distinguish aspartic acid from its isomer, isoaspartic acid, were compared. MALDI post-source decay (PSD), MALDI 157 nm photodissociation, tris(2,4,6-trimethoxyphenyl)phosphonium bromide (TMPP) charge tagging in PSD and photodissociation, ESI collision-induced dissociation (CID), electron transfer dissociation (ETD), and free-radical initiated peptide sequencing (FRIPS) with CID were applied to peptides containing either aspartic or isoaspartic acid. Diagnostic ions, such as the y-46 and b+H2O, are present in PSD, photodissociation, and charge tagging. c•+57 and z-57 ions are observed in ETD and FRIPS experiments. For some molecules, aspartic and isoaspartic acid yield ion fragments with significantly different intensities. ETD and charge tagging appear to be most effective at distinguishing these residues.

  18. One-dimensional transient radiative transfer by lattice Boltzmann method.

    Science.gov (United States)

    Zhang, Yong; Yi, Hongliang; Tan, Heping

    2013-10-21

    The lattice Boltzmann method (LBM) is extended to solve transient radiative transfer in one-dimensional slab containing scattering media subjected to a collimated short laser irradiation. By using a fully implicit backward differencing scheme to discretize the transient term in the radiative transfer equation, a new type of lattice structure is devised. The accuracy and computational efficiency of this algorithm are examined firstly. Afterwards, effects of the medium properties such as the extinction coefficient, the scattering albedo and the anisotropy factor, and the shapes of laser pulse on time-resolved signals of transmittance and reflectance are investigated. Results of the present method are found to compare very well with the data from the literature. For an oblique incidence, the LBM results in this paper are compared with those by Monte Carlo method generated by ourselves. In addition, transient radiative transfer in a two-Layer inhomogeneous media subjected to a short square pulse irradiation is investigated. At last, the LBM is further extended to study the transient radiative transfer in homogeneous medium with a refractive index discontinuity irradiated by the short pulse laser. Several trends on the time-resolved signals different from those for refractive index of 1 (i.e. refractive-index-matched boundary) are observed and analysed.

  19. A method for measurements of neutral fragments kinetic energies released to a specific dissociation threshold: optical translational spectroscopy

    International Nuclear Information System (INIS)

    Roney, A.; Frigon, C.; Larzilliere, M.

    1999-01-01

    The optical translational spectroscopy technique, based on the principles of fast ion beam laser spectroscopy (FIBLAS) and translational spectroscopy, allows the kinetic energies study of neutral fragments released through free dissociation of a neutral molecule. This method presents interesting features such as near-threshold energy measurements and selection of a specific dissociation limit. The fragments resulting from free dissociation (not induced) of neutral molecules, produced by charge exchange processes with a fast ion beam, are probed by laser radiation. Monitoring of the laser-induced fluorescence allows high-resolution spectra due to the kinematic compression of the velocity spread. Measurements of kinetic energies released to the second limit of dissociation H(1s) + H(2l) of H 2 are put forth and compared with those obtained by means of off-axis translational spectroscopy

  20. Matrix method for two-dimensional waveguide mode solution

    Science.gov (United States)

    Sun, Baoguang; Cai, Congzhong; Venkatesh, Balajee Seshasayee

    2018-05-01

    In this paper, we show that the transfer matrix theory of multilayer optics can be used to solve the modes of any two-dimensional (2D) waveguide for their effective indices and field distributions. A 2D waveguide, even composed of numerous layers, is essentially a multilayer stack and the transmission through the stack can be analysed using the transfer matrix theory. The result is a transfer matrix with four complex value elements, namely A, B, C and D. The effective index of a guided mode satisfies two conditions: (1) evanescent waves exist simultaneously in the first (cladding) layer and last (substrate) layer, and (2) the complex element D vanishes. For a given mode, the field distribution in the waveguide is the result of a 'folded' plane wave. In each layer, there is only propagation and absorption; at each boundary, only reflection and refraction occur, which can be calculated according to the Fresnel equations. As examples, we show that this method can be used to solve modes supported by the multilayer step-index dielectric waveguide, slot waveguide, gradient-index waveguide and various plasmonic waveguides. The results indicate the transfer matrix method is effective for 2D waveguide mode solution in general.

  1. PWR core safety analysis with 3-dimensional methods

    International Nuclear Information System (INIS)

    Gensler, A.; Kühnel, K.; Kuch, S.

    2015-01-01

    Highlights: • An overview of AREVA’s safety analysis codes their coupling is provided. • The validation base and licensing applications of these codes are summarized. • Coupled codes and methods provide improved margins and non-conservative results. • Examples for REA and inadvertent opening of the pressurizer safety valve are given. - Abstract: The main focus of safety analysis is to demonstrate the required safety level of the reactor core. Because of the demanding requirements, the quality of the safety analysis strongly affects the confidence in the operational safety of a reactor. To ensure the highest quality, it is essential that the methodology consists of appropriate analysis tools, an extensive validation base, and last but not least highly educated engineers applying the methodology. The sophisticated 3-dimensional core models applied by AREVA ensure that all physical effects relevant for safety are treated and the results are reliable and conservative. Presently AREVA employs SCIENCE, CASMO/NEMO and CASCADE-3D for pressurized water reactors. These codes are currently being consolidated into the next generation 3D code system ARCADIA®. AREVA continuously extends the validation base, including measurement campaigns in test facilities and comparisons of the predictions of steady state and transient measured data gathered from plants during many years of operation. Thus, the core models provide reliable and comprehensive results for a wide range of applications. For the application of these powerful tools, AREVA is taking benefit of its interdisciplinary know-how and international teamwork. Experienced engineers of different technical backgrounds are working together to ensure an appropriate interpretation of the calculation results, uncertainty analysis, along with continuously maintaining and enhancing the quality of the analysis methodologies. In this paper, an overview of AREVA’s broad application experience as well as the broad validation

  2. A Fragment-Based Method of Creating Small-Molecule Libraries to Target the Aggregation of Intrinsically Disordered Proteins.

    Science.gov (United States)

    Joshi, Priyanka; Chia, Sean; Habchi, Johnny; Knowles, Tuomas P J; Dobson, Christopher M; Vendruscolo, Michele

    2016-03-14

    The aggregation process of intrinsically disordered proteins (IDPs) has been associated with a wide range of neurodegenerative disorders, including Alzheimer's and Parkinson's diseases. Currently, however, no drug in clinical use targets IDP aggregation. To facilitate drug discovery programs in this important and challenging area, we describe a fragment-based approach of generating small-molecule libraries that target specific IDPs. The method is based on the use of molecular fragments extracted from compounds reported in the literature to inhibit of the aggregation of IDPs. These fragments are used to screen existing large generic libraries of small molecules to form smaller libraries specific for given IDPs. We illustrate this approach by describing three distinct small-molecule libraries to target, Aβ, tau, and α-synuclein, which are three IDPs implicated in Alzheimer's and Parkinson's diseases. The strategy described here offers novel opportunities for the identification of effective molecular scaffolds for drug discovery for neurodegenerative disorders and to provide insights into the mechanism of small-molecule binding to IDPs.

  3. Restriction site extension PCR: a novel method for high-throughput characterization of tagged DNA fragments and genome walking.

    Directory of Open Access Journals (Sweden)

    Jiabing Ji

    Full Text Available BACKGROUND: Insertion mutant isolation and characterization are extremely valuable for linking genes to physiological function. Once an insertion mutant phenotype is identified, the challenge is to isolate the responsible gene. Multiple strategies have been employed to isolate unknown genomic DNA that flanks mutagenic insertions, however, all these methods suffer from limitations due to inefficient ligation steps, inclusion of restriction sites within the target DNA, and non-specific product generation. These limitations become close to insurmountable when the goal is to identify insertion sites in a high throughput manner. METHODOLOGY/PRINCIPAL FINDINGS: We designed a novel strategy called Restriction Site Extension PCR (RSE-PCR to efficiently conduct large-scale isolation of unknown genomic DNA fragments linked to DNA insertions. The strategy is a modified adaptor-mediated PCR without ligation. An adapter, with complementarity to the 3' overhang of the endonuclease (KpnI, NsiI, PstI, or SacI restricted DNA fragments, extends the 3' end of the DNA fragments in the first cycle of the primary RSE-PCR. During subsequent PCR cycles and a second semi-nested PCR (secondary RSE-PCR, touchdown and two-step PCR are combined to increase the amplification specificity of target fragments. The efficiency and specificity was demonstrated in our characterization of 37 tex mutants of Arabidopsis. All the steps of RSE-PCR can be executed in a 96 well PCR plate. Finally, RSE-PCR serves as a successful alternative to Genome Walker as demonstrated by gene isolation from maize, a plant with a more complex genome than Arabidopsis. CONCLUSIONS/SIGNIFICANCE: RSE-PCR has high potential application in identifying tagged (T-DNA or transposon sequence or walking from known DNA toward unknown regions in large-genome plants, with likely application in other organisms as well.

  4. Transplantation of storm-generated coral fragments to enhance Caribbean coral reefs: A successful method but not a solution

    Directory of Open Access Journals (Sweden)

    Virginia H. Garrison

    2012-03-01

    Full Text Available In response to dramatic losses of reef-building corals and ongoing lack of recovery, a small-scale coral transplant project was initiated in the Caribbean (U.S. Virgin Islands in 1999 and was followed for 12 years. The primary objectives were to (1 identify a source of coral colonies for transplantation that would not result in damage to reefs, (2 test the feasibility of transplanting storm-generated coral fragments, and (3 develop a simple, inexpensive method for transplanting fragments that could be conducted by the local community. The ultimate goal was to enhance abundance of threatened reef-building species on local reefs. Storm-produced coral fragments of two threatened reef-building species [Acropora palmata and A. cervicornis (Acroporidae] and another fast-growing species [Porites porites (Poritidae] were collected from environments hostile to coral fragment survival and transplanted to degraded reefs. Inert nylon cable ties were used to attach transplanted coral fragments to dead coral substrate. Survival of 75 reference colonies and 60 transplants was assessed over 12 years. Only 9% of colonies were alive after 12 years: no A. cervicornis; 3% of A. palmata transplants and 18% of reference colonies; and 13% of P. porites transplants and 7% of reference colonies. Mortality rates for all species were high and were similar for transplant and reference colonies. Physical dislodgement resulted in the loss of 56% of colonies, whereas 35% died in place. Only A. palmata showed a difference between transplant and reference colony survival and that was in the first year only. Location was a factor in survival only for A. palmata reference colonies and after year 10. Even though the tested methods and concepts were proven effective in the field over the 12-year study, they do not present a solution. No coral conservation strategy will be effective until underlying intrinsic and/or extrinsic factors driving high mortality rates are understood and

  5. Transplantation of storm-generated coral fragments to enhance Caribbean coral reefs: A successful method but not a solution

    Science.gov (United States)

    Garrison, Virginia H.; Ward, Greg A.

    2012-01-01

    In response to dramatic losses of reef-building corals and ongoing lack of recovery, a small-scale coral transplant project was initiated in the Caribbean (U.S. Virgin Islands) in 1999 and was followed for 12 years. The primary objectives were to (1) identify a source of coral colonies for transplantation that would not result in damage to reefs, (2) test the feasibility of transplanting storm-generated coral fragments, and (3) develop a simple, inexpensive method for transplanting fragments that could be conducted by the local community.  The ultimate goal was to enhance abundance of threatened reef-building species on local reefs.  Storm-produced coral fragments of two threatened reef-building species [Acropora palmata and A. cervicornis (Acroporidae)] and another fast-growing species [Porites porites (Poritidae)] were collected from environments hostile to coral fragment survival and transplanted to degraded reefs.  Inert nylon cable ties were used to attach transplanted coral fragments to dead coral substrate.  Survival of 75 reference colonies and 60 transplants was assessed over 12 years. Only 9% of colonies were alive after 12 years: no A. cervicornis; 3% of A. palmata transplants and 18% of reference colonies; and 13% of P. porites transplants and 7% of reference colonies. Mortality rates for all species were high and were similar for transplant and reference colonies. Physical dislodgement resulted in the loss of 56% of colonies, whereas 35% died in place.  Only A. palmata showed a difference between transplant and reference colony survival and that was in the first year only.  Location was a factor in survival only for A. palmata reference colonies and after year 10.  Even though the tested methods and concepts were proven effective in the field over the 12-year study, they do not present a solution. No coral conservation strategy will be effective until underlying intrinsic and/or extrinsic factors driving high mortality rates are

  6. Three-dimensional discrete element method simulation of core disking

    Science.gov (United States)

    Wu, Shunchuan; Wu, Haoyan; Kemeny, John

    2018-04-01

    The phenomenon of core disking is commonly seen in deep drilling of highly stressed regions in the Earth's crust. Given its close relationship with the in situ stress state, the presence and features of core disking can be used to interpret the stresses when traditional in situ stress measuring techniques are not available. The core disking process was simulated in this paper using the three-dimensional discrete element method software PFC3D (particle flow code). In particular, PFC3D is used to examine the evolution of fracture initiation, propagation and coalescence associated with core disking under various stress states. In this paper, four unresolved problems concerning core disking are investigated with a series of numerical simulations. These simulations also provide some verification of existing results by other researchers: (1) Core disking occurs when the maximum principal stress is about 6.5 times the tensile strength. (2) For most stress situations, core disking occurs from the outer surface, except for the thrust faulting stress regime, where the fractures were found to initiate from the inner part. (3) The anisotropy of the two horizontal principal stresses has an effect on the core disking morphology. (4) The thickness of core disk has a positive relationship with radial stress and a negative relationship with axial stresses.

  7. Theories to support method development in comprehensive two-dimensional liquid chromatography - A review

    NARCIS (Netherlands)

    Bedani, F.; Schoenmakers, P.J.; Janssen, H.-G.

    2012-01-01

    On-line comprehensive two-dimensional liquid chromatography techniques promise to resolve samples that current one-dimensional liquid chromatography methods cannot adequately deal with. To make full use of the potential of two-dimensional liquid chromatography, optimization is required. Optimization

  8. Method and system for manipulating a digital representation of a three-dimensional object

    DEFF Research Database (Denmark)

    2010-01-01

    A method of manipulating a three-dimensional virtual building block model by means of two-dimensional cursor movements, the virtual building block model including a plurality of virtual building blocks each including a number of connection elements for connecting the virtual building block...... with another virtual building block according to a set of connection rules, the method comprising positioning by means of cursor movements in a computer display area representing a two-dimensional projection of said model, a two-dimensional projection of a first virtual building block to be connected...... to the structure, resulting in a two-dimensional position; determining, from the two-dimensional position, a number of three-dimensional candidate positions of the first virtual building block in the three-dimensional coordinate system; selecting one of said candidate positions based on the connection rules...

  9. Multiple and sequential data acquisition method: an improved method for fragmentation and detection of cross-linked peptides on a hybrid linear trap quadrupole Orbitrap Velos mass spectrometer.

    Science.gov (United States)

    Rudashevskaya, Elena L; Breitwieser, Florian P; Huber, Marie L; Colinge, Jacques; Müller, André C; Bennett, Keiryn L

    2013-02-05

    The identification and validation of cross-linked peptides by mass spectrometry remains a daunting challenge for protein-protein cross-linking approaches when investigating protein interactions. This includes the fragmentation of cross-linked peptides in the mass spectrometer per se and following database searching, the matching of the molecular masses of the fragment ions to the correct cross-linked peptides. The hybrid linear trap quadrupole (LTQ) Orbitrap Velos combines the speed of the tandem mass spectrometry (MS/MS) duty circle with high mass accuracy, and these features were utilized in the current study to substantially improve the confidence in the identification of cross-linked peptides. An MS/MS method termed multiple and sequential data acquisition method (MSDAM) was developed. Preliminary optimization of the MS/MS settings was performed with a synthetic peptide (TP1) cross-linked with bis[sulfosuccinimidyl] suberate (BS(3)). On the basis of these results, MSDAM was created and assessed on the BS(3)-cross-linked bovine serum albumin (BSA) homodimer. MSDAM applies a series of multiple sequential fragmentation events with a range of different normalized collision energies (NCE) to the same precursor ion. The combination of a series of NCE enabled a considerable improvement in the quality of the fragmentation spectra for cross-linked peptides, and ultimately aided in the identification of the sequences of the cross-linked peptides. Concurrently, MSDAM provides confirmatory evidence from the formation of reporter ions fragments, which reduces the false positive rate of incorrectly assigned cross-linked peptides.

  10. Quantum molecular dynamics: Numerical methods and physical study of the structure, thermodynamics, stability and fragmentation of sodium metallic clusters

    International Nuclear Information System (INIS)

    Blaise, Philippe

    1998-01-01

    The aim of this thesis is to study metallic sodium clusters by numerical simulation. We have developed two ab initio molecular dynamics programs within the formalism of density functional theory. The first is based on the semi-classical extended Thomas-Fermi approach. We use a real-space grid and a Car-Parrinello-like scheme. The computational cost is O(N), and we have built a pseudopotential that speeds up the calculations. By neglecting quantum shell effects, we are able to study a very large set of clusters. We show that sodium cluster energies fit well a liquid drop formula, by adjusting a few parameters. We have investigated breathing modes, surface oscillations and the net charge density. We have shown that the surface energy varies strongly with temperature, and that clusters have a lower melting point than bulk material. We have calculated fission barriers by a constraint method. The second program is based on the quantum Kohn-Sham approach. We use a real-space grid, and combine a generalized Broyden scheme for assuring self-consistency with an iterative Davidson-Lanczos algorithm for solving the Eigen-problem. The cost of the method is much higher. First of all, we have calculated some stable structures for small clusters and their energetics. We obtained very good agreement with previous works. Then, we have investigated highly charged cluster dynamics. We have identified a chaotic fission process. For high fissility systems, we observe a multi-fragmentation dynamics and we find preferential emission of monomers on a characteristic time scale less than a pico-second. This has been simulated for the first time, with the help of our adaptive grid method which follows each fragment as they move apart during the fragmentation. (author)

  11. Jet fragmentation

    International Nuclear Information System (INIS)

    Saxon, D.H.

    1985-10-01

    The paper reviews studies on jet fragmentation. The subject is discussed under the topic headings: fragmentation models, charged particle multiplicity, bose-einstein correlations, identified hadrons in jets, heavy quark fragmentation, baryon production, gluon and quark jets compared, the string effect, and two successful models. (U.K.)

  12. The Use of Statistical Methods in Dimensional Process Control

    National Research Council Canada - National Science Library

    Krajcsik, Stephen

    1985-01-01

    ... erection. To achieve this high degree of unit accuracy, we have begun a pilot dimensional control program that has set the guidelines for systematically monitoring each stage of the production process prior to erection...

  13. Generalized similarity method in unsteady two-dimensional MHD ...

    African Journals Online (AJOL)

    user

    International Journal of Engineering, Science and Technology. Vol. 1, No. 1, 2009 ... temperature two-dimensional MHD laminar boundary layer of incompressible fluid. ...... Φ η is Blasius solution for stationary boundary layer on the plate,. ( ). 0.

  14. The Topology Optimization of Three-dimensional Cooling Fins by the Internal Element Connectivity Parameterization Method

    International Nuclear Information System (INIS)

    Yoo, Sung Min; Kim, Yoon Young

    2007-01-01

    This work is concerned with the topology optimization of three-dimensional cooling fins or heat sinks. Motivated by earlier success of the Internal Element Connectivity Method (I-ECP) method in two dimensional problems, the extension of I-ECP to three-dimensional problems is carried out. The main efforts were made to maintain the numerical trouble-free characteristics of I-ECP for full three-dimensional problems; a serious numerical problem appearing in thermal topology optimization is erroneous temperature undershooting. The effectiveness of the present implementation was checked through the design optimization of three-dimensional fins

  15. Method for coupling two-dimensional to three-dimensional discrete ordinates calculations

    International Nuclear Information System (INIS)

    Thompson, J.L.; Emmett, M.B.; Rhoades, W.A.; Dodds, H.L. Jr.

    1985-01-01

    A three-dimensional (3-D) discrete ordinates transport code, TORT, has been developed at the Oak Ridge National Laboratory for radiation penetration studies. It is not feasible to solve some 3-D penetration problems with TORT, such as a building located a large distance from a point source, because (a) the discretized 3-D problem is simply too big to fit on the computer or (b) the computing time (and corresponding cost) is prohibitive. Fortunately, such problems can be solved with a hybrid approach by coupling a two-dimensional (2-D) description of the point source, which is assumed to be azimuthally symmetric, to a 3-D description of the building, the region of interest. The purpose of this paper is to describe this hybrid methodology along with its implementation and evaluation in the DOTTOR (Discrete Ordinates to Three-dimensional Oak Ridge Transport) code

  16. Transport Methods Conquering the Seven-Dimensional Mountain

    International Nuclear Information System (INIS)

    Graziani, F; Olson, G

    2003-01-01

    In a wide variety of applications, a significant fraction of the momentum and energy present in a physical problem is carried by the transport of particles. Depending on the circumstances, the types of particles might involve some or all of photons, neutrinos, charged particles, or neutrons. In application areas that use transport, the computational time is usually dominated by the transport calculation. Therefore, there is a potential for great synergy; progress in transport algorithms could help quicken the time to solution for many applications. The complexity, and hence expense, involved in solving the transport problem can be understood by realizing that the general solution to the Boltzmann transport equation is seven dimensional: 3 spatial coordinates, 2 angles, 1 time, and 1 for speed or energy. Low-order approximations to the transport equation are frequently used due in part to physical justification but many times simply because a solution to the full transport problem is too computationally expensive. An example is the diffusion equation, which effectively drops the two angles in phase space by assuming that a linear representation in angle is adequate. Another approximation is the grey approximation, which drops the energy variable by averaging over it. If the grey approximation is applied to the diffusion equation, the expense of solving what amounts to the simplest possible description of transport is roughly equal to the cost of implicit computational fluid dynamics. It is clear therefore, that for those application areas needing some form of transport, fast, accurate and robust transport algorithms can lead to an increase in overall code performance and a decrease in time to solution. The seven-dimensional nature of transport means that factors of 100 or 1000 improvement in computer speed or memory are quickly absorbed in slightly higher resolution in space, angle, and energy. Therefore, the biggest advances in the last few years and in the next

  17. A SPH Method-based Numerical Simulation of the Space Debris Fragments Interaction with Spacecraft Structure Components

    Directory of Open Access Journals (Sweden)

    V. V. Zelentsov

    2017-01-01

    Full Text Available Significant amount of space debris available in the near-Earth space is a reason to protect space vehicles from the fragments of space debris. Existing empirical calculation methods do not allow us to estimate quality of developed protection. Experimental verification of protection requires complex and expensive installations that do not allow having a desirable impact velocity. The article proposes to use the ANSYS AUTODYN software environment – a software complex of the nonlinear dynamic analysis to evaluate quality of developed protection. The ANSYS AUTODYN environment is based on the integration methods of a system of equations of continuum mechanics. The SPH (smoothed particle method method is used as a solver. The SPH method is based on the area of sampling by a finite set of the Lagrangian particles that can be represented as the elementary volumes of the medium. In modeling the targets were under attack of 2 and 3 mm spheres and cylinders with 2 mm in bottom diameter and with generator of 2 and 3 mm. The apheres and cylinders are solid and hollow, with a wall thickness of 0.5 mm. The impact velocity of the particles with a target was assumed to be 7.5 km / s. The number of integration cycles in all cases of calculation was assumed to be 1000. The rate of flying debris fragments of the target material as a function of the h / d ratio (h - the thickness of the target, / d - the diameter of a sphere or a cylinder end is obtained. In simulation the sample picture obtained coincides both with results of experimental study carried out at the Tomsk State Technical University and  with results described in the literature.

  18. Nonlinear response time-dependent density functional theory combined with the effective fragment potential method

    Energy Technology Data Exchange (ETDEWEB)

    Zahariev, Federico; Gordon, Mark S., E-mail: mark@si.msg.chem.iastate.edu [Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States)

    2014-05-14

    This work presents an extension of the linear response TDDFT/EFP method to the nonlinear-response regime together with the implementation of nonlinear-response TDDFT/EFP in the quantum-chemistry computer package GAMESS. Included in the new method is the ability to calculate the two-photon absorption cross section and to incorporate solvent effects via the EFP method. The nonlinear-response TDDFT/EFP method is able to make correct qualitative predictions for both gas phase values and aqueous solvent shifts of several important nonlinear properties.

  19. Mechanical fragmentation of nuclear reactor fuel assemblies by the double cutting method

    International Nuclear Information System (INIS)

    Voitsekhovskii, B.V.; Istomin, V.L.; Mitrofanov, V.V.

    1995-01-01

    A method is described for cutting a spent fuel assembly with straight shears into pieces of a prescribed size. The method does not require separation of the casing and the lattices. The double cutting method is briefly described, and experiments designed for cutting BN-350 and VVER-440 fuel assemblies are outlined. The testing showed that the cutting method was suitable for mechanical polarization of fuel assemblies. The investigations led to the development of turnkey industrial equipment for cutting spent fuel assemblies of different geometries with a maximum size up to 170 mm. 6 refs., 8 figs., 1 tab

  20. Adaptive frozen orbital treatment for the fragment molecular orbital method combined with density-functional tight-binding

    Science.gov (United States)

    Nishimoto, Yoshio; Fedorov, Dmitri G.

    2018-02-01

    The exactly analytic gradient is derived and implemented for the fragment molecular orbital (FMO) method combined with density-functional tight-binding (DFTB) using adaptive frozen orbitals. The response contributions which arise from freezing detached molecular orbitals on the border between fragments are computed by solving Z-vector equations. The accuracy of the energy, its gradient, and optimized structures is verified on a set of representative inorganic materials and polypeptides. FMO-DFTB is applied to optimize the structure of a silicon nano-wire, and the results are compared to those of density functional theory and experiment. FMO accelerates the DFTB calculation of a boron nitride nano-ring with 7872 atoms by a factor of 406. Molecular dynamics simulations using FMO-DFTB applied to a 10.7 μm chain of boron nitride nano-rings, consisting of about 1.2 × 106 atoms, reveal the rippling and twisting of nano-rings at room temperature.

  1. An Efficient Method to Evaluate Intermolecular Interaction Energies in Large Systems Using Overlapping Multicenter ONIOM and the Fragment Molecular Orbital Method

    Science.gov (United States)

    Asada, Naoya; Fedorov, Dmitri G.; Kitaura, Kazuo; Nakanishi, Isao; Merz, Kenneth M.

    2012-01-01

    We propose an approach based on the overlapping multicenter ONIOM to evaluate intermolecular interaction energies in large systems and demonstrate its accuracy on several representative systems in the complete basis set limit at the MP2 and CCSD(T) level of theory. In the application to the intermolecular interaction energy between insulin dimer and 4′-hydroxyacetanilide at the MP2/CBS level, we use the fragment molecular orbital method for the calculation of the entire complex assigned to the lowest layer in three-layer ONIOM. The developed method is shown to be efficient and accurate in the evaluation of the protein-ligand interaction energies. PMID:23050059

  2. Parametric study on single shot peening by dimensional analysis method incorporated with finite element method

    Science.gov (United States)

    Wu, Xian-Qian; Wang, Xi; Wei, Yan-Peng; Song, Hong-Wei; Huang, Chen-Guang

    2012-06-01

    Shot peening is a widely used surface treatment method by generating compressive residual stress near the surface of metallic materials to increase fatigue life and resistance to corrosion fatigue, cracking, etc. Compressive residual stress and dent profile are important factors to evaluate the effectiveness of shot peening process. In this paper, the influence of dimensionless parameters on maximum compressive residual stress and maximum depth of the dent were investigated. Firstly, dimensionless relations of processing parameters that affect the maximum compressive residual stress and the maximum depth of the dent were deduced by dimensional analysis method. Secondly, the influence of each dimensionless parameter on dimensionless variables was investigated by the finite element method. Furthermore, related empirical formulas were given for each dimensionless parameter based on the simulation results. Finally, comparison was made and good agreement was found between the simulation results and the empirical formula, which shows that a useful approach is provided in this paper for analyzing the influence of each individual parameter.

  3. New exact solutions of the (2 + 1)-dimensional breaking soliton system via an extended mapping method

    International Nuclear Information System (INIS)

    Ma Songhua; Fang Jianping; Zheng Chunlong

    2009-01-01

    By means of an extended mapping method and a variable separation method, a series of solitary wave solutions, periodic wave solutions and variable separation solutions to the (2 + 1)-dimensional breaking soliton system is derived.

  4. Virtual fragment preparation for computational fragment-based drug design.

    Science.gov (United States)

    Ludington, Jennifer L

    2015-01-01

    Fragment-based drug design (FBDD) has become an important component of the drug discovery process. The use of fragments can accelerate both the search for a hit molecule and the development of that hit into a lead molecule for clinical testing. In addition to experimental methodologies for FBDD such as NMR and X-ray Crystallography screens, computational techniques are playing an increasingly important role. The success of the computational simulations is due in large part to how the database of virtual fragments is prepared. In order to prepare the fragments appropriately it is necessary to understand how FBDD differs from other approaches and the issues inherent in building up molecules from smaller fragment pieces. The ultimate goal of these calculations is to link two or more simulated fragments into a molecule that has an experimental binding affinity consistent with the additive predicted binding affinities of the virtual fragments. Computationally predicting binding affinities is a complex process, with many opportunities for introducing error. Therefore, care should be taken with the fragment preparation procedure to avoid introducing additional inaccuracies.This chapter is focused on the preparation process used to create a virtual fragment database. Several key issues of fragment preparation which affect the accuracy of binding affinity predictions are discussed. The first issue is the selection of the two-dimensional atomic structure of the virtual fragment. Although the particular usage of the fragment can affect this choice (i.e., whether the fragment will be used for calibration, binding site characterization, hit identification, or lead optimization), general factors such as synthetic accessibility, size, and flexibility are major considerations in selecting the 2D structure. Other aspects of preparing the virtual fragments for simulation are the generation of three-dimensional conformations and the assignment of the associated atomic point charges.

  5. Application of Exp-function method for (2 + 1)-dimensional nonlinear evolution equations

    International Nuclear Information System (INIS)

    Bekir, Ahmet; Boz, Ahmet

    2009-01-01

    In this paper, the Exp-function method is used to construct solitary and soliton solutions of (2 + 1)-dimensional nonlinear evolution equations. (2 + 1)-dimensional breaking soliton (Calogero) equation, modified Zakharov-Kuznetsov and Konopelchenko-Dubrovsky equations are chosen to illustrate the effectiveness of the method. The method is straightforward and concise, and its applications are promising. The Exp-function method presents a wider applicability for handling nonlinear wave equations.

  6. A Comparison of Machine Learning Methods in a High-Dimensional Classification Problem

    OpenAIRE

    Zekić-Sušac, Marijana; Pfeifer, Sanja; Šarlija, Nataša

    2014-01-01

    Background: Large-dimensional data modelling often relies on variable reduction methods in the pre-processing and in the post-processing stage. However, such a reduction usually provides less information and yields a lower accuracy of the model. Objectives: The aim of this paper is to assess the high-dimensional classification problem of recognizing entrepreneurial intentions of students by machine learning methods. Methods/Approach: Four methods were tested: artificial neural networks, CART ...

  7. Solution of the two-dimensional space-time reactor kinetics equation by a locally one-dimensional method

    International Nuclear Information System (INIS)

    Chen, G.S.; Christenson, J.M.

    1985-01-01

    In this paper, the authors present some initial results from an investigation of the application of a locally one-dimensional (LOD) finite difference method to the solution of the two-dimensional, two-group reactor kinetics equations. Although the LOD method is relatively well known, it apparently has not been previously applied to the space-time kinetics equations. In this investigation, the LOD results were benchmarked against similar computational results (using the same computing environment, the same programming structure, and the same sample problems) obtained by the TWIGL program. For all of the problems considered, the LOD method provided accurate results in one-half to one-eight of the time required by the TWIGL program

  8. Establish an automated flow injection ESI-MS method for the screening of fragment based libraries: Application to Hsp90.

    Science.gov (United States)

    Riccardi Sirtori, Federico; Caronni, Dannica; Colombo, Maristella; Dalvit, Claudio; Paolucci, Mauro; Regazzoni, Luca; Visco, Carlo; Fogliatto, Gianpaolo

    2015-08-30

    ESI-MS is a well established technique for the study of biopolymers (nucleic acids, proteins) and their non covalent adducts, due to its capacity to detect ligand-target complexes in the gas phase and allows inference of ligand-target binding in solution. In this article we used this approach to investigate the interaction of ligands to the Heat Shock Protein 90 (Hsp90). This enzyme is a molecular chaperone involved in the folding and maturation of several proteins which has been subjected in the last years to intensive drug discovery efforts due to its key role in cancer. In particular, reference compounds, with a broad range of dissociation constants from 40pM to 100μM, were tested to assess the reliability of ESI-MS for the study of protein-ligand complexes. A good agreement was found between the values measured with a fluorescence polarization displacement assay and those determined by mass spectrometry. After this validation step we describe the setup of a medium throughput screening method, based on ESI-MS, suitable to explore interactions of therapeutic relevance biopolymers with chemical libraries. Our approach is based on an automated flow injection ESI-MS method (AFI-MS) and has been applied to screen the Nerviano Medical Sciences proprietary fragment library of about 2000 fragments against Hsp90. In order to discard false positive hits and to discriminate those of them interacting with the N-terminal ATP binding site, competition experiments were performed using a reference inhibitor. Gratifyingly, this group of hits matches with the ligands previously identified by NMR FAXS techniques and confirmed by X-ray co-crystallization experiments. These results support the use of AFI-MS for the screening of medium size libraries, including libraries of small molecules with low affinity typically used in fragment based drug discovery. AFI-MS is a valid alternative to other techniques with the additional opportunities to identify compounds interacting with

  9. Method of photo-etching and photogravure using fission fragment and/or alpha ray etch tracks from toned photographs

    International Nuclear Information System (INIS)

    Thackray, M.

    1973-01-01

    A method is described for reproducing a photographic image on a normally non-photo-receptive surface comprising the steps of: 1) toning the photograph with substances which combine with or replace the silver grains so that the photograph emits either spontaneously or indirectly fission fragments or alpha particles in amounts related to the distribution of the silver grains in the photograph; 2) placing the toned photograph contiguous with the surface on which the image is to be reproduced, for sufficient time for the emissions from the photograph to reproduce the image as a radiation-damage image on the surface, the damage areas having a close positional relationship to the silver grains in the original photograph. (author)

  10. Method of reproducing images using fission fragments and/or alpha ray etch tracks from toned photographs

    International Nuclear Information System (INIS)

    Thackray, M.

    1976-01-01

    A method is described for producing a photographic image on a normally non-photo-receptive surface comprising the steps of 1) toning the photograph with substances which combine with or replace the silver grains so that the photograph emits either spontaneously or indirectly fission fragments or alpha particles in amounts related to the distribution of the silver grains in the photograph, 2) placing the toned photograph contiguous with the surface on which the image is to be reproduced, for sufficient time for the emissions from the photograph to reproduce the image as a radiation-damage image on the surface, the damage areas having a close positional relationship to the silver grains in the original photograph. (author)

  11. The development of a ballistic method for simulating fragments from buried explosive devices

    NARCIS (Netherlands)

    Jagt-Deutekom, M.J. van der

    2016-01-01

    No standard scientific methodology currently exists to assess the performance of personal protection equipment (PPE) against secondary debris, such as soil, grit and stones, ejected when a buried improvised explosive device (IED) detonates. Different test methods are used for this evaluation. The

  12. Nuclear fragmentation

    International Nuclear Information System (INIS)

    Chung, K.C.

    1989-01-01

    An introduction to nuclear fragmentation, with emphasis in percolation ideas, is presented. The main theoretical models are discussed and as an application, the uniform expansion approximation is presented and the statistical multifragmentation model is used to calculate the fragment energy spectra. (L.C.)

  13. Dynameomics: Data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction

    Science.gov (United States)

    Rysavy, Steven J; Beck, David AC; Daggett, Valerie

    2014-01-01

    Protein function is intimately linked to protein structure and dynamics yet experimentally determined structures frequently omit regions within a protein due to indeterminate data, which is often due protein dynamics. We propose that atomistic molecular dynamics simulations provide a diverse sampling of biologically relevant structures for these missing segments (and beyond) to improve structural modeling and structure prediction. Here we make use of the Dynameomics data warehouse, which contains simulations of representatives of essentially all known protein folds. We developed novel computational methods to efficiently identify, rank and retrieve small peptide structures, or fragments, from this database. We also created a novel data model to analyze and compare large repositories of structural data, such as contained within the Protein Data Bank and the Dynameomics data warehouse. Our evaluation compares these structural repositories for improving loop predictions and analyzes the utility of our methods and models. Using a standard set of loop structures, containing 510 loops, 30 for each loop length from 4 to 20 residues, we find that the inclusion of Dynameomics structures in fragment-based methods improves the quality of the loop predictions without being dependent on sequence homology. Depending on loop length, ∼25–75% of the best predictions came from the Dynameomics set, resulting in lower main chain root-mean-square deviations for all fragment lengths using the combined fragment library. We also provide specific cases where Dynameomics fragments provide better predictions for NMR loop structures than fragments from crystal structures. Online access to these fragment libraries is available at http://www.dynameomics.org/fragments. PMID:25142412

  14. Dynameomics: data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction.

    Science.gov (United States)

    Rysavy, Steven J; Beck, David A C; Daggett, Valerie

    2014-11-01

    Protein function is intimately linked to protein structure and dynamics yet experimentally determined structures frequently omit regions within a protein due to indeterminate data, which is often due protein dynamics. We propose that atomistic molecular dynamics simulations provide a diverse sampling of biologically relevant structures for these missing segments (and beyond) to improve structural modeling and structure prediction. Here we make use of the Dynameomics data warehouse, which contains simulations of representatives of essentially all known protein folds. We developed novel computational methods to efficiently identify, rank and retrieve small peptide structures, or fragments, from this database. We also created a novel data model to analyze and compare large repositories of structural data, such as contained within the Protein Data Bank and the Dynameomics data warehouse. Our evaluation compares these structural repositories for improving loop predictions and analyzes the utility of our methods and models. Using a standard set of loop structures, containing 510 loops, 30 for each loop length from 4 to 20 residues, we find that the inclusion of Dynameomics structures in fragment-based methods improves the quality of the loop predictions without being dependent on sequence homology. Depending on loop length, ∼ 25-75% of the best predictions came from the Dynameomics set, resulting in lower main chain root-mean-square deviations for all fragment lengths using the combined fragment library. We also provide specific cases where Dynameomics fragments provide better predictions for NMR loop structures than fragments from crystal structures. Online access to these fragment libraries is available at http://www.dynameomics.org/fragments. © 2014 The Protein Society.

  15. Separation and Depleted Uranium Fragments from Gun Test Catchment. Volume 2. Catchment System and Separations Methods

    Science.gov (United States)

    1993-12-30

    Reference 3) was to demonstrate methods of microfiltration of uranium- contaminated water generated during munitions tests at Eglin AFB and to determine...compliance with the 10 CFR 20 standard. TTI Engineering of Norwood, Maine, fabricated and tested a pilot-scale microfiltration system to compare the...by drawing an analogy with the time constant of a spring. Writing the restoring force of a spring as F=-kAx L (7) where k - spring constant, N Ax

  16. Methods for preparation of three-dimensional bodies

    Science.gov (United States)

    Mulligan, Anthony C.; Rigali, Mark J.; Sutaria, Manish P.; Artz, Gregory J.; Gafner, Felix H.; Vaidyanathan, K. Ranji

    2004-09-28

    Processes for mechanically fabricating two and three-dimensional fibrous monolith composites include preparing a fibrous monolith filament from a core composition of a first powder material and a boundary material of a second powder material. The filament includes a first portion of the core composition surrounded by a second portion of the boundary composition. One or more filaments are extruded through a mechanically-controlled deposition nozzle onto a working surface to create a fibrous monolith composite object. The objects may be formed directly from computer models and have complex geometries.

  17. One-dimensional calculation of flow branching using the method of characteristics

    International Nuclear Information System (INIS)

    Meier, R.W.; Gido, R.G.

    1978-05-01

    In one-dimensional flow systems, the flow often branches, such as at a tee or manifold. The study develops a formulation for calculating the flow through branch points with one-dimensional method of characteristics equations. The resultant equations were verified by comparison with experimental measurements

  18. One-dimensional treatment of polyatomic crystals by the Laplace transform method

    International Nuclear Information System (INIS)

    Rosato, A.; Santana, P.H.A.

    1976-01-01

    The one dimensional periodic potential problem is solved using the Laplace transform method and a condensed expression for the relation E x k and effective mass for one electron in a polyatomic structure is determined. Applications related to the effect of the asymmetry of the potential upon the one dimensional band structure are discussed [pt

  19. Moderator feedback effects in two-dimensional nodal methods for pressurized water reactor analysis

    International Nuclear Information System (INIS)

    Downar, T.J.

    1987-01-01

    A method was developed for incorporating moderator feedback effects in two-dimensional nodal codes used for pressurized water reactor (PWR) neutronic analysis. Equations for the assembly average quality and density are developed in terms of the assembly power calculated in two dimensions. The method is validated with a Westinghouse PWR using the Electric Power Research Institute code SIMULATE-E. Results show a several percent improvement is achieved in the two-dimensional power distribution prediction compared to methods without moderator feedback

  20. Improved non-dimensional dynamic influence function method based on tow-domain method for vibration analysis of membranes

    Directory of Open Access Journals (Sweden)

    SW Kang

    2015-02-01

    Full Text Available This article introduces an improved non-dimensional dynamic influence function method using a sub-domain method for efficiently extracting the eigenvalues and mode shapes of concave membranes with arbitrary shapes. The non-dimensional dynamic influence function method (non-dimensional dynamic influence function method, which was developed by the authors in 1999, gives highly accurate eigenvalues for membranes, plates, and acoustic cavities, compared with the finite element method. However, it needs the inefficient procedure of calculating the singularity of a system matrix in the frequency range of interest for extracting eigenvalues and mode shapes. To overcome the inefficient procedure, this article proposes a practical approach to make the system matrix equation of the concave membrane of interest into a form of algebraic eigenvalue problem. It is shown by several case studies that the proposed method has a good convergence characteristics and yields very accurate eigenvalues, compared with an exact method and finite element method (ANSYS.

  1. Reduced basis ANOVA methods for partial differential equations with high-dimensional random inputs

    Energy Technology Data Exchange (ETDEWEB)

    Liao, Qifeng, E-mail: liaoqf@shanghaitech.edu.cn [School of Information Science and Technology, ShanghaiTech University, Shanghai 200031 (China); Lin, Guang, E-mail: guanglin@purdue.edu [Department of Mathematics & School of Mechanical Engineering, Purdue University, West Lafayette, IN 47907 (United States)

    2016-07-15

    In this paper we present a reduced basis ANOVA approach for partial deferential equations (PDEs) with random inputs. The ANOVA method combined with stochastic collocation methods provides model reduction in high-dimensional parameter space through decomposing high-dimensional inputs into unions of low-dimensional inputs. In this work, to further reduce the computational cost, we investigate spatial low-rank structures in the ANOVA-collocation method, and develop efficient spatial model reduction techniques using hierarchically generated reduced bases. We present a general mathematical framework of the methodology, validate its accuracy and demonstrate its efficiency with numerical experiments.

  2. One-dimensional TRFLP-SSCP is an effective DNA fingerprinting strategy for soil Archaea that is able to simultaneously differentiate broad taxonomic clades based on terminal fragment length polymorphisms and closely related sequences based on single stranded conformation polymorphisms.

    Science.gov (United States)

    Swanson, Colby A; Sliwinski, Marek K

    2013-09-01

    DNA fingerprinting methods provide a means to rapidly compare microbial assemblages from environmental samples without the need to first cultivate species in the laboratory. The profiles generated by these techniques are able to identify statistically significant temporal and spatial patterns, correlations to environmental gradients, and biological variability to estimate the number of replicates for clone libraries or next generation sequencing (NGS) surveys. Here we describe an improved DNA fingerprinting technique that combines terminal restriction fragment length polymorphisms (TRFLP) and single stranded conformation polymorphisms (SSCP) so that both can be used to profile a sample simultaneously rather than requiring two sequential steps as in traditional two-dimensional (2-D) gel electrophoresis. For the purpose of profiling Archaeal 16S rRNA genes from soil, the dynamic range of this combined 1-D TRFLP-SSCP approach was superior to TRFLP and SSCP. 1-D TRFLP-SSCP was able to distinguish broad taxonomic clades with genetic distances greater than 10%, such as Euryarchaeota and the Thaumarchaeal clades g_Ca. Nitrososphaera (formerly 1.1b) and o_NRP-J (formerly 1.1c) better than SSCP. In addition, 1-D TRFLP-SSCP was able to simultaneously distinguish closely related clades within a genus such as s_SCA1145 and s_SCA1170 better than TRFLP. We also tested the utility of 1-D TRFLP-SSCP fingerprinting of environmental assemblages by comparing this method to the generation of a 16S rRNA clone library of soil Archaea from a restored Tallgrass prairie. This study shows 1-D TRFLP-SSCP fingerprinting provides a rapid and phylogenetically informative screen of Archaeal 16S rRNA genes in soil samples. © 2013.

  3. Effective method for construction of low-dimensional models for heat transfer process

    Energy Technology Data Exchange (ETDEWEB)

    Blinov, D.G.; Prokopov, V.G.; Sherenkovskii, Y.V.; Fialko, N.M.; Yurchuk, V.L. [National Academy of Sciences of Ukraine, Kiev (Ukraine). Inst. of Engineering Thermophysics

    2004-12-01

    A low-dimensional model based on the method of proper orthogonal decomposition (POD) and the method of polyargumental systems (MPS) for thermal conductivity problems with strongly localized source of heat has been presented. The key aspect of these methods is that they enable to avoid weak points of other projection methods, which consists in a priori choice of basis functions. It enables us to use the MPS method and the POD method as convenient means to construct low-dimensional models of heat and mass transfer problems. (Author)

  4. Three-dimensional compound comparison methods and their application in drug discovery.

    Science.gov (United States)

    Shin, Woong-Hee; Zhu, Xiaolei; Bures, Mark Gregory; Kihara, Daisuke

    2015-07-16

    Virtual screening has been widely used in the drug discovery process. Ligand-based virtual screening (LBVS) methods compare a library of compounds with a known active ligand. Two notable advantages of LBVS methods are that they do not require structural information of a target receptor and that they are faster than structure-based methods. LBVS methods can be classified based on the complexity of ligand structure information utilized: one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D). Unlike 1D and 2D methods, 3D methods can have enhanced performance since they treat the conformational flexibility of compounds. In this paper, a number of 3D methods will be reviewed. In addition, four representative 3D methods were benchmarked to understand their performance in virtual screening. Specifically, we tested overall performance in key aspects including the ability to find dissimilar active compounds, and computational speed.

  5. Three-Dimensional Compound Comparison Methods and Their Application in Drug Discovery

    Directory of Open Access Journals (Sweden)

    Woong-Hee Shin

    2015-07-01

    Full Text Available Virtual screening has been widely used in the drug discovery process. Ligand-based virtual screening (LBVS methods compare a library of compounds with a known active ligand. Two notable advantages of LBVS methods are that they do not require structural information of a target receptor and that they are faster than structure-based methods. LBVS methods can be classified based on the complexity of ligand structure information utilized: one-dimensional (1D, two-dimensional (2D, and three-dimensional (3D. Unlike 1D and 2D methods, 3D methods can have enhanced performance since they treat the conformational flexibility of compounds. In this paper, a number of 3D methods will be reviewed. In addition, four representative 3D methods were benchmarked to understand their performance in virtual screening. Specifically, we tested overall performance in key aspects including the ability to find dissimilar active compounds, and computational speed.

  6. Research on a Rotating Machinery Fault Prognosis Method Using Three-Dimensional Spatial Representations

    Directory of Open Access Journals (Sweden)

    Xiaoni Dong

    2016-01-01

    Full Text Available Process models and parameters are two critical steps for fault prognosis in the operation of rotating machinery. Due to the requirement for a short and rapid response, it is important to study robust sensor data representation schemes. However, the conventional holospectrum defined by one-dimensional or two-dimensional methods does not sufficiently present this information in both the frequency and time domains. To supply a complete holospectrum model, a new three-dimensional spatial representation method is proposed. This method integrates improved three-dimensional (3D holospectra and 3D filtered orbits, leading to the integration of radial and axial vibration features in one bearing section. The results from simulation and experimental analysis on a complex compressor show that the proposed method can present the real operational status and clearly reveal early faults, thus demonstrating great potential for condition-based maintenance prediction in industrial machinery.

  7. Similarity measurement method of high-dimensional data based on normalized net lattice subspace

    Institute of Scientific and Technical Information of China (English)

    Li Wenfa; Wang Gongming; Li Ke; Huang Su

    2017-01-01

    The performance of conventional similarity measurement methods is affected seriously by the curse of dimensionality of high-dimensional data.The reason is that data difference between sparse and noisy dimensionalities occupies a large proportion of the similarity, leading to the dissimilarities between any results.A similarity measurement method of high-dimensional data based on normalized net lattice subspace is proposed.The data range of each dimension is divided into several intervals, and the components in different dimensions are mapped onto the corresponding interval.Only the component in the same or adjacent interval is used to calculate the similarity.To validate this meth-od, three data types are used, and seven common similarity measurement methods are compared. The experimental result indicates that the relative difference of the method is increasing with the di-mensionality and is approximately two or three orders of magnitude higher than the conventional method.In addition, the similarity range of this method in different dimensions is [0, 1], which is fit for similarity analysis after dimensionality reduction.

  8. A computational method for the solution of one-dimensional ...

    Indian Academy of Sciences (India)

    embedding parameter p ∈ [0, 1], which is considered as a 'small parameter'. Consid- erable research work has recently been conducted in applying this method to a class of linear and nonlinear equations. This method was further developed and improved by He, and applied to nonlinear oscillators with discontinuities [1], ...

  9. Three dimensional iterative beam propagation method for optical waveguide devices

    Science.gov (United States)

    Ma, Changbao; Van Keuren, Edward

    2006-10-01

    The finite difference beam propagation method (FD-BPM) is an effective model for simulating a wide range of optical waveguide structures. The classical FD-BPMs are based on the Crank-Nicholson scheme, and in tridiagonal form can be solved using the Thomas method. We present a different type of algorithm for 3-D structures. In this algorithm, the wave equation is formulated into a large sparse matrix equation which can be solved using iterative methods. The simulation window shifting scheme and threshold technique introduced in our earlier work are utilized to overcome the convergence problem of iterative methods for large sparse matrix equation and wide-angle simulations. This method enables us to develop higher-order 3-D wide-angle (WA-) BPMs based on Pade approximant operators and the multistep method, which are commonly used in WA-BPMs for 2-D structures. Simulations using the new methods will be compared to the analytical results to assure its effectiveness and applicability.

  10. A three-dimensional correlation method for registration of medical images in radiology

    International Nuclear Information System (INIS)

    Georgiou, Michalakis; Sfakianakis, George N.; Nagel, Joachim H.

    1998-01-01

    The availability of methods to register multi-modality images in order to 'fuse' them to correlate their information is increasingly becoming an important requirement for various diagnostic and therapeutic procedures. A variety of image registration methods have been developed but they remain limited to specific clinical applications. Assuming rigid body transformation, two images can be registered if their differences are calculated in terms of translation, rotation and scaling. This paper describes the development and testing of a new correlation based approach for three-dimensional image registration. First, the scaling factors introduced by the imaging devices are calculated and compensated for. Then, the two images become translation invariant by computing their three-dimensional Fourier magnitude spectra. Subsequently, spherical coordinate transformation is performed and then the three-dimensional rotation is computed using a novice approach referred to as p olar Shells . The method of polar shells maps the three angles of rotation into one rotation and two translations of a two-dimensional function and then proceeds to calculate them using appropriate transformations based on the Fourier invariance properties. A basic assumption in the method is that the three-dimensional rotation is constrained to one large and two relatively small angles. This assumption is generally satisfied in normal clinical settings. The new three-dimensional image registration method was tested with simulations using computer generated phantom data as well as actual clinical data. Performance analysis and accuracy evaluation of the method using computer simulations yielded errors in the sub-pixel range. (authors)

  11. Transplantation of storm-generated coral fragments to enhance Caribbean coral reefs: A successful method but not a solution

    Directory of Open Access Journals (Sweden)

    Virginia H. Garrison

    2012-03-01

    Full Text Available In response to dramatic losses of reef-building corals and ongoing lack of recovery, a small-scale coral transplant project was initiated in the Caribbean (U.S. Virgin Islands in 1999 and was followed for 12 years. The primary objectives were to (1 identify a source of coral colonies for transplantation that would not result in damage to reefs, (2 test the feasibility of transplanting storm-generated coral fragments, and (3 develop a simple, inexpensive method for transplanting fragments that could be conducted by the local community. The ultimate goal was to enhance abundance of threatened reef-building species on local reefs. Storm-produced coral fragments of two threatened reef-building species [Acropora palmata and A. cervicornis (Acroporidae] and another fast-growing species [Porites porites (Poritidae] were collected from environments hostile to coral fragment survival and transplanted to degraded reefs. Inert nylon cable ties were used to attach transplanted coral fragments to dead coral substrate. Survival of 75 reference colonies and 60 transplants was assessed over 12 years. Only 9% of colonies were alive after 12 years: no A. cervicornis; 3% of A. palmata transplants and 18% of reference colonies; and 13% of P. porites transplants and 7% of reference colonies. Mortality rates for all species were high and were similar for transplant and reference colonies. Physical dislodgement resulted in the loss of 56% of colonies, whereas 35% died in place. Only A. palmata showed a difference between transplant and reference colony survival and that was in the first year only. Location was a factor in survival only for A. palmata reference colonies and after year 10. Even though the tested methods and concepts were proven effective in the field over the 12-year study, they do not present a solution. No coral conservation strategy will be effective until underlying intrinsic and/or extrinsic factors driving high mortality rates are understood and

  12. Velocity distribution of fragments of catastrophic impacts

    Science.gov (United States)

    Takagi, Yasuhiko; Kato, Manabu; Mizutani, Hitoshi

    1992-01-01

    Three dimensional velocities of fragments produced by laboratory impact experiments were measured for basalts and pyrophyllites. The velocity distribution of fragments obtained shows that the velocity range of the major fragments is rather narrow, at most within a factor of 3 and that no clear dependence of velocity on the fragment mass is observed. The NonDimensional Impact Stress (NDIS) defined by Mizutani et al. (1990) is found to be an appropriate scaling parameter to describe the overall fragment velocity as well as the antipodal velocity.

  13. Assessing the composition of fragmented agglutinated foraminiferal assemblages in ancient sediments: comparison of counting and area-based methods in Famennian samples (Late Devonian)

    Science.gov (United States)

    Girard, Catherine; Dufour, Anne-Béatrice; Charruault, Anne-Lise; Renaud, Sabrina

    2018-01-01

    Benthic foraminifera have been used as proxies for various paleoenvironmental variables such as food availability, carbon flux from surface waters, microhabitats, and indirectly water depth. Estimating assemblage composition based on morphotypes, as opposed to genus- or species-level identification, potentially loses important ecological information but opens the way to the study of ancient time periods. However, the ability to accurately constrain benthic foraminiferal assemblages has been questioned when the most abundant foraminifera are fragile agglutinated forms, particularly prone to fragmentation. Here we test an alternate method for accurately estimating the composition of fragmented assemblages. The cumulated area per morphotype method is assessed, i.e., the sum of the area of all tests or fragments of a given morphotype in a sample. The percentage of each morphotype is calculated as a portion of the total cumulated area. Percentages of different morphotypes based on counting and cumulated area methods are compared one by one and analyzed using principal component analyses, a co-inertia analysis, and Shannon diversity indices. Morphotype percentages are further compared to an estimate of water depth based on microfacies description. Percentages of the morphotypes are not related to water depth. In all cases, counting and cumulated area methods deliver highly similar results, suggesting that the less time-consuming traditional counting method may provide robust estimates of assemblages. The size of each morphotype may deliver paleobiological information, for instance regarding biomass, but should be considered carefully due to the pervasive issue of fragmentation.

  14. Methods and devices for fabricating three-dimensional nanoscale structures

    Science.gov (United States)

    Rogers, John A.; Jeon, Seokwoo; Park, Jangung

    2010-04-27

    The present invention provides methods and devices for fabricating 3D structures and patterns of 3D structures on substrate surfaces, including symmetrical and asymmetrical patterns of 3D structures. Methods of the present invention provide a means of fabricating 3D structures having accurately selected physical dimensions, including lateral and vertical dimensions ranging from 10s of nanometers to 1000s of nanometers. In one aspect, methods are provided using a mask element comprising a conformable, elastomeric phase mask capable of establishing conformal contact with a radiation sensitive material undergoing photoprocessing. In another aspect, the temporal and/or spatial coherence of electromagnetic radiation using for photoprocessing is selected to fabricate complex structures having nanoscale features that do not extend entirely through the thickness of the structure fabricated.

  15. Linear finite element method for one-dimensional diffusion problems

    Energy Technology Data Exchange (ETDEWEB)

    Brandao, Michele A.; Dominguez, Dany S.; Iglesias, Susana M., E-mail: micheleabrandao@gmail.com, E-mail: dany@labbi.uesc.br, E-mail: smiglesias@uesc.br [Universidade Estadual de Santa Cruz (LCC/DCET/UESC), Ilheus, BA (Brazil). Departamento de Ciencias Exatas e Tecnologicas. Laboratorio de Computacao Cientifica

    2011-07-01

    We describe in this paper the fundamentals of Linear Finite Element Method (LFEM) applied to one-speed diffusion problems in slab geometry. We present the mathematical formulation to solve eigenvalue and fixed source problems. First, we discretized a calculus domain using a finite set of elements. At this point, we obtain the spatial balance equations for zero order and first order spatial moments inside each element. Then, we introduce the linear auxiliary equations to approximate neutron flux and current inside the element and architect a numerical scheme to obtain the solution. We offer numerical results for fixed source typical model problems to illustrate the method's accuracy for coarse-mesh calculations in homogeneous and heterogeneous domains. Also, we compare the accuracy and computational performance of LFEM formulation with conventional Finite Difference Method (FDM). (author)

  16. Chameleon fragmentation

    Energy Technology Data Exchange (ETDEWEB)

    Brax, Philippe [Institut de Physique Théorique, CEA, IPhT, CNRS, URA 2306, F-91191Gif/Yvette Cedex (France); Upadhye, Amol, E-mail: philippe.brax@cea.fr, E-mail: aupadhye@anl.gov [Institute for the Early Universe, Ewha University, International Education, Building #601, 11-1, Daehyun-Dong Seodaemun-Gu, Seoul 120-750 (Korea, Republic of)

    2014-02-01

    A scalar field dark energy candidate could couple to ordinary matter and photons, enabling its detection in laboratory experiments. Here we study the quantum properties of the chameleon field, one such dark energy candidate, in an ''afterglow'' experiment designed to produce, trap, and detect chameleon particles. In particular, we investigate the possible fragmentation of a beam of chameleon particles into multiple particle states due to the highly non-linear interaction terms in the chameleon Lagrangian. Fragmentation could weaken the constraints of an afterglow experiment by reducing the energy of the regenerated photons, but this energy reduction also provides a unique signature which could be detected by a properly-designed experiment. We show that constraints from the CHASE experiment are essentially unaffected by fragmentation for φ{sup 4} and 1/φ potentials, but are weakened for steeper potentials, and we discuss possible future afterglow experiments.

  17. Chameleon fragmentation

    International Nuclear Information System (INIS)

    Brax, Philippe; Upadhye, Amol

    2014-01-01

    A scalar field dark energy candidate could couple to ordinary matter and photons, enabling its detection in laboratory experiments. Here we study the quantum properties of the chameleon field, one such dark energy candidate, in an ''afterglow'' experiment designed to produce, trap, and detect chameleon particles. In particular, we investigate the possible fragmentation of a beam of chameleon particles into multiple particle states due to the highly non-linear interaction terms in the chameleon Lagrangian. Fragmentation could weaken the constraints of an afterglow experiment by reducing the energy of the regenerated photons, but this energy reduction also provides a unique signature which could be detected by a properly-designed experiment. We show that constraints from the CHASE experiment are essentially unaffected by fragmentation for φ 4 and 1/φ potentials, but are weakened for steeper potentials, and we discuss possible future afterglow experiments

  18. The Chimera Method of Simulation for Unsteady Three-Dimensional Viscous Flow

    Science.gov (United States)

    Meakin, Robert L.

    1996-01-01

    The Chimera overset grid method is reviewed and discussed in the context of a method of solution and analysis of unsteady three-dimensional viscous flows. The state of maturity of the various pieces of support software required to use the approach is discussed. A variety of recent applications of the method is presented. Current limitations of the approach are defined.

  19. Peculiarities of cyclotron magnetic system calculation with the finite difference method using two-dimensional approximation

    International Nuclear Information System (INIS)

    Shtromberger, N.L.

    1989-01-01

    To design a cyclotron magnetic system the legitimacy of two-dimensional approximations application is discussed. In all the calculations the finite difference method is used, and the linearization method with further use of the gradient conjugation method is used to solve the set of finite-difference equations. 3 refs.; 5 figs

  20. Three-dimensional wake field analysis by boundary element method

    International Nuclear Information System (INIS)

    Miyata, K.

    1987-01-01

    A computer code HERTPIA was developed for the calculation of electromagnetic wake fields excited by charged particles travelling through arbitrarily shaped accelerating cavities. This code solves transient wave problems for a Hertz vector. The numerical analysis is based on the boundary element method. This program is validated by comparing its results with analytical solutions in a pill-box cavity

  1. TreePM Method for Two-Dimensional Cosmological Simulations ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    We discuss the integration of the equations of motion that we use in the 2d TreePM code in section 7. .... spaced values of r in order to keep interpolation errors in control. .... hence we cannot use the usual leap-frog method. We recast the ...

  2. Improved algorithm for three-dimensional inverse method

    Science.gov (United States)

    Qiu, Xuwen

    An inverse method, which works for full 3D viscous applications in turbomachinery aerodynamic design, is developed. The method takes pressure loading and thickness distribution as inputs and computes the 3D-blade geometry. The core of the inverse method consists of two closely related steps, which are integrated into a time-marching procedure of a Navier-Stokes solver. First, the pressure loading condition is enforced while flow is allowed to cross the blade surfaces. A permeable blade boundary condition is developed here in order to be consistent with the propagation characteristics of the transient Navier-Stokes equations. In the second step, the blade geometry is adjusted so that the flow-tangency condition is satisfied for the new blade. A Non-Uniform Rational B-Spline (NURBS) model is used to represent the span-wise camber curves. The flow-tangency condition is then transformed into a general linear least squares fitting problem, which is solved by a robust Singular Value Decomposition (SVD) scheme. This blade geometry generation scheme allows the designer to have direct control over the smoothness of the calculated blade, and thus ensures the numerical stability during the iteration process. Numerical experiments show that this method is very accurate, efficient and robust. In target-shooting tests, the program was able to converge to the target blade accurately from a different initial blade. The speed of an inverse run is only about 15% slower than its analysis counterpart, which means a complete 3D viscous inverse design can be done in a matter of hours. The method is also proved to work well with the presence of clearance between the blade and the housing, a key factor to be considered in aerodynamic design. The method is first developed for blades without splitters, and is then extended to provide the capability of analyzing and designing machines with splitters. This gives designers an integrated environment where the aerodynamic design of both full

  3. A numerical method for two-dimensional anisotropic transport problem in cylindrical geometry

    International Nuclear Information System (INIS)

    Du Mingsheng; Feng Tiekai; Fu Lianxiang; Cao Changshu; Liu Yulan

    1988-01-01

    The authors deal with the triangular mesh-discontinuous finite element method for solving the time-dependent anisotropic neutron transport problem in two-dimensional cylindrical geometry. A prior estimate of the numerical solution is given. Stability is proved. The authors have computed a two dimensional anisotropic neutron transport problem and a Tungsten-Carbide critical assembly problem by using the numerical method. In comparision with DSN method and the experimental results obtained by others both at home and abroad, the method is satisfactory

  4. Solution of (3+1-Dimensional Nonlinear Cubic Schrodinger Equation by Differential Transform Method

    Directory of Open Access Journals (Sweden)

    Hassan A. Zedan

    2012-01-01

    Full Text Available Four-dimensional differential transform method has been introduced and fundamental theorems have been defined for the first time. Moreover, as an application of four-dimensional differential transform, exact solutions of nonlinear system of partial differential equations have been investigated. The results of the present method are compared very well with analytical solution of the system. Differential transform method can easily be applied to linear or nonlinear problems and reduces the size of computational work. With this method, exact solutions may be obtained without any need of cumbersome work, and it is a useful tool for analytical and numerical solutions.

  5. Two-dimensional isostatic meshes in the finite element method

    OpenAIRE

    Martínez Marín, Rubén; Samartín, Avelino

    2002-01-01

    In a Finite Element (FE) analysis of elastic solids several items are usually considered, namely, type and shape of the elements, number of nodes per element, node positions, FE mesh, total number of degrees of freedom (dot) among others. In this paper a method to improve a given FE mesh used for a particular analysis is described. For the improvement criterion different objective functions have been chosen (Total potential energy and Average quadratic error) and the number of nodes and dof's...

  6. A novel method for in Situ detection of hydrolyzable casein fragments in a cheese matrix by antibody phage display technique and CLSM

    DEFF Research Database (Denmark)

    Duan, Zhi; Brüggemann, Dagmar Adeline; Siegumfeldt, Henrik

    2009-01-01

    three small synthetic peptides of the alpha(s1)-casein sequence. These peptides traverse enzymatic cleavage sites of casein during cheese ripening. The specificity of the generated anti-peptide antibodies was determined by ELISA and Western blot. Finally, an immunofluorescent labeling protocol......A novel method to monitor in situ hydrolyzable casein fragments during cheese ripening by using immunofluorescent labeling and confocal laser scanning microscopy (CLSM) was developed. Monoclonal single chain variable fragments of antibody (scFvs) were generated by antibody phage display toward...

  7. Dimensional analysis and self-similarity methods for engineers and scientists

    CERN Document Server

    Zohuri, Bahman

    2015-01-01

    This ground-breaking reference provides an overview of key concepts in dimensional analysis, and then pushes well beyond traditional applications in fluid mechanics to demonstrate how powerful this tool can be in solving complex problems across many diverse fields. Of particular interest is the book's coverage of  dimensional analysis and self-similarity methods in nuclear and energy engineering. Numerous practical examples of dimensional problems are presented throughout, allowing readers to link the book's theoretical explanations and step-by-step mathematical solutions to practical impleme

  8. Three-dimensional space-charge calculation method

    International Nuclear Information System (INIS)

    Lysenko, W.P.; Wadlinger, E.A.

    1980-09-01

    A method is presented for calculating space-charge forces on individual particles in a particle tracing simulation code. Poisson's equation is solved in three dimensions with boundary conditions specified on an arbitrary surface. When the boundary condition is defined by an impressed radio-frequency field, the external electric fields as well as the space-charge fields are determined. A least squares fitting procedure is used to calculate the coefficients of expansion functions, which need not be orthogonal nor individually satisfy the boundary condition

  9. A Diminution Method of Large Multi-dimensional Data Retrievals

    Directory of Open Access Journals (Sweden)

    Nushwan Yousif Baithoon

    2010-01-01

    Full Text Available The intention of this work is to introduce a method ofcompressing data at the transmitter (source and expanding it atthe receiver (destination.The amount of data compression is directly related to datadimensionality, hence, for example an N by N RGB image file isconsidered to be an M-D, with M=3, image data file.Also, the amount of scatter in an M-D file, hence, the covariancematrix is calculated, along with the average value of eachdimension, to represent the signature or code for each individualdata set to be sent by the source.At the destination random sets can test a particular receivedsignature so that only one set is acceptable thus giving thecorresponding intended set to be received.Sound results are obtained depending on the constrains beingimplemented. These constrains are user tolerant in so far as howwell tuned or rapid the information is to be processed for dataretrieval.The proposed method is well suited in application areas whereboth source and destination are communicating using the samesets of data files at each end. Also such a technique is feasible forthe availability of fast microprocessors and frame-grabbers.

  10. Calculation of two-dimensional thermal transients by the finite element method

    International Nuclear Information System (INIS)

    Fontoura Rodrigues, J.L.A. da; Barcellos, C.S. de

    1981-01-01

    The linear heat conduction through anisotropic and/or heterogeneous matter, in either two-dimensional fields with any kind of geometry or three-dimensional fields with axial symmetry is analysed. It only accepts time-independent boundary conditions and it is possible to have internal heat generation. The solution is obtained by modal analysis employing the finite element method under Galerkin formulation. (Author) [pt

  11. Bespoke Fragments

    DEFF Research Database (Denmark)

    Kruse Aagaard, Anders

    2017-01-01

    The PhD project Bespoke Fragments is investigating the space emerging in the exploration of the relationship between digital drawing and fabrication, and the field of materials and their properties and capacities. Through a series of different experiments, the project situates itself in a shuttli...

  12. Rock fragmentation

    Energy Technology Data Exchange (ETDEWEB)

    Brown, W.S.; Green, S.J.; Hakala, W.W.; Hustrulid, W.A.; Maurer, W.C. (eds.)

    1976-01-01

    Experts in rock mechanics, mining, excavation, drilling, tunneling and use of underground space met to discuss the relative merits of a wide variety of rock fragmentation schemes. Information is presented on novel rock fracturing techniques; tunneling using electron beams, thermocorer, electric spark drills, water jets, and diamond drills; and rock fracturing research needs for mining and underground construction. (LCL)

  13. Method and apparatus for two-dimensional spectroscopy

    Science.gov (United States)

    DeCamp, Matthew F.; Tokmakoff, Andrei

    2010-10-12

    Preferred embodiments of the invention provide for methods and systems of 2D spectroscopy using ultrafast, first light and second light beams and a CCD array detector. A cylindrically-focused second light beam interrogates a target that is optically interactive with a frequency-dispersed excitation (first light) pulse, whereupon the second light beam is frequency-dispersed at right angle orientation to its line of focus, so that the horizontal dimension encodes the spatial location of the second light pulse and the first light frequency, while the vertical dimension encodes the second light frequency. Differential spectra of the first and second light pulses result in a 2D frequency-frequency surface equivalent to double-resonance spectroscopy. Because the first light frequency is spatially encoded in the sample, an entire surface can be acquired in a single interaction of the first and second light pulses.

  14. Fragment-based {sup 13}C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods

    Energy Technology Data Exchange (ETDEWEB)

    Hartman, Joshua D.; Beran, Gregory J. O., E-mail: gregory.beran@ucr.edu [Department of Chemistry, University of California, Riverside, California 92521 (United States); Monaco, Stephen; Schatschneider, Bohdan [The Pennsylvania State University, The Eberly Campus, 2201 University Dr, Lemont Furnace, Pennsylvania 15456 (United States)

    2015-09-14

    We assess the quality of fragment-based ab initio isotropic {sup 13}C chemical shift predictions for a collection of 25 molecular crystals with eight different density functionals. We explore the relative performance of cluster, two-body fragment, combined cluster/fragment, and the planewave gauge-including projector augmented wave (GIPAW) models relative to experiment. When electrostatic embedding is employed to capture many-body polarization effects, the simple and computationally inexpensive two-body fragment model predicts both isotropic {sup 13}C chemical shifts and the chemical shielding tensors as well as both cluster models and the GIPAW approach. Unlike the GIPAW approach, hybrid density functionals can be used readily in a fragment model, and all four hybrid functionals tested here (PBE0, B3LYP, B3PW91, and B97-2) predict chemical shifts in noticeably better agreement with experiment than the four generalized gradient approximation (GGA) functionals considered (PBE, OPBE, BLYP, and BP86). A set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided based on these benchmark calculations. Statistical cross-validation procedures are used to demonstrate the robustness of these fits.

  15. Three dimensional wavefield modeling using the pseudospectral method; Pseudospectral ho ni yoru sanjigen hadoba modeling

    Energy Technology Data Exchange (ETDEWEB)

    Sato, T; Matsuoka, T [Japan Petroleum Exploration Corp., Tokyo (Japan); Saeki, T [Japan National Oil Corp., Tokyo (Japan). Technology Research Center

    1997-05-27

    Discussed in this report is a wavefield simulation in the 3-dimensional seismic survey. With the level of the object of exploration growing deeper and the object more complicated in structure, the survey method is now turning 3-dimensional. There are several modelling methods for numerical calculation of 3-dimensional wavefields, such as the difference method, pseudospectral method, and the like, all of which demand an exorbitantly large memory and long calculation time, and are costly. Such methods have of late become feasible, however, thanks to the advent of the parallel computer. As compared with the difference method, the pseudospectral method requires a smaller computer memory and shorter computation time, and is more flexible in accepting models. It outputs the result in fullwave just like the difference method, and does not cause wavefield numerical variance. As the computation platform, the parallel computer nCUBE-2S is used. The object domain is divided into the number of the processors, and each of the processors takes care only of its share so that parallel computation as a whole may realize a very high-speed computation. By the use of the pseudospectral method, a 3-dimensional simulation is completed within a tolerable computation time length. 7 refs., 3 figs., 1 tab.

  16. A finite-dimensional reduction method for slightly supercritical elliptic problems

    Directory of Open Access Journals (Sweden)

    Riccardo Molle

    2004-01-01

    Full Text Available We describe a finite-dimensional reduction method to find solutions for a class of slightly supercritical elliptic problems. A suitable truncation argument allows us to work in the usual Sobolev space even in the presence of supercritical nonlinearities: we modify the supercritical term in such a way to have subcritical approximating problems; for these problems, the finite-dimensional reduction can be obtained applying the methods already developed in the subcritical case; finally, we show that, if the truncation is realized at a sufficiently large level, then the solutions of the approximating problems, given by these methods, also solve the supercritical problems when the parameter is small enough.

  17. Calculation of two-dimensional thermal transients by the method of finite elements

    International Nuclear Information System (INIS)

    Fontoura Rodrigues, J.L.A. da.

    1980-08-01

    The unsteady linear heat conduction analysis throught anisotropic and/or heterogeneous matter, in either two-dimensional fields with any kind of geometry or three-dimensional fields with axial symmetry is presented. The boundary conditions and the internal heat generation are supposed time - independent. The solution is obtained by modal analysis employing the finite element method under Galerkin formulation. Optionally, it can be used with a reduced resolution method called Stoker Economizing Method wich allows a decrease on the program processing costs. (Author) [pt

  18. Comparing 3-dimensional virtual methods for reconstruction in craniomaxillofacial surgery.

    Science.gov (United States)

    Benazzi, Stefano; Senck, Sascha

    2011-04-01

    In the present project, the virtual reconstruction of digital osteomized zygomatic bones was simulated using different methods. A total of 15 skulls were scanned using computed tomography, and a virtual osteotomy of the left zygomatic bone was performed. Next, virtual reconstructions of the missing part using mirror imaging (with and without best fit registration) and thin plate spline interpolation functions were compared with the original left zygomatic bone. In general, reconstructions using thin plate spline warping showed better results than the mirroring approaches. Nevertheless, when dealing with skulls characterized by a low degree of asymmetry, mirror imaging and subsequent registration can be considered a valid and easy solution for zygomatic bone reconstruction. The mirroring tool is one of the possible alternatives in reconstruction, but it might not always be the optimal solution (ie, when the hemifaces are asymmetrical). In the present pilot study, we have verified that best fit registration of the mirrored unaffected hemiface and thin plate spline warping achieved better results in terms of fitting accuracy, overcoming the evident limits of the mirroring approach. Copyright © 2011 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

  19. Development of three-dimensional ENRICHED FREE MESH METHOD and its application to crack analysis

    International Nuclear Information System (INIS)

    Suzuki, Hayato; Matsubara, Hitoshi; Ezawa, Yoshitaka; Yagawa, Genki

    2010-01-01

    In this paper, we describe a method for three-dimensional high accurate analysis of a crack included in a large-scale structure. The Enriched Free Mesh Method (EFMM) is a method for improving the accuracy of the Free Mesh Method (FMM), which is a kind of meshless method. First, we developed an algorithm of the three-dimensional EFMM. The elastic problem was analyzed using the EFMM and we find that its accuracy compares advantageously with the FMM, and the number of CG iterations is smaller. Next, we developed a method for calculating the stress intensity factor by employing the EFMM. The structure with a crack was analyzed using the EFMM, and the stress intensity factor was calculated by the developed method. The analysis results were very well in agreement with reference solution. It was shown that the proposed method is very effective in the analysis of the crack included in a large-scale structure. (author)

  20. The analysis of RPV fast neutron flux calculation for PWR with three-dimensional SN method

    International Nuclear Information System (INIS)

    Yang Shouhai; Chen Yixue; Wang Weijin; Shi Shengchun; Lu Daogang

    2011-01-01

    Discrete ordinates (S N ) method is one of the most widely used method for reactor pressure vessel (RPV) design. As the fast development of computer CPU speed and memory capacity and consummation of three-dimensional discrete-ordinates method, it is mature for 3-D S N method to be used to engineering design for nuclear facilities. This work was done specifically for PWR model, with the results of 3-D core neutron transport calculation by 3-D core calculation, 3-D RPV fast neutron flux distribution obtain by 3-D S N method were compared with gained by 1-D and 2-D S N method and the 3-D Monte Carlo (MC) method. In this paper, the application of three-dimensional S N method in calculating RPV fast neutron flux distribution for pressurized water reactor (PWR) is presented and discussed. (authors)

  1. The dimension split element-free Galerkin method for three-dimensional potential problems

    Science.gov (United States)

    Meng, Z. J.; Cheng, H.; Ma, L. D.; Cheng, Y. M.

    2018-02-01

    This paper presents the dimension split element-free Galerkin (DSEFG) method for three-dimensional potential problems, and the corresponding formulae are obtained. The main idea of the DSEFG method is that a three-dimensional potential problem can be transformed into a series of two-dimensional problems. For these two-dimensional problems, the improved moving least-squares (IMLS) approximation is applied to construct the shape function, which uses an orthogonal function system with a weight function as the basis functions. The Galerkin weak form is applied to obtain a discretized system equation, and the penalty method is employed to impose the essential boundary condition. The finite difference method is selected in the splitting direction. For the purposes of demonstration, some selected numerical examples are solved using the DSEFG method. The convergence study and error analysis of the DSEFG method are presented. The numerical examples show that the DSEFG method has greater computational precision and computational efficiency than the IEFG method.

  2. Fourier method for three-dimensional partial differential equations in periodic geometry. Application: HELIAC

    International Nuclear Information System (INIS)

    Shestakov, A.I.; Mirin, A.A.

    1984-01-01

    A numerical method based on Fourier expansions and finite differences is presented. The method is demonstrated by solving a scalar, three-dimensional elliptic equation arising in MFE research, but has applicability to a wider class of problems. The scheme solves equations whose solutions are expected to be periodic in one or more of the independent variables

  3. Computational Methods for Inviscid and Viscous Two-and-Three-Dimensional Flow Fields.

    Science.gov (United States)

    1975-01-01

    Difference Equations Over a Network, Watson Sei. Comput. Lab. Report, 19U9. 173- Isaacson, E. and Keller, H. B., Analaysis of Numerical Methods...element method has given a new impulse to the old mathematical theory of multivariate interpolation. We first study the one-dimensional case, which

  4. Validation of a Novel 3-Dimensional Sonographic Method for Assessing Gastric Accommodation in Healthy Adults

    NARCIS (Netherlands)

    Buisman, Wijnand J; van Herwaarden-Lindeboom, MYA; Mauritz, Femke A; El Ouamari, Mourad; Hausken, Trygve; Olafsdottir, Edda J; van der Zee, David C; Gilja, Odd Helge

    OBJECTIVES: A novel automated 3-dimensional (3D) sonographic method has been developed for measuring gastric volumes. This study aimed to validate and assess the reliability of this novel 3D sonographic method compared to the reference standard in 3D gastric sonography: freehand magneto-based 3D

  5. A finite element method for calculating the 3-dimensional magnetic fields of cyclotron

    International Nuclear Information System (INIS)

    Zhao Xiaofeng

    1986-01-01

    A series of formula of the finite element method (scalar potential) for calculating the three-dimensional magnetic field of the main magnet of a sector focused cyclotron, and the realization method of the periodic boundary conditions in the code are given

  6. Robust Object Tracking Using Valid Fragments Selection.

    Science.gov (United States)

    Zheng, Jin; Li, Bo; Tian, Peng; Luo, Gang

    Local features are widely used in visual tracking to improve robustness in cases of partial occlusion, deformation and rotation. This paper proposes a local fragment-based object tracking algorithm. Unlike many existing fragment-based algorithms that allocate the weights to each fragment, this method firstly defines discrimination and uniqueness for local fragment, and builds an automatic pre-selection of useful fragments for tracking. Then, a Harris-SIFT filter is used to choose the current valid fragments, excluding occluded or highly deformed fragments. Based on those valid fragments, fragment-based color histogram provides a structured and effective description for the object. Finally, the object is tracked using a valid fragment template combining the displacement constraint and similarity of each valid fragment. The object template is updated by fusing feature similarity and valid fragments, which is scale-adaptive and robust to partial occlusion. The experimental results show that the proposed algorithm is accurate and robust in challenging scenarios.

  7. Homotopy decomposition method for solving one-dimensional time-fractional diffusion equation

    Science.gov (United States)

    Abuasad, Salah; Hashim, Ishak

    2018-04-01

    In this paper, we present the homotopy decomposition method with a modified definition of beta fractional derivative for the first time to find exact solution of one-dimensional time-fractional diffusion equation. In this method, the solution takes the form of a convergent series with easily computable terms. The exact solution obtained by the proposed method is compared with the exact solution obtained by using fractional variational homotopy perturbation iteration method via a modified Riemann-Liouville derivative.

  8. Architectural fragments

    DEFF Research Database (Denmark)

    Bang, Jacob Sebastian

    2018-01-01

    I have created a large collection of plaster models: a collection of Obstructions, errors and opportunities that may develop into architecture. The models are fragments of different complex shapes as well as more simple circular models with different profiling and diameters. In this contect I have....... I try to invent the ways of drawing the models - that decode and unfold them into architectural fragments- into future buildings or constructions in the landscape. [1] Luigi Moretti: Italian architect, 1907 - 1973 [2] Man Ray: American artist, 1890 - 1976. in 2015, I saw the wonderful exhibition...... "Man Ray - Human Equations" at the Glyptotek in Copenhagen, organized by the Philips Collection in Washington D.C. and the Israel Museum in Jerusalem (in 2013). See also: "Man Ray - Human Equations" catalogue published by Hatje Cantz Verlag, Germany, 2014....

  9. A new analytical method to solve the heat equation for a multi-dimensional composite slab

    International Nuclear Information System (INIS)

    Lu, X; Tervola, P; Viljanen, M

    2005-01-01

    A novel analytical approach has been developed for heat conduction in a multi-dimensional composite slab subject to time-dependent boundary changes of the first kind. Boundary temperatures are represented as Fourier series. Taking advantage of the periodic properties of boundary changes, the analytical solution is obtained and expressed explicitly. Nearly all the published works necessitate searching for associated eigenvalues in solving such a problem even for a one-dimensional composite slab. In this paper, the proposed method involves no iterative computation such as numerically searching for eigenvalues and no residue evaluation. The adopted method is simple which represents an extension of the novel analytical approach derived for the one-dimensional composite slab. Moreover, the method of 'separation of variables' employed in this paper is new. The mathematical formula for solutions is concise and straightforward. The physical parameters are clearly shown in the formula. Further comparison with numerical calculations is presented

  10. Biomedical applications of two- and three-dimensional deterministic radiation transport methods

    International Nuclear Information System (INIS)

    Nigg, D.W.

    1992-01-01

    Multidimensional deterministic radiation transport methods are routinely used in support of the Boron Neutron Capture Therapy (BNCT) Program at the Idaho National Engineering Laboratory (INEL). Typical applications of two-dimensional discrete-ordinates methods include neutron filter design, as well as phantom dosimetry. The epithermal-neutron filter for BNCT that is currently available at the Brookhaven Medical Research Reactor (BMRR) was designed using such methods. Good agreement between calculated and measured neutron fluxes was observed for this filter. Three-dimensional discrete-ordinates calculations are used routinely for dose-distribution calculations in three-dimensional phantoms placed in the BMRR beam, as well as for treatment planning verification for live canine subjects. Again, good agreement between calculated and measured neutron fluxes and dose levels is obtained

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

    Science.gov (United States)

    Nagaoka, Tomoaki; Watanabe, Soichi

    2010-01-01

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

  12. Distinguishing between the bone fragments of medium-sized mammals and children. A histological identification method for archaeology.

    NARCIS (Netherlands)

    Cuijpers, A.G.F.M.

    2009-01-01

    In archaeology, it is not always possible to identify bone fragments. A novel approach was chosen to assess the potential of histology as an identification tool. Instead of studying a few bones of different categories from many species, this study concentrated on the diaphyses of long bones in four

  13. Fragmentation of molecular ions in differential mobility spectrometry as a method for identification of chemical warfare agents.

    Science.gov (United States)

    Maziejuk, M; Puton, J; Szyposzyńska, M; Witkiewicz, Z

    2015-11-01

    The subject of the work is the use of differential mobility spectrometry (DMS) for the detection of chemical warfare agents (CWA). Studies were performed for mustard gas, i.e., bis(2-chloroethyl)sulfide (HD), sarin, i.e., O-isopropyl methylphosphonofluoridate (GB) and methyl salicylate (MS) used as test compounds. Measurements were conducted with two ceramic DMS analyzers of different constructions allowing the generation of an electric field with an intensity of more than 120 Td. Detector signals were measured for positive and negative modes of operation in a temperature range from 0 to 80 °C. Fragmentations of ions containing analyte molecules were observed for all tested compounds. The effective temperatures of fragmentation estimated on the basis of dispersion plots were equal from about 148 °C for GB to 178 °C for MS. It was found that values of separation voltage (SV) and compensation voltage (CV) at which the fragmentation of sample ions is observed may be the parameters improving the certainty of detection for different analytes. The DMS analyzers enabling the observation of ion fragmentation can be successfully used for effective CWA detection. Copyright © 2015. Published by Elsevier B.V.

  14. A three-dimensional correlation method for registration of medical images in radiology

    Energy Technology Data Exchange (ETDEWEB)

    Georgiou, Michalakis; Sfakianakis, George N [Department of Radiology, University of Miami, Jackson Memorial Hospital, Miami, FL 33136 (United States); Nagel, Joachim H [Institute of Biomedical Engineering, University of Stuttgart, Stuttgart 70174 (Germany)

    1999-12-31

    The availability of methods to register multi-modality images in order to `fuse` them to correlate their information is increasingly becoming an important requirement for various diagnostic and therapeutic procedures. A variety of image registration methods have been developed but they remain limited to specific clinical applications. Assuming rigid body transformation, two images can be registered if their differences are calculated in terms of translation, rotation and scaling. This paper describes the development and testing of a new correlation based approach for three-dimensional image registration. First, the scaling factors introduced by the imaging devices are calculated and compensated for. Then, the two images become translation invariant by computing their three-dimensional Fourier magnitude spectra. Subsequently, spherical coordinate transformation is performed and then the three-dimensional rotation is computed using a novice approach referred to as {sup p}olar Shells{sup .} The method of polar shells maps the three angles of rotation into one rotation and two translations of a two-dimensional function and then proceeds to calculate them using appropriate transformations based on the Fourier invariance properties. A basic assumption in the method is that the three-dimensional rotation is constrained to one large and two relatively small angles. This assumption is generally satisfied in normal clinical settings. The new three-dimensional image registration method was tested with simulations using computer generated phantom data as well as actual clinical data. Performance analysis and accuracy evaluation of the method using computer simulations yielded errors in the sub-pixel range. (authors) 6 refs., 3 figs.

  15. AFLP fragment isolation technique as a method to produce random sequences for single nucleotide polymorphism discovery in the green turtle, Chelonia mydas.

    Science.gov (United States)

    Roden, Suzanne E; Dutton, Peter H; Morin, Phillip A

    2009-01-01

    The green sea turtle, Chelonia mydas, was used as a case study for single nucleotide polymorphism (SNP) discovery in a species that has little genetic sequence information available. As green turtles have a complex population structure, additional nuclear markers other than microsatellites could add to our understanding of their complex life history. Amplified fragment length polymorphism technique was used to generate sets of random fragments of genomic DNA, which were then electrophoretically separated with precast gels, stained with SYBR green, excised, and directly sequenced. It was possible to perform this method without the use of polyacrylamide gels, radioactive or fluorescent labeled primers, or hybridization methods, reducing the time, expense, and safety hazards of SNP discovery. Within 13 loci, 2547 base pairs were screened, resulting in the discovery of 35 SNPs. Using this method, it was possible to yield a sufficient number of loci to screen for SNP markers without the availability of prior sequence information.

  16. A two-dimensional adaptive numerical grids generation method and its realization

    International Nuclear Information System (INIS)

    Xu Tao; Shui Hongshou

    1998-12-01

    A two-dimensional adaptive numerical grids generation method and its particular realization is discussed. This method is effective and easy to realize if the control functions are given continuously, and the grids for some regions is showed in this case. For Computational Fluid Dynamics, because the control values of adaptive grids-numerical solution is given in dispersed form, it is needed to interpolate these values to get the continuous control functions. These interpolation techniques are discussed, and some efficient adaptive grids are given. A two-dimensional fluid dynamics example was also given

  17. Approximate solutions for the two-dimensional integral transport equation. The critically mixed methods of resolution

    International Nuclear Information System (INIS)

    Sanchez, Richard.

    1980-11-01

    This work is divided into two part the first part (note CEA-N-2165) deals with the solution of complex two-dimensional transport problems, the second one treats the critically mixed methods of resolution. These methods are applied for one-dimensional geometries with highly anisotropic scattering. In order to simplify the set of integral equation provided by the integral transport equation, the integro-differential equation is used to obtain relations that allow to lower the number of integral equation to solve; a general mathematical and numerical study is presented [fr

  18. Development of three-dimensional individual bubble-velocity measurement method by bubble tracking

    International Nuclear Information System (INIS)

    Kanai, Taizo; Furuya, Masahiro; Arai, Takahiro; Shirakawa, Kenetsu; Nishi, Yoshihisa

    2012-01-01

    A gas-liquid two-phase flow in a large diameter pipe exhibits a three-dimensional flow structure. Wire-Mesh Sensor (WMS) consists of a pair of parallel wire layers located at the cross section of a pipe. Both the parallel wires cross at 90o with a small gap and each intersection acts as an electrode. The WMS allows the measurement of the instantaneous two-dimensional void-fraction distribution over the cross-section of a pipe, based on the difference between the local instantaneous conductivity of the two-phase flow. Furthermore, the WMS can acquire a phasic-velocity on the basis of the time lag of void signals between two sets of WMS. Previously, the acquired phasic velocity was one-dimensional with time-averaged distributions. The authors propose a method to estimate the three-dimensional bubble-velocity individually WMS data. The bubble velocity is determined by the tracing method. In this tracing method, each bubble is separated from WMS signal, volume and center coordinates of the bubble is acquired. Two bubbles with near volume at two WMS are considered as the same bubble and bubble velocity is estimated from the displacement of the center coordinates of the two bubbles. The validity of this method is verified by a swirl flow. The proposed method can successfully visualize a swirl flow structure and the results of this method agree with the results of cross-correlation analysis. (author)

  19. Correlation based method for comparing and reconstructing quasi-identical two-dimensional structures

    International Nuclear Information System (INIS)

    Mejia-Barbosa, Y.

    2000-03-01

    We show a method for comparing and reconstructing two similar amplitude-only structures, which are composed by the same number of identical apertures. The structures are two-dimensional and differ only in the location of one of the apertures. The method is based on a subtraction algorithm, which involves the auto-correlations and cross-correlation functions of the compared structures. Experimental results illustrate the feasibility of the method. (author)

  20. Semi-implicit method for three-dimensional compressible MHD simulation

    International Nuclear Information System (INIS)

    Harned, D.S.; Kerner, W.

    1984-03-01

    A semi-implicit method for solving the full compressible MHD equations in three dimensions is presented. The method is unconditionally stable with respect to the fast compressional modes. The time step is instead limited by the slower shear Alfven motion. The computing time required for one time step is essentially the same as for explicit methods. Linear stability limits are derived and verified by three-dimensional tests on linear waves in slab geometry. (orig.)

  1. Development of calculation method for one-dimensional kinetic analysis in fission reactors, including feedback effects

    International Nuclear Information System (INIS)

    Paixao, S.B.; Marzo, M.A.S.; Alvim, A.C.M.

    1986-01-01

    The calculation method used in WIGLE code is studied. Because of the non availability of such a praiseworthy solution, expounding the method minutely has been tried. This developed method has been applied for the solution of the one-dimensional, two-group, diffusion equations in slab, axial analysis, including non-boiling heat transfer, accountig for feedback. A steady-state program (CITER-1D), written in FORTRAN 4, has been implemented, providing excellent results, ratifying the developed work quality. (Author) [pt

  2. A study on three dimensional layout design by the simulated annealing method

    International Nuclear Information System (INIS)

    Jang, Seung Ho

    2008-01-01

    Modern engineered products are becoming increasingly complicated and most consumers prefer compact designs. Layout design plays an important role in many engineered products. The objective of this study is to suggest a method to apply the simulated annealing method to the arbitrarily shaped three-dimensional component layout design problem. The suggested method not only optimizes the packing density but also satisfies constraint conditions among the components. The algorithm and its implementation as suggested in this paper are extendable to other research objectives

  3. Development of three-dimensional transport code by the double finite element method

    International Nuclear Information System (INIS)

    Fujimura, Toichiro

    1985-01-01

    Development of a three-dimensional neutron transport code by the double finite element method is described. Both of the Galerkin and variational methods are adopted to solve the problem, and then the characteristics of them are compared. Computational results of the collocation method, developed as a technique for the vaviational one, are illustrated in comparison with those of an Ssub(n) code. (author)

  4. A novel three-dimensional mesh deformation method based on sphere relaxation

    International Nuclear Information System (INIS)

    Zhou, Xuan; Li, Shuixiang

    2015-01-01

    In our previous work (2013) [19], we developed a disk relaxation based mesh deformation method for two-dimensional mesh deformation. In this paper, the idea of the disk relaxation is extended to the sphere relaxation for three-dimensional meshes with large deformations. We develop a node based pre-displacement procedure to apply initial movements on nodes according to their layer indices. Afterwards, the nodes are moved locally by the improved sphere relaxation algorithm to transfer boundary deformations and increase the mesh quality. A three-dimensional mesh smoothing method is also adopted to prevent the occurrence of the negative volume of elements, and further improve the mesh quality. Numerical applications in three-dimension including the wing rotation, bending beam and morphing aircraft are carried out. The results demonstrate that the sphere relaxation based approach generates the deformed mesh with high quality, especially regarding complex boundaries and large deformations

  5. A novel three-dimensional mesh deformation method based on sphere relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Xuan [Department of Mechanics & Engineering Science, College of Engineering, Peking University, Beijing, 100871 (China); Institute of Applied Physics and Computational Mathematics, Beijing, 100094 (China); Li, Shuixiang, E-mail: lsx@pku.edu.cn [Department of Mechanics & Engineering Science, College of Engineering, Peking University, Beijing, 100871 (China)

    2015-10-01

    In our previous work (2013) [19], we developed a disk relaxation based mesh deformation method for two-dimensional mesh deformation. In this paper, the idea of the disk relaxation is extended to the sphere relaxation for three-dimensional meshes with large deformations. We develop a node based pre-displacement procedure to apply initial movements on nodes according to their layer indices. Afterwards, the nodes are moved locally by the improved sphere relaxation algorithm to transfer boundary deformations and increase the mesh quality. A three-dimensional mesh smoothing method is also adopted to prevent the occurrence of the negative volume of elements, and further improve the mesh quality. Numerical applications in three-dimension including the wing rotation, bending beam and morphing aircraft are carried out. The results demonstrate that the sphere relaxation based approach generates the deformed mesh with high quality, especially regarding complex boundaries and large deformations.

  6. Pseudo three-dimensional modeling of particle-fuel packing using distinct element method

    International Nuclear Information System (INIS)

    Yuki, Daisuke; Takata, Takashi; Yamaguchi, Akira

    2007-01-01

    Vibration-based packing of sphere-pac fuel is a key technology in a nuclear fuel manufacturing. In the production process of sphere-pac fuel, a Mixed Oxide (MOX) fuel is formed to spherical form and is packed in a cladding tube by adding a vibration force. In the present study, we have developed a numerical simulation method to investigate the behavior of the particles in a vibrated tube using the Distinct Element Method (DEM). In general, the DEM requires a significant computational cost. Therefore we propose a new approach in which a small particle can move through the space between three larger particles even in the two-dimensional simulation. We take into account an equivalent three-dimensional effect in the equations of motion. Thus it is named pseudo three-dimensional modeling. (author)

  7. Finite element method for radiation heat transfer in multi-dimensional graded index medium

    International Nuclear Information System (INIS)

    Liu, L.H.; Zhang, L.; Tan, H.P.

    2006-01-01

    In graded index medium, ray goes along a curved path determined by Fermat principle, and curved ray-tracing is very difficult and complex. To avoid the complicated and time-consuming computation of curved ray trajectories, a finite element method based on discrete ordinate equation is developed to solve the radiative transfer problem in a multi-dimensional semitransparent graded index medium. Two particular test problems of radiative transfer are taken as examples to verify this finite element method. The predicted dimensionless net radiative heat fluxes are determined by the proposed method and compared with the results obtained by finite volume method. The results show that the finite element method presented in this paper has a good accuracy in solving the multi-dimensional radiative transfer problem in semitransparent graded index medium

  8. Intermediate Fragment

    DEFF Research Database (Denmark)

    Kruse Aagaard, Anders

    2015-01-01

    This text and its connected exhibition are aiming to reflect both on the thoughts, the processes and the outcome of the design and production of the artefact ‘Intermediate Fragment’ and making as a contemporary architectural tool in general. Intermediate Fragment was made for the exhibition ‘Enga...... of realising an exhibition object was conceived, but expanded, refined and concretised through this process. The context of the work shown here is an interest in a tighter, deeper connection between experimentally obtained material knowledge and architectural design....

  9. Fragmentation based

    Directory of Open Access Journals (Sweden)

    Shashank Srivastava

    2014-01-01

    Gaining the understanding of mobile agent architecture and the security concerns, in this paper, we proposed a security protocol which addresses security with mitigated computational cost. The protocol is a combination of self decryption, co-operation and obfuscation technique. To circumvent the risk of malicious code execution in attacking environment, we have proposed fragmentation based encryption technique. Our encryption technique suits the general mobile agent size and provides hard and thorny obfuscation increasing attacker’s challenge on the same plane providing better performance with respect to computational cost as compared to existing AES encryption.

  10. Bespoke Fragments

    DEFF Research Database (Denmark)

    Kruse Aagaard, Anders

    2016-01-01

    , investigating levels of control and uncertainty encountering with these. Through tangible experiments, the project discusses materiality and digitally controlled fabrications tools as direct expansions of the architect's digital drawing and workflow. The project sees this expansion as an opportunity to connect...... architectural designs, tectonics and aesthetics. In this Ph.D.-project a series a physical, but conceptual, experiment plays the central role in the knowledge production. The experiments result in materialised architectural fragments and tangible experiences. However, these creations also become the driving...

  11. A Comparison of Methods for Estimating the Determinant of High-Dimensional Covariance Matrix

    KAUST Repository

    Hu, Zongliang

    2017-09-27

    The determinant of the covariance matrix for high-dimensional data plays an important role in statistical inference and decision. It has many real applications including statistical tests and information theory. Due to the statistical and computational challenges with high dimensionality, little work has been proposed in the literature for estimating the determinant of high-dimensional covariance matrix. In this paper, we estimate the determinant of the covariance matrix using some recent proposals for estimating high-dimensional covariance matrix. Specifically, we consider a total of eight covariance matrix estimation methods for comparison. Through extensive simulation studies, we explore and summarize some interesting comparison results among all compared methods. We also provide practical guidelines based on the sample size, the dimension, and the correlation of the data set for estimating the determinant of high-dimensional covariance matrix. Finally, from a perspective of the loss function, the comparison study in this paper may also serve as a proxy to assess the performance of the covariance matrix estimation.

  12. A Comparison of Methods for Estimating the Determinant of High-Dimensional Covariance Matrix.

    Science.gov (United States)

    Hu, Zongliang; Dong, Kai; Dai, Wenlin; Tong, Tiejun

    2017-09-21

    The determinant of the covariance matrix for high-dimensional data plays an important role in statistical inference and decision. It has many real applications including statistical tests and information theory. Due to the statistical and computational challenges with high dimensionality, little work has been proposed in the literature for estimating the determinant of high-dimensional covariance matrix. In this paper, we estimate the determinant of the covariance matrix using some recent proposals for estimating high-dimensional covariance matrix. Specifically, we consider a total of eight covariance matrix estimation methods for comparison. Through extensive simulation studies, we explore and summarize some interesting comparison results among all compared methods. We also provide practical guidelines based on the sample size, the dimension, and the correlation of the data set for estimating the determinant of high-dimensional covariance matrix. Finally, from a perspective of the loss function, the comparison study in this paper may also serve as a proxy to assess the performance of the covariance matrix estimation.

  13. A Comparison of Methods for Estimating the Determinant of High-Dimensional Covariance Matrix

    KAUST Repository

    Hu, Zongliang; Dong, Kai; Dai, Wenlin; Tong, Tiejun

    2017-01-01

    The determinant of the covariance matrix for high-dimensional data plays an important role in statistical inference and decision. It has many real applications including statistical tests and information theory. Due to the statistical and computational challenges with high dimensionality, little work has been proposed in the literature for estimating the determinant of high-dimensional covariance matrix. In this paper, we estimate the determinant of the covariance matrix using some recent proposals for estimating high-dimensional covariance matrix. Specifically, we consider a total of eight covariance matrix estimation methods for comparison. Through extensive simulation studies, we explore and summarize some interesting comparison results among all compared methods. We also provide practical guidelines based on the sample size, the dimension, and the correlation of the data set for estimating the determinant of high-dimensional covariance matrix. Finally, from a perspective of the loss function, the comparison study in this paper may also serve as a proxy to assess the performance of the covariance matrix estimation.

  14. A Two-Dimensional Solar Tracking Stationary Guidance Method Based on Feature-Based Time Series

    Directory of Open Access Journals (Sweden)

    Keke Zhang

    2018-01-01

    Full Text Available The amount of satellite energy acquired has a direct impact on operational capacities of the satellite. As for practical high functional density microsatellites, solar tracking guidance design of solar panels plays an extremely important role. Targeted at stationary tracking problems incurred in a new system that utilizes panels mounted in the two-dimensional turntable to acquire energies to the greatest extent, a two-dimensional solar tracking stationary guidance method based on feature-based time series was proposed under the constraint of limited satellite attitude coupling control capability. By analyzing solar vector variation characteristics within an orbit period and solar vector changes within the whole life cycle, such a method could be adopted to establish a two-dimensional solar tracking guidance model based on the feature-based time series to realize automatic switching of feature-based time series and stationary guidance under the circumstance of different β angles and the maximum angular velocity control, which was applicable to near-earth orbits of all orbital inclination. It was employed to design a two-dimensional solar tracking stationary guidance system, and a mathematical simulation for guidance performance was carried out in diverse conditions under the background of in-orbit application. The simulation results show that the solar tracking accuracy of two-dimensional stationary guidance reaches 10∘ and below under the integrated constraints, which meet engineering application requirements.

  15. General method of preparation of uniformly 13C, 15N-labeled DNA fragments for NMR analysis of DNA structures

    International Nuclear Information System (INIS)

    Rene, Brigitte; Masliah, Gregoire; Zargarian, Loussine; Mauffret, Olivier; Fermandjian, Serge

    2006-01-01

    Summary 13 C, 15 N labeling of biomolecules allows easier assignments of NMR resonances and provides a larger number of NMR parameters, which greatly improves the quality of DNA structures. However, there is no general DNA-labeling procedure, like those employed for proteins and RNAs. Here, we describe a general and widely applicable approach designed for preparation of isotopically labeled DNA fragments that can be used for NMR studies. The procedure is based on the PCR amplification of oligonucleotides in the presence of labeled deoxynucleotides triphosphates. It allows great flexibility thanks to insertion of a short DNA sequence (linker) between two repeats of DNA sequence to study. Size and sequence of the linker are designed as to create restriction sites at the junctions with DNA of interest. DNA duplex with desired sequence and size is released upon enzymatic digestion of the PCR product. The suitability of the procedure is validated through the preparation of two biological relevant DNA fragments

  16. A New Ensemble Method with Feature Space Partitioning for High-Dimensional Data Classification

    Directory of Open Access Journals (Sweden)

    Yongjun Piao

    2015-01-01

    Full Text Available Ensemble data mining methods, also known as classifier combination, are often used to improve the performance of classification. Various classifier combination methods such as bagging, boosting, and random forest have been devised and have received considerable attention in the past. However, data dimensionality increases rapidly day by day. Such a trend poses various challenges as these methods are not suitable to directly apply to high-dimensional datasets. In this paper, we propose an ensemble method for classification of high-dimensional data, with each classifier constructed from a different set of features determined by partitioning of redundant features. In our method, the redundancy of features is considered to divide the original feature space. Then, each generated feature subset is trained by a support vector machine, and the results of each classifier are combined by majority voting. The efficiency and effectiveness of our method are demonstrated through comparisons with other ensemble techniques, and the results show that our method outperforms other methods.

  17. A two-dimensional, semi-analytic expansion method for nodal calculations

    International Nuclear Information System (INIS)

    Palmtag, S.P.

    1995-08-01

    Most modern nodal methods used today are based upon the transverse integration procedure in which the multi-dimensional flux shape is integrated over the transverse directions in order to produce a set of coupled one-dimensional flux shapes. The one-dimensional flux shapes are then solved either analytically or by representing the flux shape by a finite polynomial expansion. While these methods have been verified for most light-water reactor applications, they have been found to have difficulty predicting the large thermal flux gradients near the interfaces of highly-enriched MOX fuel assemblies. A new method is presented here in which the neutron flux is represented by a non-seperable, two-dimensional, semi-analytic flux expansion. The main features of this method are (1) the leakage terms from the node are modeled explicitly and therefore, the transverse integration procedure is not used, (2) the corner point flux values for each node are directly edited from the solution method, and a corner-point interpolation is not needed in the flux reconstruction, (3) the thermal flux expansion contains hyperbolic terms representing analytic solutions to the thermal flux diffusion equation, and (4) the thermal flux expansion contains a thermal to fast flux ratio term which reduces the number of polynomial expansion functions needed to represent the thermal flux. This new nodal method has been incorporated into the computer code COLOR2G and has been used to solve a two-dimensional, two-group colorset problem containing uranium and highly-enriched MOX fuel assemblies. The results from this calculation are compared to the results found using a code based on the traditional transverse integration procedure

  18. Repositioning the substrate activity screening (SAS) approach as a fragment-based method for identification of weak binders.

    Science.gov (United States)

    Gladysz, Rafaela; Cleenewerck, Matthias; Joossens, Jurgen; Lambeir, Anne-Marie; Augustyns, Koen; Van der Veken, Pieter

    2014-10-13

    Fragment-based drug discovery (FBDD) has evolved into an established approach for "hit" identification. Typically, most applications of FBDD depend on specialised cost- and time-intensive biophysical techniques. The substrate activity screening (SAS) approach has been proposed as a relatively cheap and straightforward alternative for identification of fragments for enzyme inhibitors. We have investigated SAS for the discovery of inhibitors of oncology target urokinase (uPA). Although our results support the key hypotheses of SAS, we also encountered a number of unreported limitations. In response, we propose an efficient modified methodology: "MSAS" (modified substrate activity screening). MSAS circumvents the limitations of SAS and broadens its scope by providing additional fragments and more coherent SAR data. As well as presenting and validating MSAS, this study expands existing SAR knowledge for the S1 pocket of uPA and reports new reversible and irreversible uPA inhibitor scaffolds. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. 3-Dimensional and Interactive Istanbul University Virtual Laboratory Based on Active Learning Methods

    Science.gov (United States)

    Ince, Elif; Kirbaslar, Fatma Gulay; Yolcu, Ergun; Aslan, Ayse Esra; Kayacan, Zeynep Cigdem; Alkan Olsson, Johanna; Akbasli, Ayse Ceylan; Aytekin, Mesut; Bauer, Thomas; Charalambis, Dimitris; Gunes, Zeliha Ozsoy; Kandemir, Ceyhan; Sari, Umit; Turkoglu, Suleyman; Yaman, Yavuz; Yolcu, Ozgu

    2014-01-01

    The purpose of this study is to develop a 3-dimensional interactive multi-user and multi-admin IUVIRLAB featuring active learning methods and techniques for university students and to introduce the Virtual Laboratory of Istanbul University and to show effects of IUVIRLAB on students' attitudes on communication skills and IUVIRLAB. Although there…

  20. Newton-sor iterative method for solving the two-dimensional porous ...

    African Journals Online (AJOL)

    In this paper, we consider the application of the Newton-SOR iterative method in obtaining the approximate solution of the two-dimensional porous medium equation (2D PME). The nonlinear finite difference approximation equation to the 2D PME is derived by using the implicit finite difference scheme. The developed ...

  1. ANALYSIS OF IMPACT ON COMPOSITE STRUCTURES WITH THE METHOD OF DIMENSIONALITY REDUCTION

    Directory of Open Access Journals (Sweden)

    Valentin L. Popov

    2015-04-01

    Full Text Available In the present paper, we discuss the impact of rigid profiles on continua with non-local criteria for plastic yield. For the important case of media whose hardness is inversely proportional to the indentation radius, we suggest a rigorous treatment based on the method of dimensionality reduction (MDR and study the example of indentation by a conical profile.

  2. A greedy method for reconstructing polycrystals from three-dimensional X-ray diffraction data

    DEFF Research Database (Denmark)

    Kulshreshth, Arun Kumar; Alpers, Andreas; Herman, Gabor T.

    2009-01-01

    An iterative search method is proposed for obtaining orientation maps inside polycrystals from three-dimensional X-ray diffraction (3DXRD) data. In each step, detector pixel intensities are calculated by a forward model based on the current estimate of the orientation map. The pixel at which...

  3. Multisymplectic Structure-Preserving in Simple Finite Element Method in High Dimensional Case

    Institute of Scientific and Technical Information of China (English)

    BAI Yong-Qiang; LIU Zhen; PEI Ming; ZHENG Zhu-Jun

    2003-01-01

    In this paper, we study a finite element scheme of some semi-linear elliptic boundary value problems inhigh-dimensional space. With uniform mesh, we find that, the numerical scheme derived from finite element method cankeep a preserved multisymplectic structure.

  4. Improving the accuracy of CT dimensional metrology by a novel beam hardening correction method

    International Nuclear Information System (INIS)

    Zhang, Xiang; Li, Lei; Zhang, Feng; Xi, Xiaoqi; Deng, Lin; Yan, Bin

    2015-01-01

    Its powerful nondestructive characteristics are attracting more and more research into the study of computed tomography (CT) for dimensional metrology, which offers a practical alternative to the common measurement methods. However, the inaccuracy and uncertainty severely limit the further utilization of CT for dimensional metrology due to many factors, among which the beam hardening (BH) effect plays a vital role. This paper mainly focuses on eliminating the influence of the BH effect in the accuracy of CT dimensional metrology. To correct the BH effect, a novel exponential correction model is proposed. The parameters of the model are determined by minimizing the gray entropy of the reconstructed volume. In order to maintain the consistency and contrast of the corrected volume, a punishment term is added to the cost function, enabling more accurate measurement results to be obtained by the simple global threshold method. The proposed method is efficient, and especially suited to the case where there is a large difference in gray value between material and background. Different spheres with known diameters are used to verify the accuracy of dimensional measurement. Both simulation and real experimental results demonstrate the improvement in measurement precision. Moreover, a more complex workpiece is also tested to show that the proposed method is of general feasibility. (paper)

  5. Two dimensional PMMA nanofluidic device fabricated by hot embossing and oxygen plasma assisted thermal bonding methods

    Science.gov (United States)

    Yin, Zhifu; Sun, Lei; Zou, Helin; Cheng, E.

    2015-05-01

    A method for obtaining a low-cost and high-replication precision two-dimensional (2D) nanofluidic device with a polymethyl methacrylate (PMMA) sheet is proposed. To improve the replication precision of the 2D PMMA nanochannels during the hot embossing process, the deformation of the PMMA sheet was analyzed by a numerical simulation method. The constants of the generalized Maxwell model used in the numerical simulation were calculated by experimental compressive creep curves based on previously established fitting formula. With optimized process parameters, 176 nm-wide and 180 nm-deep nanochannels were successfully replicated into the PMMA sheet with a replication precision of 98.2%. To thermal bond the 2D PMMA nanochannels with high bonding strength and low dimensional loss, the parameters of the oxygen plasma treatment and thermal bonding process were optimized. In order to measure the dimensional loss of 2D nanochannels after thermal bonding, a dimension loss evaluating method based on the nanoindentation experiments was proposed. According to the dimension loss evaluating method, the total dimensional loss of 2D nanochannels was 6 nm and 21 nm in width and depth, respectively. The tensile bonding strength of the 2D PMMA nanofluidic device was 0.57 MPa. The fluorescence images demonstrate that there was no blocking or leakage over the entire microchannels and nanochannels.

  6. Geotechnical applications of a two-dimensional elastodynamic displacement discontinuity method

    CSIR Research Space (South Africa)

    Siebrits, E

    1993-12-01

    Full Text Available A general two-dimensional elastodynamic displacement discontinuity method is used to model a variety of application problems. The plane strain problems are: the elastodynamic motions induced on a cavity by shear slip on a nearby crack; the dynamic...

  7. Variational Homotopy Perturbation Method for Solving Higher Dimensional Initial Boundary Value Problems

    Directory of Open Access Journals (Sweden)

    Muhammad Aslam Noor

    2008-01-01

    Full Text Available We suggest and analyze a technique by combining the variational iteration method and the homotopy perturbation method. This method is called the variational homotopy perturbation method (VHPM. We use this method for solving higher dimensional initial boundary value problems with variable coefficients. The developed algorithm is quite efficient and is practically well suited for use in these problems. The proposed scheme finds the solution without any discritization, transformation, or restrictive assumptions and avoids the round-off errors. Several examples are given to check the reliability and efficiency of the proposed technique.

  8. A new Riccati equation rational expansion method and its application to (2 + 1)-dimensional Burgers equation

    International Nuclear Information System (INIS)

    Wang Qi; Chen Yong; Zhang Hongqing

    2005-01-01

    In this paper, we present a new Riccati equation rational expansion method to uniformly construct a series of exact solutions for nonlinear evolution equations. Compared with most existing tanh methods and other sophisticated methods, the proposed method not only recover some known solutions, but also find some new and general solutions. The solutions obtained in this paper include rational triangular periodic wave solutions, rational solitary wave solutions and rational wave solutions. The efficiency of the method can be demonstrated on (2 + 1)-dimensional Burgers equation

  9. Analysis of Elastic-Plastic J Integrals for 3-Dimensional Cracks Using Finite Element Alternating Method

    International Nuclear Information System (INIS)

    Park, Jai Hak

    2009-01-01

    SGBEM(Symmetric Galerkin Boundary Element Method)-FEM alternating method has been proposed by Nikishkov, Park and Atluri. In the proposed method, arbitrarily shaped three-dimensional crack problems can be solved by alternating between the crack solution in an infinite body and the finite element solution without a crack. In the previous study, the SGBEM-FEM alternating method was extended further in order to solve elastic-plastic crack problems and to obtain elastic-plastic stress fields. For the elastic-plastic analysis the algorithm developed by Nikishkov et al. is used after modification. In the algorithm, the initial stress method is used to obtain elastic-plastic stress and strain fields. In this paper, elastic-plastic J integrals for three-dimensional cracks are obtained using the method. For that purpose, accurate values of displacement gradients and stresses are necessary on an integration path. In order to improve the accuracy of stress near crack surfaces, coordinate transformation and partitioning of integration domain are used. The coordinate transformation produces a transformation Jacobian, which cancels the singularity of the integrand. Using the developed program, simple three-dimensional crack problems are solved and elastic and elastic-plastic J integrals are obtained. The obtained J integrals are compared with the values obtained using a handbook solution. It is noted that J integrals obtained from the alternating method are close to the values from the handbook

  10. Casimir effect in a d-dimensional flat spacetime and the cut-off method

    International Nuclear Information System (INIS)

    Svaiter, N.F.; Svaiter, B.F.

    1989-01-01

    The CasiMir efeect in a D-dimensional spacetime produced by a Hermitian massless scalar field in the presence of a pair of perfectly reflecting parallel flat plates is discussed. The exponential cut-off regularization method is employed. The regularized vacuum energy and the Casimir energy of this field are evaluated and a detailed analysis of the divergent terms in the regularized vacuum energy is carried out. The two-dimensional version of the Casimir effect is discussed by means of the same cut-off method. A comparison between the above method and the zeta function regularization procedure is presented in a way which gives the unification between these two methods in the present case. (author) [pt

  11. Moving Least Squares Method for a One-Dimensional Parabolic Inverse Problem

    Directory of Open Access Journals (Sweden)

    Baiyu Wang

    2014-01-01

    Full Text Available This paper investigates the numerical solution of a class of one-dimensional inverse parabolic problems using the moving least squares approximation; the inverse problem is the determination of an unknown source term depending on time. The collocation method is used for solving the equation; some numerical experiments are presented and discussed to illustrate the stability and high efficiency of the method.

  12. Image-Based Compression Method of Three-Dimensional Range Data with Texture

    OpenAIRE

    Chen, Xia; Bell, Tyler; Zhang, Song

    2017-01-01

    Recently, high speed and high accuracy three-dimensional (3D) scanning techniques and commercially available 3D scanning devices have made real-time 3D shape measurement and reconstruction possible. The conventional mesh representation of 3D geometry, however, results in large file sizes, causing difficulties for its storage and transmission. Methods for compressing scanned 3D data therefore become desired. This paper proposes a novel compression method which stores 3D range data within the c...

  13. Direct Linear System Identification Method for Multistory Three-dimensional Building Structure with General Eccentricity

    OpenAIRE

    Shintani, Kenichirou; Yoshitomi, Shinta; Takewaki, Izuru

    2017-01-01

    A method of physical parameter system identification (SI) is proposed here for three-dimensional (3D) building structures with in-plane rigid floors in which the stiffness and damping coefficients of each structural frame in the 3D building structure are identified from the measured floor horizontal accelerations. A batch processing least-squares estimation method for many discrete time domain measured data is proposed for the direct identification of the stiffness and damping coefficients of...

  14. Asymptotic iteration method solutions to the d-dimensional Schroedinger equation with position-dependent mass

    International Nuclear Information System (INIS)

    Yasuk, F.; Tekin, S.; Boztosun, I.

    2010-01-01

    In this study, the exact solutions of the d-dimensional Schroedinger equation with a position-dependent mass m(r)=1/(1+ζ 2 r 2 ) is presented for a free particle, V(r)=0, by using the method of point canonical transformations. The energy eigenvalues and corresponding wavefunctions for the effective potential which is to be a generalized Poeschl-Teller potential are obtained within the framework of the asymptotic iteration method.

  15. One-Dimensional Finite Elements An Introduction to the FE Method

    CERN Document Server

    Öchsner, Andreas

    2013-01-01

     This textbook presents finite element methods using exclusively  one-dimensional elements. The aim is to present the complex methodology in  an easily understandable but mathematically correct fashion. The approach of  one-dimensional elements enables the reader to focus on the understanding of  the principles of basic and advanced mechanical problems. The reader easily  understands the assumptions and limitations of mechanical modeling as well  as the underlying physics without struggling with complex mathematics. But  although the description is easy it remains scientifically correct.   The approach using only one-dimensional elements covers not only standard  problems but allows also for advanced topics like plasticity or the  mechanics of composite materials. Many examples illustrate the concepts and  problems at the end of every chapter help to familiarize with the topics.

  16. Systems and methods that generate height map models for efficient three dimensional reconstruction from depth information

    Science.gov (United States)

    Frahm, Jan-Michael; Pollefeys, Marc Andre Leon; Gallup, David Robert

    2015-12-08

    Methods of generating a three dimensional representation of an object in a reference plane from a depth map including distances from a reference point to pixels in an image of the object taken from a reference point. Weights are assigned to respective voxels in a three dimensional grid along rays extending from the reference point through the pixels in the image based on the distances in the depth map from the reference point to the respective pixels, and a height map including an array of height values in the reference plane is formed based on the assigned weights. An n-layer height map may be constructed by generating a probabilistic occupancy grid for the voxels and forming an n-dimensional height map comprising an array of layer height values in the reference plane based on the probabilistic occupancy grid.

  17. An axial calculation method for accurate two-dimensional PWR core simulation

    International Nuclear Information System (INIS)

    Grimm, P.

    1985-02-01

    An axial calculation method, which improves the agreement of the multiplication factors determined by two- and three-dimensional PWR neutronic calculations, is presented. The axial buckling is determined at each time point so as to reproduce the increase of the leakage due to the flattening of the axial power distribution and the effect of the axial variation of the group constants of the fuel on the reactivity is taken into account. The results of a test example show that the differences of k-eff and cycle length between two- and three-dimensional calculations, which are unsatisfactorily large if a constant buckling is used, become negligible if the results of the axial calculation are used in the two-dimensional core simulation. (Auth.)

  18. A high-speed computerized tomography image reconstruction using direct two-dimensional Fourier transform method

    International Nuclear Information System (INIS)

    Niki, Noboru; Mizutani, Toshio; Takahashi, Yoshizo; Inouye, Tamon.

    1983-01-01

    The nescessity for developing real-time computerized tomography (CT) aiming at the dynamic observation of organs such as hearts has lately been advocated. It is necessary for its realization to reconstruct the images which are markedly faster than present CTs. Although various reconstructing methods have been proposed so far, the method practically employed at present is the filtered backprojection (FBP) method only, which can give high quality image reconstruction, but takes much computing time. In the past, the two-dimensional Fourier transform (TFT) method was regarded as unsuitable to practical use because the quality of images obtained was not good, in spite of the promising method for high speed reconstruction because of its less computing time. However, since it was revealed that the image quality by TFT method depended greatly on interpolation accuracy in two-dimensional Fourier space, the authors have developed a high-speed calculation algorithm that can obtain high quality images by pursuing the relationship between the image quality and the interpolation method. In this case, radial data sampling points in Fourier space are increased to β-th power of 2 times, and the linear or spline interpolation is used. Comparison of this method with the present FBP method resulted in the conclusion that the image quality is almost the same in practical image matrix, the computational time by TFT method becomes about 1/10 of FBP method, and the memory capacity also reduces by about 20 %. (Wakatsuki, Y.)

  19. Framing Fragmentation

    DEFF Research Database (Denmark)

    Bundgaard, Charlotte

    2009-01-01

    Contemporary industrialized architecture based on advanced information technology and highly technological production processes, implies a radically different approach to architecture than what we have experienced in the past. Works of architecture composed of prefabricated building components......, contain distinctive architectural traits, not only based on rational repetition, but also supporting composition and montage as dynamic concepts. Prefab architecture is an architecture of fragmentation, individualization and changeability, and this sets up new challenges for the architect. This paper...... tries to develop a strategy for the architect dealing with industrially based architecture; a strategy which exploits architectural potentials in industrial building, which recognizes the rules of mass production and which redefines the architect’s position among the agents of building. If recent...

  20. Modified Splitting FDTD Methods for Two-Dimensional Maxwell’s Equations

    Directory of Open Access Journals (Sweden)

    Liping Gao

    2017-01-01

    Full Text Available In this paper, we develop a new method to reduce the error in the splitting finite-difference method of Maxwell’s equations. By this method two modified splitting FDTD methods (MS-FDTDI, MS-FDTDII for the two-dimensional Maxwell equations are proposed. It is shown that the two methods are second-order accurate in time and space and unconditionally stable by Fourier methods. By energy method, it is proved that MS-FDTDI is second-order convergent. By deriving the numerical dispersion (ND relations, we prove rigorously that MS-FDTDI has less ND errors than the ADI-FDTD method and the ND errors of ADI-FDTD are less than those of MS-FDTDII. Numerical experiments for computing ND errors and simulating a wave guide problem and a scattering problem are carried out and the efficiency of the MS-FDTDI and MS-FDTDII methods is confirmed.

  1. Two-dimensional differential transform method for solving linear and non-linear Schroedinger equations

    International Nuclear Information System (INIS)

    Ravi Kanth, A.S.V.; Aruna, K.

    2009-01-01

    In this paper, we propose a reliable algorithm to develop exact and approximate solutions for the linear and nonlinear Schroedinger equations. The approach rest mainly on two-dimensional differential transform method which is one of the approximate methods. The method can easily be applied to many linear and nonlinear problems and is capable of reducing the size of computational work. Exact solutions can also be achieved by the known forms of the series solutions. Several illustrative examples are given to demonstrate the effectiveness of the present method.

  2. Development of a three dimensional circulation model based on fractional step method

    Directory of Open Access Journals (Sweden)

    Mazen Abualtayef

    2010-03-01

    Full Text Available A numerical model was developed for simulating a three-dimensional multilayer hydrodynamic and thermodynamic model in domains with irregular bottom topography. The model was designed for examining the interactions between flow and topography. The model was based on the three-dimensional Navier-Stokes equations and was solved using the fractional step method, which combines the finite difference method in the horizontal plane and the finite element method in the vertical plane. The numerical techniques were described and the model test and application were presented. For the model application to the northern part of Ariake Sea, the hydrodynamic and thermodynamic results were predicted. The numerically predicted amplitudes and phase angles were well consistent with the field observations.

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

    Science.gov (United States)

    Nagaoka, Tomoaki; Watanabe, Soichi

    2011-01-01

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

  4. Comparison of preconditioned generalized conjugate gradient methods to two-dimensional neutron and photon transport equation

    International Nuclear Information System (INIS)

    Chen, G.S.

    1997-01-01

    We apply and compare the preconditioned generalized conjugate gradient methods to solve the linear system equation that arises in the two-dimensional neutron and photon transport equation in this paper. Several subroutines are developed on the basis of preconditioned generalized conjugate gradient methods for time-independent, two-dimensional neutron and photon transport equation in the transport theory. These generalized conjugate gradient methods are used. TFQMR (transpose free quasi-minimal residual algorithm), CGS (conjuage gradient square algorithm), Bi-CGSTAB (bi-conjugate gradient stabilized algorithm) and QMRCGSTAB (quasi-minimal residual variant of bi-conjugate gradient stabilized algorithm). These sub-routines are connected to computer program DORT. Several problems are tested on a personal computer with Intel Pentium CPU. (author)

  5. Three-dimensional forward modeling of DC resistivity using the aggregation-based algebraic multigrid method

    Science.gov (United States)

    Chen, Hui; Deng, Ju-Zhi; Yin, Min; Yin, Chang-Chun; Tang, Wen-Wu

    2017-03-01

    To speed up three-dimensional (3D) DC resistivity modeling, we present a new multigrid method, the aggregation-based algebraic multigrid method (AGMG). We first discretize the differential equation of the secondary potential field with mixed boundary conditions by using a seven-point finite-difference method to obtain a large sparse system of linear equations. Then, we introduce the theory behind the pairwise aggregation algorithms for AGMG and use the conjugate-gradient method with the V-cycle AGMG preconditioner (AGMG-CG) to solve the linear equations. We use typical geoelectrical models to test the proposed AGMG-CG method and compare the results with analytical solutions and the 3DDCXH algorithm for 3D DC modeling (3DDCXH). In addition, we apply the AGMG-CG method to different grid sizes and geoelectrical models and compare it to different iterative methods, such as ILU-BICGSTAB, ILU-GCR, and SSOR-CG. The AGMG-CG method yields nearly linearly decreasing errors, whereas the number of iterations increases slowly with increasing grid size. The AGMG-CG method is precise and converges fast, and thus can improve the computational efficiency in forward modeling of three-dimensional DC resistivity.

  6. A Comparison of Machine Learning Methods in a High-Dimensional Classification Problem

    Directory of Open Access Journals (Sweden)

    Zekić-Sušac Marijana

    2014-09-01

    Full Text Available Background: Large-dimensional data modelling often relies on variable reduction methods in the pre-processing and in the post-processing stage. However, such a reduction usually provides less information and yields a lower accuracy of the model. Objectives: The aim of this paper is to assess the high-dimensional classification problem of recognizing entrepreneurial intentions of students by machine learning methods. Methods/Approach: Four methods were tested: artificial neural networks, CART classification trees, support vector machines, and k-nearest neighbour on the same dataset in order to compare their efficiency in the sense of classification accuracy. The performance of each method was compared on ten subsamples in a 10-fold cross-validation procedure in order to assess computing sensitivity and specificity of each model. Results: The artificial neural network model based on multilayer perceptron yielded a higher classification rate than the models produced by other methods. The pairwise t-test showed a statistical significance between the artificial neural network and the k-nearest neighbour model, while the difference among other methods was not statistically significant. Conclusions: Tested machine learning methods are able to learn fast and achieve high classification accuracy. However, further advancement can be assured by testing a few additional methodological refinements in machine learning methods.

  7. Upscaling permeability for three-dimensional fractured porous rocks with the multiple boundary method

    Science.gov (United States)

    Chen, Tao; Clauser, Christoph; Marquart, Gabriele; Willbrand, Karen; Hiller, Thomas

    2018-02-01

    Upscaling permeability of grid blocks is crucial for groundwater models. A novel upscaling method for three-dimensional fractured porous rocks is presented. The objective of the study was to compare this method with the commonly used Oda upscaling method and the volume averaging method. First, the multiple boundary method and its computational framework were defined for three-dimensional stochastic fracture networks. Then, the different upscaling methods were compared for a set of rotated fractures, for tortuous fractures, and for two discrete fracture networks. The results computed by the multiple boundary method are comparable with those of the other two methods and fit best the analytical solution for a set of rotated fractures. The errors in flow rate of the equivalent fracture model decrease when using the multiple boundary method. Furthermore, the errors of the equivalent fracture models increase from well-connected fracture networks to poorly connected ones. Finally, the diagonal components of the equivalent permeability tensors tend to follow a normal or log-normal distribution for the well-connected fracture network model with infinite fracture size. By contrast, they exhibit a power-law distribution for the poorly connected fracture network with multiple scale fractures. The study demonstrates the accuracy and the flexibility of the multiple boundary upscaling concept. This makes it attractive for being incorporated into any existing flow-based upscaling procedures, which helps in reducing the uncertainty of groundwater models.

  8. The equivalence of information-theoretic and likelihood-based methods for neural dimensionality reduction.

    Directory of Open Access Journals (Sweden)

    Ross S Williamson

    2015-04-01

    Full Text Available Stimulus dimensionality-reduction methods in neuroscience seek to identify a low-dimensional space of stimulus features that affect a neuron's probability of spiking. One popular method, known as maximally informative dimensions (MID, uses an information-theoretic quantity known as "single-spike information" to identify this space. Here we examine MID from a model-based perspective. We show that MID is a maximum-likelihood estimator for the parameters of a linear-nonlinear-Poisson (LNP model, and that the empirical single-spike information corresponds to the normalized log-likelihood under a Poisson model. This equivalence implies that MID does not necessarily find maximally informative stimulus dimensions when spiking is not well described as Poisson. We provide several examples to illustrate this shortcoming, and derive a lower bound on the information lost when spiking is Bernoulli in discrete time bins. To overcome this limitation, we introduce model-based dimensionality reduction methods for neurons with non-Poisson firing statistics, and show that they can be framed equivalently in likelihood-based or information-theoretic terms. Finally, we show how to overcome practical limitations on the number of stimulus dimensions that MID can estimate by constraining the form of the non-parametric nonlinearity in an LNP model. We illustrate these methods with simulations and data from primate visual cortex.

  9. Advanced numerical methods for three dimensional two-phase flow calculations

    Energy Technology Data Exchange (ETDEWEB)

    Toumi, I. [Laboratoire d`Etudes Thermiques des Reacteurs, Gif sur Yvette (France); Caruge, D. [Institut de Protection et de Surete Nucleaire, Fontenay aux Roses (France)

    1997-07-01

    This paper is devoted to new numerical methods developed for both one and three dimensional two-phase flow calculations. These methods are finite volume numerical methods and are based on the use of Approximate Riemann Solvers concepts to define convective fluxes versus mean cell quantities. The first part of the paper presents the numerical method for a one dimensional hyperbolic two-fluid model including differential terms as added mass and interface pressure. This numerical solution scheme makes use of the Riemann problem solution to define backward and forward differencing to approximate spatial derivatives. The construction of this approximate Riemann solver uses an extension of Roe`s method that has been successfully used to solve gas dynamic equations. As far as the two-fluid model is hyperbolic, this numerical method seems very efficient for the numerical solution of two-phase flow problems. The scheme was applied both to shock tube problems and to standard tests for two-fluid computer codes. The second part describes the numerical method in the three dimensional case. The authors discuss also some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. Such a scheme is not implemented in a thermal-hydraulic computer code devoted to 3-D steady-state and transient computations. Some results obtained for Pressurised Water Reactors concerning upper plenum calculations and a steady state flow in the core with rod bow effect evaluation are presented. In practice these new numerical methods have proved to be stable on non staggered grids and capable of generating accurate non oscillating solutions for two-phase flow calculations.

  10. Advanced numerical methods for three dimensional two-phase flow calculations

    International Nuclear Information System (INIS)

    Toumi, I.; Caruge, D.

    1997-01-01

    This paper is devoted to new numerical methods developed for both one and three dimensional two-phase flow calculations. These methods are finite volume numerical methods and are based on the use of Approximate Riemann Solvers concepts to define convective fluxes versus mean cell quantities. The first part of the paper presents the numerical method for a one dimensional hyperbolic two-fluid model including differential terms as added mass and interface pressure. This numerical solution scheme makes use of the Riemann problem solution to define backward and forward differencing to approximate spatial derivatives. The construction of this approximate Riemann solver uses an extension of Roe's method that has been successfully used to solve gas dynamic equations. As far as the two-fluid model is hyperbolic, this numerical method seems very efficient for the numerical solution of two-phase flow problems. The scheme was applied both to shock tube problems and to standard tests for two-fluid computer codes. The second part describes the numerical method in the three dimensional case. The authors discuss also some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. Such a scheme is not implemented in a thermal-hydraulic computer code devoted to 3-D steady-state and transient computations. Some results obtained for Pressurised Water Reactors concerning upper plenum calculations and a steady state flow in the core with rod bow effect evaluation are presented. In practice these new numerical methods have proved to be stable on non staggered grids and capable of generating accurate non oscillating solutions for two-phase flow calculations

  11. Two-Dimensional Space-Time Dependent Multi-group Diffusion Equation with SLOR Method

    International Nuclear Information System (INIS)

    Yulianti, Y.; Su'ud, Z.; Waris, A.; Khotimah, S. N.

    2010-01-01

    The research of two-dimensional space-time diffusion equations with SLOR (Successive-Line Over Relaxation) has been done. SLOR method is chosen because this method is one of iterative methods that does not required to defined whole element matrix. The research is divided in two cases, homogeneous case and heterogeneous case. Homogeneous case has been inserted by step reactivity. Heterogeneous case has been inserted by step reactivity and ramp reactivity. In general, the results of simulations are agreement, even in some points there are differences.

  12. Application of the Green's function method for 2- and 3-dimensional steady transonic flows

    Science.gov (United States)

    Tseng, K.

    1984-01-01

    A Time-Domain Green's function method for the nonlinear time-dependent three-dimensional aerodynamic potential equation is presented. The Green's theorem is being used to transform the partial differential equation into an integro-differential-delay equation. Finite-element and finite-difference methods are employed for the spatial and time discretizations to approximate the integral equation by a system of differential-delay equations. Solution may be obtained by solving for this nonlinear simultaneous system of equations in time. This paper discusses the application of the method to the Transonic Small Disturbance Equation and numerical results for lifting and nonlifting airfoils and wings in steady flows are presented.

  13. Two-dimensional parasitic capacitance extraction for integrated circuit with dual discrete geometric methods

    International Nuclear Information System (INIS)

    Ren Dan; Ren Zhuoxiang; Qu Hui; Xu Xiaoyu

    2015-01-01

    Capacitance extraction is one of the key issues in integrated circuits and also a typical electrostatic problem. The dual discrete geometric method (DGM) is investigated to provide relative solutions in two-dimensional unstructured mesh space. The energy complementary characteristic and quick field energy computation thereof based on it are emphasized. Contrastive analysis between the dual finite element methods and the dual DGMs are presented both from theoretical derivation and through case studies. The DGM, taking the scalar potential as unknown on dual interlocked meshes, with simple form and good accuracy, is expected to be one of the mainstreaming methods in associated areas. (paper)

  14. Three-Dimensional Phase Field Simulations of Hysteresis and Butterfly Loops by the Finite Volume Method

    International Nuclear Information System (INIS)

    Xi Li-Ying; Chen Huan-Ming; Zheng Fu; Gao Hua; Tong Yang; Ma Zhi

    2015-01-01

    Three-dimensional simulations of ferroelectric hysteresis and butterfly loops are carried out based on solving the time dependent Ginzburg–Landau equations using a finite volume method. The influence of externally mechanical loadings with a tensile strain and a compressive strain on the hysteresis and butterfly loops is studied numerically. Different from the traditional finite element and finite difference methods, the finite volume method is applicable to simulate the ferroelectric phase transitions and properties of ferroelectric materials even for more realistic and physical problems. (paper)

  15. An improved method for computer generation of three-dimensional digital holography

    International Nuclear Information System (INIS)

    Hu, Yanlei; Chen, Yuhang; Li, Jiawen; Huang, Wenhao; Chu, Jiaru; Ma, Jianqiang

    2013-01-01

    A novel method is proposed for designing optimized three-dimensional computer-generated holograms (CGHs). A series of spherical wave factors are introduced into the conventional optimal rotation angle (ORA) algorithm to achieve a varying amount of defocus along the optical axis, and the distraction terms are minimized during the iterative process. Both numerical simulation and experimental reconstructions are presented to demonstrate that this method is able to yield excellent multilayer patterns with high uniformity and signal-to-noise ratio (SNR). This method is significant for applications in laser 3D printing and multilayer data recording. (paper)

  16. A new method for three-dimensional laparoscopic ultrasound model reconstruction

    DEFF Research Database (Denmark)

    Fristrup, C W; Pless, T; Durup, J

    2004-01-01

    BACKGROUND: Laparoscopic ultrasound is an important modality in the staging of gastrointestinal tumors. Correct staging depends on good spatial understanding of the regional tumor infiltration. Three-dimensional (3D) models may facilitate the evaluation of tumor infiltration. The aim of the study...... accuracy of the new method was tested ex vivo, and the clinical feasibility was tested on a small series of patients. RESULTS: Both electromagnetic tracked reconstructions and the new 3D method gave good volumetric information with no significant difference. Clinical use of the new 3D method showed...

  17. The discrete cones method for two-dimensional neutron transport calculations

    International Nuclear Information System (INIS)

    Watanabe, Y.; Maynard, C.W.

    1986-01-01

    A novel method, the discrete cones method (DC/sub N/), is proposed as an alternative to the discrete ordinates method (S/sub N/) for solutions of the two-dimensional neutron transport equation. The new method utilizes a new concept, discrete cones, which are made by partitioning a unit spherical surface that the direction vector of particles covers. In this method particles in a cone are simultaneously traced instead of those in discrete directions so that an anomaly of the S/sub N/ method, the ray effects, can be eliminated. The DC/sub N/ method has been formulated for X-Y geometry and a program has been creaed by modifying the standard S/sub N/ program TWOTRAN-II. Our sample calculations demonstrate a strong mitigation of the ray effects without a computing cost penalty

  18. The discrete cones methods for two-dimensional neutral particle transport problems with voids

    International Nuclear Information System (INIS)

    Watanabe, Y.; Maynard, C.W.

    1983-01-01

    One of the most widely applied deterministic methods for time-independent, two-dimensional neutron transport calculations is the discrete ordinates method (DSN). The DSN solution, however, fails to be accurate in a void due to the ray effect. In order to circumvent this drawback, the authors have been developing a novel approximation: the discrete cones method (DCN), where a group of particles in a cone are simultaneously traced instead of particles in discrete directions for the DSN method. Programs, which apply to the DSN method in a non-vacuum region and the DCN method in a void, have been written for transport calculations in X-Y coordinates. The solutions for test problems demonstrate mitigation of the ray effect in voids without loosing the computational efficiency of the DSN method

  19. Method for the manufacture of a thin-layer battery stack on a three-dimensional substrate

    NARCIS (Netherlands)

    2008-01-01

    The invention relates to a method for the manufacture of a thin-layer battery stack on a three-dimensional substrate. The invention further relates to a thin-layer battery stack on a three-dimensional substrate obtainable by such a method. Moreover, the invention relates to a device comprising such

  20. Development of the method for the dimensional measurement of the HANARO nuclear fuel

    International Nuclear Information System (INIS)

    Kim, Tae Yeon; Lee, K. S.; Park, D. G.; Choo, Y. S.; Ahn, S. B.

    1998-06-01

    Dimension of the nuclear fuel is altered in nuclear reactor because of the neutron exposure with high pressure water. If the deformation is overlarge, the severe problem in safety of the nuclear fuel and the reactor come about. Therefore the accurate dimensional data of the nuclear fuel in diameter and length is very important for the design of the nuclear fuel and the estimation of the nuclear safety. Measurement of diameter for the dummy HANARO fuel rod which has not filled with real fuel material was carried out in hot cell. And also the length of the HANARO fuel assembly and the rod are measured. Dimensional measuring method for the HANARO fuel was developed. The test result show our method is good enough to distinguish change in volume with statistical uncertainty of 0.6 %. (author). 2 refs., 7 tabs., 20 figs

  1. Moment-based method for computing the two-dimensional discrete Hartley transform

    Science.gov (United States)

    Dong, Zhifang; Wu, Jiasong; Shu, Huazhong

    2009-10-01

    In this paper, we present a fast algorithm for computing the two-dimensional (2-D) discrete Hartley transform (DHT). By using kernel transform and Taylor expansion, the 2-D DHT is approximated by a linear sum of 2-D geometric moments. This enables us to use the fast algorithms developed for computing the 2-D moments to efficiently calculate the 2-D DHT. The proposed method achieves a simple computational structure and is suitable to deal with any sequence lengths.

  2. Optimal Layout Design using the Element Connectivity Parameterization Method: Application to Three Dimensional Geometrical Nonlinear Structures

    DEFF Research Database (Denmark)

    Yoon, Gil Ho; Joung, Young Soo; Kim, Yoon Young

    2005-01-01

    The topology design optimization of “three-dimensional geometrically-nonlinear” continuum structures is still a difficult problem not only because of its problem size but also the occurrence of unstable continuum finite elements during the design optimization. To overcome this difficulty, the ele......) stiffness matrix of continuum finite elements. Therefore, any finite element code, including commercial codes, can be readily used for the ECP implementation. The key ideas and characteristics of these methods will be presented in this paper....

  3. Soliton solutions of the two-dimensional KdV-Burgers equation by homotopy perturbation method

    International Nuclear Information System (INIS)

    Molabahrami, A.; Khani, F.; Hamedi-Nezhad, S.

    2007-01-01

    In this Letter, the He's homotopy perturbation method (HPM) to finding the soliton solutions of the two-dimensional Korteweg-de Vries Burgers' equation (tdKdVB) for the initial conditions was applied. Numerical solutions of the equation were obtained. The obtained solutions, in comparison with the exact solutions admit a remarkable accuracy. The results reveal that the HPM is very effective and simple

  4. Can We Train Machine Learning Methods to Outperform the High-dimensional Propensity Score Algorithm?

    Science.gov (United States)

    Karim, Mohammad Ehsanul; Pang, Menglan; Platt, Robert W

    2018-03-01

    The use of retrospective health care claims datasets is frequently criticized for the lack of complete information on potential confounders. Utilizing patient's health status-related information from claims datasets as surrogates or proxies for mismeasured and unobserved confounders, the high-dimensional propensity score algorithm enables us to reduce bias. Using a previously published cohort study of postmyocardial infarction statin use (1998-2012), we compare the performance of the algorithm with a number of popular machine learning approaches for confounder selection in high-dimensional covariate spaces: random forest, least absolute shrinkage and selection operator, and elastic net. Our results suggest that, when the data analysis is done with epidemiologic principles in mind, machine learning methods perform as well as the high-dimensional propensity score algorithm. Using a plasmode framework that mimicked the empirical data, we also showed that a hybrid of machine learning and high-dimensional propensity score algorithms generally perform slightly better than both in terms of mean squared error, when a bias-based analysis is used.

  5. Brooks–Corey Modeling by One-Dimensional Vertical Infiltration Method

    Directory of Open Access Journals (Sweden)

    Xuguang Xing

    2018-05-01

    Full Text Available The laboratory methods used for the soil water retention curve (SWRC construction and parameter estimation is time-consuming. A vertical infiltration method was proposed to estimate parameters α and n and to further construct the SWRC. In the present study, the relationships describing the cumulative infiltration and infiltration rate with the depth of the wetting front were established, and simplified expressions for estimating α and n parameters were proposed. The one-dimensional vertical infiltration experiments of four soils were conducted to verify if the proposed method would accurately estimate α and n. The fitted values of α and n, obtained from the RETC software, were consistent with the calculated values obtained from the infiltration method. The comparison between the measured SWRCs obtained from the centrifuge method and the calculated SWRCs that were based on the infiltration method displayed small values of root mean square error (RMSE, mean absolute percentage error (MAPE, and mean absolute error. SWMS_2D-based simulations of cumulative infiltration, based on the calculated α and n, remained consistent with the measured values due to small RMSE and MAPE values. The experiments verified the proposed one-dimensional vertical infiltration method, which has applications in field hydraulic parameter estimation.

  6. Advanced numerical methods for three dimensional two-phase flow calculations in PWR

    International Nuclear Information System (INIS)

    Toumi, I.; Gallo, D.; Royer, E.

    1997-01-01

    This paper is devoted to new numerical methods developed for three dimensional two-phase flow calculations. These methods are finite volume numerical methods. They are based on an extension of Roe's approximate Riemann solver to define convective fluxes versus mean cell quantities. To go forward in time, a linearized conservative implicit integrating step is used, together with a Newton iterative method. We also present here some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. This kind of numerical method, which is widely used for fluid dynamic calculations, is proved to be very efficient for the numerical solution to two-phase flow problems. This numerical method has been implemented for the three dimensional thermal-hydraulic code FLICA-4 which is mainly dedicated to core thermal-hydraulic transient and steady-state analysis. Hereafter, we will also find some results obtained for the EPR reactor running in a steady-state at 60% of nominal power with 3 pumps out of 4, and a thermal-hydraulic core analysis for a 1300 MW PWR at low flow steam-line-break conditions. (author)

  7. High-speed fan-beam reconstruction using direct two-dimensional Fourier transform method

    International Nuclear Information System (INIS)

    Niki, Noboru; Mizutani, Toshio; Takahashi, Yoshizo; Inouye, Tamon.

    1984-01-01

    Since the first development of X-ray computer tomography (CT), various efforts have been made to obtain high quality of high-speed image. However, the development of high resolution CT and the ultra-high speed CT to be applied to hearts is still desired. The X-ray beam scanning method was already changed from the parallel beam system to the fan-beam system in order to greatly shorten the scanning time. Also, the filtered back projection (DFBP) method has been employed to directly processing fan-beam projection data as reconstruction method. Although the two-dimensional Fourier transform (TFT) method significantly faster than FBP method was proposed, it has not been sufficiently examined for fan-beam projection data. Thus, the ITFT method was investigated, which first executes rebinning algorithm to convert the fan-beam projection data to the parallel beam projection data, thereafter, uses two-dimensional Fourier transform. By this method, although high speed is expected, the reconstructed images might be degraded due to the adoption of rebinning algorithm. Therefore, the effect of the interpolation error of rebinning algorithm on the reconstructed images has been analyzed theoretically, and finally, the result of the employment of spline interpolation which allows the acquisition of high quality images with less errors has been shown by the numerical and visual evaluation based on simulation and actual data. Computation time was reduced to 1/15 for the image matrix of 512 and to 1/30 for doubled matrix. (Wakatsuki, Y.)

  8. Fragment-based drug discovery using rational design.

    Science.gov (United States)

    Jhoti, H

    2007-01-01

    Fragment-based drug discovery (FBDD) is established as an alternative approach to high-throughput screening for generating novel small molecule drug candidates. In FBDD, relatively small libraries of low molecular weight compounds (or fragments) are screened using sensitive biophysical techniques to detect their binding to the target protein. A lower absolute affinity of binding is expected from fragments, compared to much higher molecular weight hits detected by high-throughput screening, due to their reduced size and complexity. Through the use of iterative cycles of medicinal chemistry, ideally guided by three-dimensional structural data, it is often then relatively straightforward to optimize these weak binding fragment hits into potent and selective lead compounds. As with most other lead discovery methods there are two key components of FBDD; the detection technology and the compound library. In this review I outline the two main approaches used for detecting the binding of low affinity fragments and also some of the key principles that are used to generate a fragment library. In addition, I describe an example of how FBDD has led to the generation of a drug candidate that is now being tested in clinical trials for the treatment of cancer.

  9. Measurement of cardiac ventricular volumes using multidetector row computed tomography: comparison of two- and three-dimensional methods

    International Nuclear Information System (INIS)

    Montaudon, M.; Laffon, E.; Berger, P.; Corneloup, O.; Latrabe, V.; Laurent, F.

    2006-01-01

    This study compared a three-dimensional volumetric threshold-based method to a two-dimensional Simpson's rule based short-axis multiplanar method for measuring right (RV) and left ventricular (LV) volumes, stroke volumes, and ejection fraction using electrocardiography-gated multidetector computed tomography (MDCT) data sets. End-diastolic volume (EDV) and end-systolic volume (ESV) of RV and LV were measured independently and blindly by two observers from contrast-enhanced MDCT images using commercial software in 18 patients. For RV and LV the three-dimensionally calculated EDV and ESV values were smaller than those provided by two-dimensional short axis (10%, 5%, 15% and 26% differences respectively). Agreement between the two methods was found for LV (EDV/ESV: r=0.974/0.910, ICC=0.905/0.890) but not for RV (r=0.882/0.930, ICC=0.663/0.544). Measurement errors were significant only for EDV of LV using the two-dimensional method. Similar reproducibility was found for LV measurements, but the three-dimensional method provided greater reproducibility for RV measurements than the two-dimensional. The threshold value supported three-dimensional method provides reproducible cardiac ventricular volume measurements, comparable to those obtained using the short-axis Simpson based method. (orig.)

  10. Fragmentation of rotating protostellar clouds

    International Nuclear Information System (INIS)

    Tohline, J.E.

    1980-01-01

    We examine, with a three-dimensional hydrodynamic computer code, the behavior of rotating, isothermal gas clouds as they collapse from Jeans unstable configurations, in order to determine whether they are susceptible to fragmentation during the initial dynamic collapse phase of their evolution. We find that a gas cloud will not fragment unless (a) it begins collapsing from a radius much smaller than the Jeans radius (i.e., the cloud initially encloses many Jeans masses) and (b) irregularities in the cloud's initial structure (specifically, density inhomogeneities) enclose more than one Jeans mass of material. Gas pressure smooths out features that are not initially Jeans unstable while rotation plays no direct role in damping inhomogeneities. Instead of fragmenting, most of our models collapse to a ring configuration (as has been observed by other investigators in two-dimensional, axisymmetric models). The rings appear to be less susceptible to gragmentation from arbitrary perturbations in their structure than has previously been indicated in other work. Because our models, which include the effects of gas pressure, do not readily fragment during a phase of dynamic collapse, we suggest that gas clouds in the galactic disk undergo fragmentation only during quasi-equilibrium phases of their evolution

  11. Modulating functions-based method for parameters and source estimation in one-dimensional partial differential equations

    KAUST Repository

    Asiri, Sharefa M.; Laleg-Kirati, Taous-Meriem

    2016-01-01

    In this paper, modulating functions-based method is proposed for estimating space–time-dependent unknowns in one-dimensional partial differential equations. The proposed method simplifies the problem into a system of algebraic equations linear

  12. Simulation of Thermal Stratification in BWR Suppression Pools with One Dimensional Modeling Method

    Energy Technology Data Exchange (ETDEWEB)

    Haihua Zhao; Ling Zou; Hongbin Zhang

    2014-01-01

    The suppression pool in a boiling water reactor (BWR) plant not only is the major heat sink within the containment system, but also provides the major emergency cooling water for the reactor core. In several accident scenarios, such as a loss-of-coolant accident and extended station blackout, thermal stratification tends to form in the pool after the initial rapid venting stage. Accurately predicting the pool stratification phenomenon is important because it affects the peak containment pressure; the pool temperature distribution also affects the NPSHa (available net positive suction head) and therefore the performance of the Emergency Core Cooling System and Reactor Core Isolation Cooling System pumps that draw cooling water back to the core. Current safety analysis codes use zero dimensional (0-D) lumped parameter models to calculate the energy and mass balance in the pool; therefore, they have large uncertainties in the prediction of scenarios in which stratification and mixing are important. While three-dimensional (3-D) computational fluid dynamics (CFD) methods can be used to analyze realistic 3-D configurations, these methods normally require very fine grid resolution to resolve thin substructures such as jets and wall boundaries, resulting in a long simulation time. For mixing in stably stratified large enclosures, the BMIX++ code (Berkeley mechanistic MIXing code in C++) has been developed to implement a highly efficient analysis method for stratification where the ambient fluid volume is represented by one-dimensional (1-D) transient partial differential equations and substructures (such as free or wall jets) are modeled with 1-D integral models. This allows very large reductions in computational effort compared to multi-dimensional CFD modeling. One heat-up experiment performed at the Finland POOLEX facility, which was designed to study phenomena relevant to Nordic design BWR suppression pool including thermal stratification and mixing, is used for

  13. A measure of the interfacial shear strength between SiC(CVD)/B(CVD) filament--aluminum matrix by fragmentation method

    International Nuclear Information System (INIS)

    Jiang, Y.Q.; Chen, X.J.; Yang, D.M.; Fei, X.; Pan, J.

    1993-01-01

    The tensile specimens used are of dog-bone shape and consist of single axial SiC (CVD) /B (CVD) filament processed by CVD and embedded in a LD-2 aluminum alloy. Model composite specimens have been fabricated by a high pressure squeeze casting technique. This paper describes the application of an Acoustic Emission Technique for locating the position of fiber breaks and thus determining the length distribution of fiber fragments resulting when a composite specimen containing a single fiber is loaded to failure. The critical lengths (minimal lengths) are checked by Corrosion Method

  14. Sensor assembly method using silicon interposer with trenches for three-dimensional binocular range sensors

    Science.gov (United States)

    Nakajima, Kazuhiro; Yamamoto, Yuji; Arima, Yutaka

    2018-04-01

    To easily assemble a three-dimensional binocular range sensor, we devised an alignment method for two image sensors using a silicon interposer with trenches. The trenches were formed using deep reactive ion etching (RIE) equipment. We produced a three-dimensional (3D) range sensor using the method and experimentally confirmed that sufficient alignment accuracy was realized. It was confirmed that the alignment accuracy of the two image sensors when using the proposed method is more than twice that of the alignment assembly method on a conventional board. In addition, as a result of evaluating the deterioration of the detection performance caused by the alignment accuracy, it was confirmed that the vertical deviation between the corresponding pixels in the two image sensors is substantially proportional to the decrease in detection performance. Therefore, we confirmed that the proposed method can realize more than twice the detection performance of the conventional method. Through these evaluations, the effectiveness of the 3D binocular range sensor aligned by the silicon interposer with the trenches was confirmed.

  15. Mycobacterium avium restriction fragment lenght polymorphism-IS IS1245 and the simple double repetitive element polymerase chain reaction typing method to screen genetic diversity in Brazilian strains

    Directory of Open Access Journals (Sweden)

    Patrícia Carvalho de Sequeira

    2005-11-01

    Full Text Available Simple double repetitive element polymerase chain reaction (MaDRE-PCR and Pvu II-IS1245 restriction fragment length polymorphism (RFLP typing methods were used to type 41 Mycobacterium avium isolates obtained from 14 Aids inpatients and 10 environment and animals specimens identified among 53 mycobacteria isolated from 237 food, chicken, and pig. All environmental and animals strains showed orphan patterns by both methods. By MaDRE-PCR four patients, with multiple isolates, showed different patterns, suggesting polyclonal infection that was confirmed by RFLP in two of them. This first evaluation of MaDRE-PCR on Brazilian M. avium strains demonstrated that the method seems to be useful as simple and less expensive typing method for screening genetic diversity in M. avium strains on selected epidemiological studies, although with limitation on analysis identical patterns except for one band.

  16. Kernel based methods for accelerated failure time model with ultra-high dimensional data

    Directory of Open Access Journals (Sweden)

    Jiang Feng

    2010-12-01

    Full Text Available Abstract Background Most genomic data have ultra-high dimensions with more than 10,000 genes (probes. Regularization methods with L1 and Lp penalty have been extensively studied in survival analysis with high-dimensional genomic data. However, when the sample size n ≪ m (the number of genes, directly identifying a small subset of genes from ultra-high (m > 10, 000 dimensional data is time-consuming and not computationally efficient. In current microarray analysis, what people really do is select a couple of thousands (or hundreds of genes using univariate analysis or statistical tests, and then apply the LASSO-type penalty to further reduce the number of disease associated genes. This two-step procedure may introduce bias and inaccuracy and lead us to miss biologically important genes. Results The accelerated failure time (AFT model is a linear regression model and a useful alternative to the Cox model for survival analysis. In this paper, we propose a nonlinear kernel based AFT model and an efficient variable selection method with adaptive kernel ridge regression. Our proposed variable selection method is based on the kernel matrix and dual problem with a much smaller n × n matrix. It is very efficient when the number of unknown variables (genes is much larger than the number of samples. Moreover, the primal variables are explicitly updated and the sparsity in the solution is exploited. Conclusions Our proposed methods can simultaneously identify survival associated prognostic factors and predict survival outcomes with ultra-high dimensional genomic data. We have demonstrated the performance of our methods with both simulation and real data. The proposed method performs superbly with limited computational studies.

  17. Comparison of preconditioned generalized conjugate gradient methods to two-dimensional neutron and photon transport equation

    International Nuclear Information System (INIS)

    Chen, G.S.; Yang, D.Y.

    1998-01-01

    We apply and compare the preconditioned generalized conjugate gradient methods to solve the linear system equation that arises in the two-dimensional neutron and photon transport equation in this paper. Several subroutines are developed on the basis of preconditioned generalized conjugate gradient methods for time-independent, two-dimensional neutron and photon transport equation in the transport theory. These generalized conjugate gradient methods are used: TFQMR (transpose free quasi-minimal residual algorithm) CGS (conjugate gradient square algorithm), Bi-CGSTAB (bi-conjugate gradient stabilized algorithm) and QMRCGSTAB (quasi-minimal residual variant of bi-conjugate gradient stabilized algorithm). These subroutines are connected to computer program DORT. Several problems are tested on a personal computer with Intel Pentium CPU. The reasons to choose the generalized conjugate gradient methods are that the methods have better residual (equivalent to error) control procedures in the computation and have better convergent rate. The pointwise incomplete LU factorization ILU, modified pointwise incomplete LU factorization MILU, block incomplete factorization BILU and modified blockwise incomplete LU factorization MBILU are the preconditioning techniques used in the several testing problems. In Bi-CGSTAB, CGS, TFQMR and QMRCGSTAB method, we find that either CGS or Bi-CGSTAB method combined with preconditioner MBILU is the most efficient algorithm in these methods in the several testing problems. The numerical solution of flux by preconditioned CGS and Bi-CGSTAB methods has the same result as those from Cray computer, obtained by either the point successive relaxation method or the line successive relaxation method combined with Gaussian elimination

  18. Covariance Method of the Tunneling Radiation from High Dimensional Rotating Black Holes

    Science.gov (United States)

    Li, Hui-Ling; Han, Yi-Wen; Chen, Shuai-Ru; Ding, Cong

    2018-04-01

    In this paper, Angheben-Nadalini-Vanzo-Zerbini (ANVZ) covariance method is used to study the tunneling radiation from the Kerr-Gödel black hole and Myers-Perry black hole with two independent angular momentum. By solving the Hamilton-Jacobi equation and separating the variables, the radial motion equation of a tunneling particle is obtained. Using near horizon approximation and the distance of the proper pure space, we calculate the tunneling rate and the temperature of Hawking radiation. Thus, the method of ANVZ covariance is extended to the research of high dimensional black hole tunneling radiation.

  19. Numerical method for solving the three-dimensional time-dependent neutron diffusion equation

    International Nuclear Information System (INIS)

    Khaled, S.M.; Szatmary, Z.

    2005-01-01

    A numerical time-implicit method has been developed for solving the coupled three-dimensional time-dependent multi-group neutron diffusion and delayed neutron precursor equations. The numerical stability of the implicit computation scheme and the convergence of the iterative associated processes have been evaluated. The computational scheme requires the solution of large linear systems at each time step. For this purpose, the point over-relaxation Gauss-Seidel method was chosen. A new scheme was introduced instead of the usual source iteration scheme. (author)

  20. Modification of equivalent charge method for the Roben three-dimensional problem in electrostatics

    International Nuclear Information System (INIS)

    Barsukov, A.B.; Surenskij, A.V.

    1989-01-01

    The approach of the Roben problem solution for the calculation of the potential of intermediate electrode of accelerating structure with HFQ focusing is considered. The solution is constructed on the basis of variational formulation of the equivalent charge method, where electrostatic problem is reduced to equations of root-mean-square residuals on the system conductors. The technique presented permits to solve efficiently the three-dimensional problems of electrostatics for rather complicated from geometrical viewpoint systems of electrodes. Processing time is comparable with methods of integral equations. 5 refs.; 2 figs

  1. Simulation of three-dimensional, time-dependent, incompressible flows by a finite element method

    International Nuclear Information System (INIS)

    Chan, S.T.; Gresho, P.M.; Lee, R.L.; Upson, C.D.

    1981-01-01

    A finite element model has been developed for simulating the dynamics of problems encountered in atmospheric pollution and safety assessment studies. The model is based on solving the set of three-dimensional, time-dependent, conservation equations governing incompressible flows. Spatial discretization is performed via a modified Galerkin finite element method, and time integration is carried out via the forward Euler method (pressure is computed implicitly, however). Several cost-effective techniques (including subcycling, mass lumping, and reduced Gauss-Legendre quadrature) which have been implemented are discussed. Numerical results are presented to demonstrate the applicability of the model

  2. A method for three-dimensional structural analysis of reinforced concrete containment

    International Nuclear Information System (INIS)

    Kulak, R.F.; Fiala, C.

    1989-01-01

    A finite element method designed to assist reactor safety analysts in the three-dimensional numerical simulation of reinforced concrete containments to normal and off-normal mechanical loadings is presented. The development of a lined reinforced concrete plate element is described in detail, and the implementation of an empirical transverse shear failure criteria is discussed. The method is applied to the analysis of a 1/6th scale reinforced concrete containment model subjected to static internal pressurization. 11 refs., 14 figs., 1 tab

  3. A method for three-dimensional quantitative observation of the microstructure of biological samples

    Science.gov (United States)

    Wang, Pengfei; Chen, Dieyan; Ma, Wanyun; Wu, Hongxin; Ji, Liang; Sun, Jialin; Lv, Danyu; Zhang, Lu; Li, Ying; Tian, Ning; Zheng, Jinggao; Zhao, Fengying

    2009-07-01

    Contemporary biology has developed into the era of cell biology and molecular biology, and people try to study the mechanism of all kinds of biological phenomena at the microcosmic level now. Accurate description of the microstructure of biological samples is exigent need from many biomedical experiments. This paper introduces a method for 3-dimensional quantitative observation on the microstructure of vital biological samples based on two photon laser scanning microscopy (TPLSM). TPLSM is a novel kind of fluorescence microscopy, which has excellence in its low optical damage, high resolution, deep penetration depth and suitability for 3-dimensional (3D) imaging. Fluorescent stained samples were observed by TPLSM, and afterward the original shapes of them were obtained through 3D image reconstruction. The spatial distribution of all objects in samples as well as their volumes could be derived by image segmentation and mathematic calculation. Thus the 3-dimensionally and quantitatively depicted microstructure of the samples was finally derived. We applied this method to quantitative analysis of the spatial distribution of chromosomes in meiotic mouse oocytes at metaphase, and wonderful results came out last.

  4. Direct-coupled-ray method for design-oriented three-dimensional transport analysis

    International Nuclear Information System (INIS)

    Bucholz, J.A.; Poncelet, C.G.

    1977-01-01

    A fast three-dimensional design-oriented transport method has been developed for the solution of both neutron and gamma transport problems. It combines a nodal approach with analytic integral transport to achieve relative speed and accuracy. An analytic solution is obtained for the angular flux in each of the 14 directions defined by the six faces and eight corners of a cubic mesh block. The scheme used to accommodate high-order anisotropic scattering is based on the formulation of ray-to-ray scattering probabilities in an integral sense. A variable mesh approximation has also been introduced to provide greater flexibility. The details of a direct-coupled-ray (DCR) → P 1 conversion technique have been developed but not yet implemented. The DCR method, as implemented in the TRANS3 code, has been used in a number of liquid-metal fast breeder reactor shielding applications. These included a one-dimensional deep penetration configuration and one-, two-, and three dimensional representations of the lower axial shield of the Clinch River Breeder Reactor. Comparisons with ANISN and DOT-III solutions indicated good to excellent agreement in most situations

  5. Solution of two-dimensional equations of neutron transport in 4P0-approximation of spherical harmonics method

    International Nuclear Information System (INIS)

    Polivanskij, V.P.

    1989-01-01

    The method to solve two-dimensional equations of neutron transport using 4P 0 -approximation is presented. Previously such approach was efficiently used for the solution of one-dimensional problems. New an attempt is made to apply the approach to solution of two-dimensional problems. Algorithm of the solution is given, as well as results of test neutron-physical calculations. A considerable as compared with diffusion approximation is shown. 11 refs

  6. Coupled DQ-FE methods for two dimensional transient heat transfer analysis of functionally graded material

    Energy Technology Data Exchange (ETDEWEB)

    Golbahar Haghighi, M.R.; Eghtesad, M. [Department of Mechanical Engineering, School of Engineering, Shiraz University, Shiraz 71348-51154 (Iran, Islamic Republic of); Malekzadeh, P. [Department of Mechanical Engineering, School of Engineering, Persian Gulf University, Boushehr 75169-13798 (Iran, Islamic Republic of)], E-mail: malekzadeh@pgu.ac.ir

    2008-05-15

    In this paper, a mixed finite element (FE) and differential quadrature (DQ) method as a simple, accurate and computationally efficient numerical tool for two dimensional transient heat transfer analysis of functionally graded materials (FGMs) is developed. The method benefits from the high accuracy, fast convergence behavior and low computational efforts of the DQ in conjunction with the advantages of the FE method in general geometry, loading and systematic boundary treatment. Also, the boundary conditions at the top and bottom surfaces of the domain can be implemented more precisely and in strong form. The temporal derivatives are discretized using an incremental DQ method (IDQM), whose numerical stability is not sensitive to time step size. The effects of non-uniform convective-radiative conditions on the boundaries are investigated. The accuracy of the proposed method is demonstrated by comparing its results with those available in the literature. It is shown that using few grid points, highly accurate results can be obtained.

  7. PARALLEL ALGORITHM FOR THREE-DIMENSIONAL STOKES FLOW SIMULATION USING BOUNDARY ELEMENT METHOD

    Directory of Open Access Journals (Sweden)

    D. G. Pribytok

    2016-01-01

    Full Text Available Parallel computing technique for modeling three-dimensional viscous flow (Stokes flow using direct boundary element method is presented. The problem is solved in three phases: sampling and construction of system of linear algebraic equations (SLAE, its decision and finding the velocity of liquid at predetermined points. For construction of the system and finding the velocity, the parallel algorithms using graphics CUDA cards programming technology have been developed and implemented. To solve the system of linear algebraic equations the implemented software libraries are used. A comparison of time consumption for three main algorithms on the example of calculation of viscous fluid motion in three-dimensional cavity is performed.

  8. Three-Dimensional Computed Tomography as a Method for Finding Die Attach Voids in Diodes

    Science.gov (United States)

    Brahm, E. N.; Rolin, T. D.

    2010-01-01

    NASA analyzes electrical, electronic, and electromechanical (EEE) parts used in space vehicles to understand failure modes of these components. The diode is an EEE part critical to NASA missions that can fail due to excessive voiding in the die attach. Metallography, one established method for studying the die attach, is a time-intensive, destructive, and equivocal process whereby mechanical grinding of the diodes is performed to reveal voiding in the die attach. Problems such as die attach pull-out tend to complicate results and can lead to erroneous conclusions. The objective of this study is to determine if three-dimensional computed tomography (3DCT), a nondestructive technique, is a viable alternative to metallography for detecting die attach voiding. The die attach voiding in two- dimensional planes created from 3DCT scans was compared to several physical cross sections of the same diode to determine if the 3DCT scan accurately recreates die attach volumetric variability

  9. Three-dimensional static and dynamic reactor calculations by the nodal expansion method

    International Nuclear Information System (INIS)

    Christensen, B.

    1985-05-01

    This report reviews various method for the calculation of the neutron-flux- and power distribution in an nuclear reactor. The nodal expansion method (NEM) is especially described in much detail. The nodal expansion method solves the diffusion equation. In this method the reactor core is divided into nodes, typically 10 to 20 cm in each direction, and the average flux in each node is calculated. To obtain the coupling between the nodes the local flux inside each node is expressed by use of a polynomial expansion. The expansion is one-dimensional, so inside each node such three expansions occur. To calculate the expansion coefficients it is necessary that the polynomial expansion is a solution to the one-dimensional diffusion equation. When the one-dimensional diffusion equation is established a term with the transversal leakage occur, and this term is expanded after the same polynomials. The resulting equation system with the expansion coefficients as the unknowns is solved with weigthed residual technique. The nodal expansion method is built into a computer program (also called NEM), which is divided into two parts, one part for steady-state calculations and one part for dynamic calculations. It is possible to take advantage of symmetry properties of the reactor core. The program is very flexible with regard to the number of energy groups, the node size, the flux expansion order and the transverse leakage expansion order. The boundary of the core is described by albedos. The program and input to it are described. The program is tested on a number of examples extending from small theoretical one up to realistic reactor cores. Many calculations are done on the wellknown IAEA benchmark case. The calculations have tested the accuracy and the computing time for various node sizes and polynomial expansions. In the dynamic examples various strategies for variation of the time step-length have been tested. (author)

  10. A Generic multi-dimensional feature extraction method using multiobjective genetic programming.

    Science.gov (United States)

    Zhang, Yang; Rockett, Peter I

    2009-01-01

    In this paper, we present a generic feature extraction method for pattern classification using multiobjective genetic programming. This not only evolves the (near-)optimal set of mappings from a pattern space to a multi-dimensional decision space, but also simultaneously optimizes the dimensionality of that decision space. The presented framework evolves vector-to-vector feature extractors that maximize class separability. We demonstrate the efficacy of our approach by making statistically-founded comparisons with a wide variety of established classifier paradigms over a range of datasets and find that for most of the pairwise comparisons, our evolutionary method delivers statistically smaller misclassification errors. At very worst, our method displays no statistical difference in a few pairwise comparisons with established classifier/dataset combinations; crucially, none of the misclassification results produced by our method is worse than any comparator classifier. Although principally focused on feature extraction, feature selection is also performed as an implicit side effect; we show that both feature extraction and selection are important to the success of our technique. The presented method has the practical consequence of obviating the need to exhaustively evaluate a large family of conventional classifiers when faced with a new pattern recognition problem in order to attain a good classification accuracy.

  11. Nodal methods with non linear feedback for the three dimensional resolution of the diffusion's multigroup equations

    International Nuclear Information System (INIS)

    Ferri, A.A.

    1986-01-01

    Nodal methods applied in order to calculate the power distribution in a nuclear reactor core are presented. These methods have received special attention, because they yield accurate results in short computing times. Present nodal schemes contain several unknowns per node and per group. In the methods presented here, non linear feedback of the coupling coefficients has been applied to reduce this number to only one unknown per node and per group. The resulting algorithm is a 7- points formula, and the iterative process has proved stable in the response matrix scheme. The intranodal flux shape is determined by partial integration of the diffusion equations over two of the coordinates, leading to a set of three coupled one-dimensional equations. These can be solved by using a polynomial approximation or by integration (analytic solution). The tranverse net leakage is responsible for the coupling between the spatial directions, and two alternative methods are presented to evaluate its shape: direct parabolic approximation and local model expansion. Numerical results, which include the IAEA two-dimensional benchmark problem illustrate the efficiency of the developed methods. (M.E.L.) [es

  12. A demonstration of adjoint methods for multi-dimensional remote sensing of the atmosphere and surface

    International Nuclear Information System (INIS)

    Martin, William G.K.; Hasekamp, Otto P.

    2018-01-01

    Highlights: • We demonstrate adjoint methods for atmospheric remote sensing in a two-dimensional setting. • Searchlight functions are used to handle the singularity of measurement response functions. • Adjoint methods require two radiative transfer calculations to evaluate the measurement misfit function and its derivatives with respect to all unknown parameters. • Synthetic retrieval studies show the scalability of adjoint methods to problems with thousands of measurements and unknown parameters. • Adjoint methods and the searchlight function technique are generalizable to 3D remote sensing. - Abstract: In previous work, we derived the adjoint method as a computationally efficient path to three-dimensional (3D) retrievals of clouds and aerosols. In this paper we will demonstrate the use of adjoint methods for retrieving two-dimensional (2D) fields of cloud extinction. The demonstration uses a new 2D radiative transfer solver (FSDOM). This radiation code was augmented with adjoint methods to allow efficient derivative calculations needed to retrieve cloud and surface properties from multi-angle reflectance measurements. The code was then used in three synthetic retrieval studies. Our retrieval algorithm adjusts the cloud extinction field and surface albedo to minimize the measurement misfit function with a gradient-based, quasi-Newton approach. At each step we compute the value of the misfit function and its gradient with two calls to the solver FSDOM. First we solve the forward radiative transfer equation to compute the residual misfit with measurements, and second we solve the adjoint radiative transfer equation to compute the gradient of the misfit function with respect to all unknowns. The synthetic retrieval studies verify that adjoint methods are scalable to retrieval problems with many measurements and unknowns. We can retrieve the vertically-integrated optical depth of moderately thick clouds as a function of the horizontal coordinate. It is also

  13. Application of Nondimensional Dynamic Influence Function Method for Eigenmode Analysis of Two-Dimensional Acoustic Cavities

    Directory of Open Access Journals (Sweden)

    S. W. Kang

    2014-04-01

    Full Text Available This paper establishes an improved NDIF method for the eigenvalue extraction of two-dimensional acoustic cavities with arbitrary shapes. The NDIF method, which was introduced by the authors in 1999, gives highly accurate eigenvalues despite employing a small number of nodes. However, it needs the inefficient procedure of calculating the singularity of a system matrix in the frequency range of interest for extracting eigenvalues and mode shapes. The paper proposes a practical approach for overcoming the inefficient procedure by making the final system matrix equation of the NDIF method into a form of algebraic eigenvalue problem. The solution quality of the proposed method is investigated by obtaining the eigenvalues and mode shapes of a circular, a rectangular, and an arbitrarily shaped cavity.

  14. Three-dimensional photoacoustic tomography based on graphics-processing-unit-accelerated finite element method.

    Science.gov (United States)

    Peng, Kuan; He, Ling; Zhu, Ziqiang; Tang, Jingtian; Xiao, Jiaying

    2013-12-01

    Compared with commonly used analytical reconstruction methods, the frequency-domain finite element method (FEM) based approach has proven to be an accurate and flexible algorithm for photoacoustic tomography. However, the FEM-based algorithm is computationally demanding, especially for three-dimensional cases. To enhance the algorithm's efficiency, in this work a parallel computational strategy is implemented in the framework of the FEM-based reconstruction algorithm using a graphic-processing-unit parallel frame named the "compute unified device architecture." A series of simulation experiments is carried out to test the accuracy and accelerating effect of the improved method. The results obtained indicate that the parallel calculation does not change the accuracy of the reconstruction algorithm, while its computational cost is significantly reduced by a factor of 38.9 with a GTX 580 graphics card using the improved method.

  15. Fast multiview three-dimensional reconstruction method using cost volume filtering

    Science.gov (United States)

    Lee, Seung Joo; Park, Min Ki; Jang, In Yeop; Lee, Kwan H.

    2014-03-01

    As the number of customers who want to record three-dimensional (3-D) information using a mobile electronic device increases, it becomes more and more important to develop a method which quickly reconstructs a 3-D model from multiview images. A fast multiview-based 3-D reconstruction method is presented, which is suitable for the mobile environment by constructing a cost volume of the 3-D height field. This method consists of two steps: the construction of a reliable base surface and the recovery of shape details. In each step, the cost volume is constructed using photoconsistency and then it is filtered according to the multiscale. The multiscale-based cost volume filtering allows the 3-D reconstruction to maintain the overall shape and to preserve the shape details. We demonstrate the strength of the proposed method in terms of computation time, accuracy, and unconstrained acquisition environment.

  16. Development of an automated extraction method for liver tumors in three dimensional multiphase multislice CT images

    International Nuclear Information System (INIS)

    Nakagawa, Junya; Shimizu, Akinobu; Kobatake, Hidefumi

    2004-01-01

    This paper proposes a tumor detection method using four phase three dimensional (3D) CT images of livers, i.e. non-contrast, early, portal, and late phase images. The method extracts liver regions from the four phase images and enhances tumors in the livers using a 3D adaptive convergence index filter. Then it detects local maximum points and extracts tumor candidates by a region growing method. Subsequently several features of the candidates are measured and each candidate is classified into true tumor or normal tissue based on Mahalanobis distances. Above processes except liver region extraction are applied to four phase images, independently and four resultant images are integrated into one. We applied the proposed method to 3D abdominal CT images of ten patients obtained with multi-detector row CT scanner and confirmed that tumor detection rate was 100% without false positives, which was quite promising results. (author)

  17. A two pressure-velocity approach for immersed boundary methods in three dimensional incompressible flows

    International Nuclear Information System (INIS)

    Sabir, O; Ahmad, Norhafizan; Nukman, Y; Tuan Ya, T M Y S

    2013-01-01

    This paper describes an innovative method for computing fluid solid interaction using Immersed boundary methods with two stage pressure-velocity corrections. The algorithm calculates the interactions between incompressible viscous flows and a solid shape in three-dimensional domain. The fractional step method is used to solve the Navier-Stokes equations in finite difference schemes. Most of IBMs are concern about exchange of the momentum between the Eulerian variables (fluid) and the Lagrangian nodes (solid). To address that concern, a new algorithm to correct the pressure and the velocity using Simplified Marker and Cell method is added. This scheme is applied on staggered grid to simulate the flow past a circular cylinder and study the effect of the new stage on calculations cost. To evaluate the accuracy of the computations the results are compared with the previous software results. The paper confirms the capacity of new algorithm for accurate and robust simulation of Fluid Solid Interaction with respect to pressure field

  18. Transmission probability method for solving neutron transport equation in three-dimensional triangular-z geometry

    Energy Technology Data Exchange (ETDEWEB)

    Liu Guoming [Department of Nuclear Engineering, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China)], E-mail: gmliusy@gmail.com; Wu Hongchun; Cao Liangzhi [Department of Nuclear Engineering, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China)

    2008-09-15

    This paper presents a transmission probability method (TPM) to solve the neutron transport equation in three-dimensional triangular-z geometry. The source within the mesh is assumed to be spatially uniform and isotropic. At the mesh surface, the constant and the simplified P{sub 1} approximation are invoked for the anisotropic angular flux distribution. Based on this model, a code TPMTDT is encoded. It was verified by three 3D Takeda benchmark problems, in which the first two problems are in XYZ geometry and the last one is in hexagonal-z geometry, and an unstructured geometry problem. The results of the present method agree well with those of Monte-Carlo calculation method and Spherical Harmonics (P{sub N}) method.

  19. TMCC: a transient three-dimensional neutron transport code by the direct simulation method - 222

    International Nuclear Information System (INIS)

    Shen, H.; Li, Z.; Wang, K.; Yu, G.

    2010-01-01

    A direct simulation method (DSM) is applied to solve the transient three-dimensional neutron transport problems. DSM is based on the Monte Carlo method, and can be considered as an application of the Monte Carlo method in the specific type of problems. In this work, the transient neutronics problem is solved by simulating the dynamic behaviors of neutrons and precursors of delayed neutrons during the transient process. DSM gets rid of various approximations which are always necessary to other methods, so it is precise and flexible in the requirement of geometric configurations, material compositions and energy spectrum. In this paper, the theory of DSM is introduced first, and the numerical results obtained with the new transient analysis code, named TMCC (Transient Monte Carlo Code), are presented. (authors)

  20. Application of an engineering inviscid-boundary layer method to slender three-dimensional vehicle forebodies

    Science.gov (United States)

    Riley, Christopher J.

    1993-01-01

    An engineering inviscid-boundary layer method has been modified for application to slender three-dimensional (3-D) forebodies which are characteristic of transatmospheric vehicles. An improved shock description in the nose region has been added to the inviscid technique which allows the calculation of a wider range of body geometries. The modified engineering method is applied to the perfect gas solution over a slender 3-D configuration at angle of attack. The method predicts surface pressures and laminar heating rates on the windward side of the vehicle that compare favorably with numerical solutions of the thin-layer Navier-Stokes equations. These improvements extend the 3-D capabilities of the engineering method and significantly increase its design applications.

  1. Finite element method with quadratic quadrilateral unit for solving two dimensional incompressible N-S equation

    International Nuclear Information System (INIS)

    Tao Ganqiang; Yu Qing; Xiao Xiao

    2011-01-01

    Viscous and incompressible fluid flow is important for numerous engineering mechanics problems. Because of high non linear and incompressibility for Navier-Stokes equation, it is very difficult to solve Navier-Stokes equation by numerical method. According to its characters of Navier-Stokes equation, quartic derivation controlling equation of the two dimensional incompressible Navier-Stokes equation is set up firstly. The method solves the problem for dealing with vorticity boundary and automatically meets incompressibility condition. Then Finite Element equation for Navier-Stokes equation is proposed by using quadratic quadrilateral unit with 8 nodes in which the unit function is quadratic and non linear.-Based on it, the Finite Element program of quadratic quadrilateral unit with 8 nodes is developed. Lastly, numerical experiment proves the accuracy and dependability of the method and also shows the method has good application prospect in computational fluid mechanics. (authors)

  2. A Monte Carlo Green's function method for three-dimensional neutron transport

    International Nuclear Information System (INIS)

    Gamino, R.G.; Brown, F.B.; Mendelson, M.R.

    1992-01-01

    This paper describes a Monte Carlo transport kernel capability, which has recently been incorporated into the RACER continuous-energy Monte Carlo code. The kernels represent a Green's function method for neutron transport from a fixed-source volume out to a particular volume of interest. This method is very powerful transport technique. Also, since kernels are evaluated numerically by Monte Carlo, the problem geometry can be arbitrarily complex, yet exact. This method is intended for problems where an ex-core neutron response must be determined for a variety of reactor conditions. Two examples are ex-core neutron detector response and vessel critical weld fast flux. The response is expressed in terms of neutron transport kernels weighted by a core fission source distribution. In these types of calculations, the response must be computed for hundreds of source distributions, but the kernels only need to be calculated once. The advance described in this paper is that the kernels are generated with a highly accurate three-dimensional Monte Carlo transport calculation instead of an approximate method such as line-of-sight attenuation theory or a synthesized three-dimensional discrete ordinates solution

  3. The ADO-nodal method for solving two-dimensional discrete ordinates transport problems

    International Nuclear Information System (INIS)

    Barichello, L.B.; Picoloto, C.B.; Cunha, R.D. da

    2017-01-01

    Highlights: • Two-dimensional discrete ordinates neutron transport. • Analytical Discrete Ordinates (ADO) nodal method. • Heterogeneous media fixed source problems. • Local solutions. - Abstract: In this work, recent results on the solution of fixed-source two-dimensional transport problems, in Cartesian geometry, are reported. Homogeneous and heterogeneous media problems are considered in order to incorporate the idea of arbitrary number of domain division into regions (nodes) when applying the ADO method, which is a method of analytical features, to those problems. The ADO-nodal formulation is developed, for each node, following previous work devoted to heterogeneous media problem. Here, however, the numerical procedure is extended to higher number of domain divisions. Such extension leads, in some cases, to the use of an iterative method for solving the general linear system which defines the arbitrary constants of the general solution. In addition to solve alternative heterogeneous media configurations than reported in previous works, the present approach allows comparisons with results provided by other metodologies generated with refined meshes. Numerical results indicate the ADO solution may achieve a prescribed accuracy using coarser meshes than other schemes.

  4. A new digitized reverse correction method for hypoid gears based on a one-dimensional probe

    Science.gov (United States)

    Li, Tianxing; Li, Jubo; Deng, Xiaozhong; Yang, Jianjun; Li, Genggeng; Ma, Wensuo

    2017-12-01

    In order to improve the tooth surface geometric accuracy and transmission quality of hypoid gears, a new digitized reverse correction method is proposed based on the measurement data from a one-dimensional probe. The minimization of tooth surface geometrical deviations is realized from the perspective of mathematical analysis and reverse engineering. Combining the analysis of complex tooth surface generation principles and the measurement mechanism of one-dimensional probes, the mathematical relationship between the theoretical designed tooth surface, the actual machined tooth surface and the deviation tooth surface is established, the mapping relation between machine-tool settings and tooth surface deviations is derived, and the essential connection between the accurate calculation of tooth surface deviations and the reverse correction method of machine-tool settings is revealed. Furthermore, a reverse correction model of machine-tool settings is built, a reverse correction strategy is planned, and the minimization of tooth surface deviations is achieved by means of the method of numerical iterative reverse solution. On this basis, a digitized reverse correction system for hypoid gears is developed by the organic combination of numerical control generation, accurate measurement, computer numerical processing, and digitized correction. Finally, the correctness and practicability of the digitized reverse correction method are proved through a reverse correction experiment. The experimental results show that the tooth surface geometric deviations meet the engineering requirements after two trial cuts and one correction.

  5. Registration and three-dimensional reconstruction of autoradiographic images by the disparity analysis method

    International Nuclear Information System (INIS)

    Zhao, Weizhao; Ginsberg, M.; Young, T.Y.

    1993-01-01

    Quantitative autoradiography is a powerful radio-isotopic-imaging method for neuroscientists to study local cerebral blood flow and glucose-metabolic rate at rest, in response to physiologic activation of the visual, auditory, somatosensory, and motor systems, and in pathologic conditions. Most autoradiographic studies analyze glucose utilization and blood flow in two-dimensional (2-D) coronal sections. With modern digital computer and image-processing techniques, a large number of closely spaced coronal sections can be stacked appropriately to form a three-dimensional (3-d) image. 3-D autoradiography allows investigators to observe cerebral sections and surfaces from any viewing angle. A fundamental problem in 3-D reconstruction is the alignment (registration) of the coronal sections. A new alignment method based on disparity analysis is presented which can overcome many of the difficulties encountered by previous methods. The disparity analysis method can deal with asymmetric, damaged, or tilted coronal sections under the same general framework, and it can be used to match coronal sections of different sizes and shapes. Experimental results on alignment and 3-D reconstruction are presented

  6. The interpolation method based on endpoint coordinate for CT three-dimensional image

    International Nuclear Information System (INIS)

    Suto, Yasuzo; Ueno, Shigeru.

    1997-01-01

    Image interpolation is frequently used to improve slice resolution to reach spatial resolution. Improved quality of reconstructed three-dimensional images can be attained with this technique as a result. Linear interpolation is a well-known and widely used method. The distance-image method, which is a non-linear interpolation technique, is also used to convert CT value images to distance images. This paper describes a newly developed method that makes use of end-point coordinates: CT-value images are initially converted to binary images by thresholding them and then sequences of pixels with 1-value are arranged in vertical or horizontal directions. A sequence of pixels with 1-value is defined as a line segment which has starting and end points. For each pair of adjacent line segments, another line segment was composed by spatial interpolation of the start and end points. Binary slice images are constructed from the composed line segments. Three-dimensional images were reconstructed from clinical X-ray CT images, using three different interpolation methods and their quality and processing speed were evaluated and compared. (author)

  7. Two-dimensional semi-analytic nodal method for multigroup pin power reconstruction

    International Nuclear Information System (INIS)

    Seung Gyou, Baek; Han Gyu, Joo; Un Chul, Lee

    2007-01-01

    A pin power reconstruction method applicable to multigroup problems involving square fuel assemblies is presented. The method is based on a two-dimensional semi-analytic nodal solution which consists of eight exponential terms and 13 polynomial terms. The 13 polynomial terms represent the particular solution obtained under the condition of a 2-dimensional 13 term source expansion. In order to achieve better approximation of the source distribution, the least square fitting method is employed. The 8 exponential terms represent a part of the analytically obtained homogeneous solution and the 8 coefficients are determined by imposing constraints on the 4 surface average currents and 4 corner point fluxes. The surface average currents determined from a transverse-integrated nodal solution are used directly whereas the corner point fluxes are determined during the course of the reconstruction by employing an iterative scheme that would realize the corner point balance condition. The outgoing current based corner point flux determination scheme is newly introduced. The accuracy of the proposed method is demonstrated with the L336C5 benchmark problem. (authors)

  8. Solving (2 + 1)-dimensional sine-Poisson equation by a modified variable separated ordinary differential equation method

    International Nuclear Information System (INIS)

    Ka-Lin, Su; Yuan-Xi, Xie

    2010-01-01

    By introducing a more general auxiliary ordinary differential equation (ODE), a modified variable separated ordinary differential equation method is presented for solving the (2 + 1)-dimensional sine-Poisson equation. As a result, many explicit and exact solutions of the (2 + 1)-dimensional sine-Poisson equation are derived in a simple manner by this technique. (general)

  9. Bibliography of papers, reports, and presentations related to point-sample dimensional measurement methods for machined part evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Baldwin, J.M. [Sandia National Labs., Livermore, CA (United States). Integrated Manufacturing Systems

    1996-04-01

    The Dimensional Inspection Techniques Specification (DITS) Project is an ongoing effort to produce tools and guidelines for optimum sampling and data analysis of machined parts, when measured using point-sample methods of dimensional metrology. This report is a compilation of results of a literature survey, conducted in support of the DITS. Over 160 citations are included, with author abstracts where available.

  10. New Traveling Wave Solutions of the Higher Dimensional Nonlinear Partial Differential Equation by the Exp-Function Method

    Directory of Open Access Journals (Sweden)

    Hasibun Naher

    2012-01-01

    Full Text Available We construct new analytical solutions of the (3+1-dimensional modified KdV-Zakharov-Kuznetsev equation by the Exp-function method. Plentiful exact traveling wave solutions with arbitrary parameters are effectively obtained by the method. The obtained results show that the Exp-function method is effective and straightforward mathematical tool for searching analytical solutions with arbitrary parameters of higher-dimensional nonlinear partial differential equation.

  11. In Vitro Evaluation of Dimensional Stability of Alginate Impressions after Disinfection by Spray and Immersion Methods

    Directory of Open Access Journals (Sweden)

    Fahimeh Hamedi Rad

    2010-12-01

    Full Text Available Background and aims. The most common method for alginate impression disinfection is spraying it with disinfecting agents, but some studies have shown that these impressions can be immersed, too. The aim of this study was to evaluate the dimensional stability of alginate impressions following disinfecting by spray and immersion methods. Materials and methods. Four common disinfecting agents (Sodium Hypochlorite, Micro 10, Glutaraldehyde and Deconex were selected and the impressions (n=108 were divided into four groups (n=24 and eight subgroups (n=12 for disinfecting by any of the four above-mentioned agents by spray or immersion methods. The control group (n=12 was not disinfected. Then the impressions were poured by type III Dental Stone Plaster in a standard method. The results were analyzed by descriptive methods (mean and standard deviation, t-test, two-way analysis of variance (ANOVA and Duncan test, using SPSS 14.0 software for windows. Results. The mean changes of length and height were significant between the various groups and disinfecting methods. Regarding the length, the greatest and the least amounts were related to Deconex and Micro 10 in the immersion method, respectively. Regarding height, the greatest and the least amounts were related to Glutaraldehyde and Deconex in the immersion method, respectively. Conclusion. Disinfecting alginate impressions by Sodium Hypochlorite, Deconex and Glutaraldehyde by immersion method is not recommended and it is better to disinfect alginate impressions by spraying of Micro 10, Sodium Hypochlorite, Glutaraldehyde and immersion in Micro 10.

  12. Method translation and full metadata transfer from thermal to differential flow modulated comprehensive two dimensional gas chromatography: Profiling of suspected fragrance allergens.

    Science.gov (United States)

    Cordero, Chiara; Rubiolo, Patrizia; Reichenbach, Stephen E; Carretta, Andrea; Cobelli, Luigi; Giardina, Matthew; Bicchi, Carlo

    2017-01-13

    The possibility to transfer methods from thermal to differential-flow modulated comprehensive two-dimensional gas chromatographic (GC×GC) platforms is of high interest to improve GC×GC flexibility and increase the compatibility of results from different platforms. The principles of method translation are here applied to an original method, developed for a loop-type thermal modulated GC×GC-MS/FID system, suitable for quali-quantitative screening of suspected fragrance allergens. The analysis conditions were translated to a reverse-injection differential flow modulated platform (GC×2GC-MS/FID) with a dual-parallel secondary column and dual detection. The experimental results, for a model mixture of suspected volatile allergens and for raw fragrance mixtures of different composition, confirmed the feasibility of translating methods by preserving 1 D elution order, as well as the relative alignment of resulting 2D peak patterns. A correct translation produced several benefits including an effective transfer of metadata (compound names, MS fragmentation pattern, response factors) by automatic template transformation and matching from the original/reference method to its translated counterpart. The correct translation provided: (a) 2D pattern repeatability, (b) MS fragmentation pattern reliability for identity confirmation, and (c) comparable response factors and quantitation accuracy within a concentration range of three orders of magnitude. The adoption of a narrow bore (i.e. 0.1mm d c ) first-dimension column to operate under close-to-optimal conditions with the differential-flow modulation GC×GC platform was also advantageous in halving the total analysis under the translated conditions. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Bandgap optimization of two-dimensional photonic crystals using semidefinite programming and subspace methods

    International Nuclear Information System (INIS)

    Men, H.; Nguyen, N.C.; Freund, R.M.; Parrilo, P.A.; Peraire, J.

    2010-01-01

    In this paper, we consider the optimal design of photonic crystal structures for two-dimensional square lattices. The mathematical formulation of the bandgap optimization problem leads to an infinite-dimensional Hermitian eigenvalue optimization problem parametrized by the dielectric material and the wave vector. To make the problem tractable, the original eigenvalue problem is discretized using the finite element method into a series of finite-dimensional eigenvalue problems for multiple values of the wave vector parameter. The resulting optimization problem is large-scale and non-convex, with low regularity and non-differentiable objective. By restricting to appropriate eigenspaces, we reduce the large-scale non-convex optimization problem via reparametrization to a sequence of small-scale convex semidefinite programs (SDPs) for which modern SDP solvers can be efficiently applied. Numerical results are presented for both transverse magnetic (TM) and transverse electric (TE) polarizations at several frequency bands. The optimized structures exhibit patterns which go far beyond typical physical intuition on periodic media design.

  14. Approximate solutions of the two-dimensional integral transport equation by collision probability methods

    International Nuclear Information System (INIS)

    Sanchez, Richard

    1977-01-01

    A set of approximate solutions for the isotropic two-dimensional neutron transport problem has been developed using the Interface Current formalism. The method has been applied to regular lattices of rectangular cells containing a fuel pin, cladding and water, or homogenized structural material. The cells are divided into zones which are homogeneous. A zone-wise flux expansion is used to formulate a direct collision probability problem within a cell. The coupling of the cells is made by making extra assumptions on the currents entering and leaving the interfaces. Two codes have been written: the first uses a cylindrical cell model and one or three terms for the flux expansion; the second uses a two-dimensional flux representation and does a truly two-dimensional calculation inside each cell. In both codes one or three terms can be used to make a space-independent expansion of the angular fluxes entering and leaving each side of the cell. The accuracies and computing times achieved with the different approximations are illustrated by numerical studies on two benchmark pr

  15. Enhanced spectral resolution by high-dimensional NMR using the filter diagonalization method and "hidden" dimensions.

    Science.gov (United States)

    Meng, Xi; Nguyen, Bao D; Ridge, Clark; Shaka, A J

    2009-01-01

    High-dimensional (HD) NMR spectra have poorer digital resolution than low-dimensional (LD) spectra, for a fixed amount of experiment time. This has led to "reduced-dimensionality" strategies, in which several LD projections of the HD NMR spectrum are acquired, each with higher digital resolution; an approximate HD spectrum is then inferred by some means. We propose a strategy that moves in the opposite direction, by adding more time dimensions to increase the information content of the data set, even if only a very sparse time grid is used in each dimension. The full HD time-domain data can be analyzed by the filter diagonalization method (FDM), yielding very narrow resonances along all of the frequency axes, even those with sparse sampling. Integrating over the added dimensions of HD FDM NMR spectra reconstitutes LD spectra with enhanced resolution, often more quickly than direct acquisition of the LD spectrum with a larger number of grid points in each of the fewer dimensions. If the extra-dimensions do not appear in the final spectrum, and are used solely to boost information content, we propose the moniker hidden-dimension NMR. This work shows that HD peaks have unmistakable frequency signatures that can be detected as single HD objects by an appropriate algorithm, even though their patterns would be tricky for a human operator to visualize or recognize, and even if digital resolution in an HD FT spectrum is very coarse compared with natural line widths.

  16. Solution of D dimensional Dirac equation for hyperbolic tangent potential using NU method and its application in material properties

    Energy Technology Data Exchange (ETDEWEB)

    Suparmi, A., E-mail: soeparmi@staff.uns.ac.id; Cari, C., E-mail: cari@staff.uns.ac.id; Pratiwi, B. N., E-mail: namakubetanurpratiwi@gmail.com [Physics Department, Faculty of Mathematics and Science, Sebelas Maret University, Jl. Ir. Sutami 36A Kentingan Surakarta 57126 (Indonesia); Deta, U. A. [Physics Department, Faculty of Science and Mathematics Education and Teacher Training, Surabaya State University, Surabaya (Indonesia)

    2016-02-08

    The analytical solution of D-dimensional Dirac equation for hyperbolic tangent potential is investigated using Nikiforov-Uvarov method. In the case of spin symmetry the D dimensional Dirac equation reduces to the D dimensional Schrodinger equation. The D dimensional relativistic energy spectra are obtained from D dimensional relativistic energy eigen value equation by using Mat Lab software. The corresponding D dimensional radial wave functions are formulated in the form of generalized Jacobi polynomials. The thermodynamically properties of materials are generated from the non-relativistic energy eigen-values in the classical limit. In the non-relativistic limit, the relativistic energy equation reduces to the non-relativistic energy. The thermal quantities of the system, partition function and specific heat, are expressed in terms of error function and imaginary error function which are numerically calculated using Mat Lab software.

  17. Two numerical methods for the solution of two-dimensional eddy current problems

    International Nuclear Information System (INIS)

    Biddlecombe, C.S.

    1978-07-01

    A general method for the solution of eddy current problems in two dimensions - one component of current density and two of magnetic field, is reported. After examining analytical methods two numerical methods are presented. Both solve the two dimensional, low frequency limit of Maxwell's equations for transient eddy currents in conducting material, which may be permeable, in the presence of other non-conducting permeable material. Both solutions are expressed in terms of the magnetic vector potential. The first is an integral equation method, using zero order elements in the discretisation of the unknown source regions. The other is a differential equation method, using a first order finite element mesh, and the Galerkin weighted residual procedure. The resulting equations are solved as initial-value problems. Results from programs based on each method are presented showing the power and limitations of the methods and the range of problems solvable. The methods are compared and recommendations are made for choosing between them. Suggestions are made for improving both methods, involving boundary integral techniques. (author)

  18. Quantification of Artifact Reduction With Real-Time Cine Four-Dimensional Computed Tomography Acquisition Methods

    International Nuclear Information System (INIS)

    Langner, Ulrich W.; Keall, Paul J.

    2010-01-01

    Purpose: To quantify the magnitude and frequency of artifacts in simulated four-dimensional computed tomography (4D CT) images using three real-time acquisition methods- direction-dependent displacement acquisition, simultaneous displacement and phase acquisition, and simultaneous displacement and velocity acquisition- and to compare these methods with commonly used retrospective phase sorting. Methods and Materials: Image acquisition for the four 4D CT methods was simulated with different displacement and velocity tolerances for spheres with radii of 0.5 cm, 1.5 cm, and 2.5 cm, using 58 patient-measured tumors and respiratory motion traces. The magnitude and frequency of artifacts, CT doses, and acquisition times were computed for each method. Results: The mean artifact magnitude was 50% smaller for the three real-time methods than for retrospective phase sorting. The dose was ∼50% lower, but the acquisition time was 20% to 100% longer for the real-time methods than for retrospective phase sorting. Conclusions: Real-time acquisition methods can reduce the frequency and magnitude of artifacts in 4D CT images, as well as the imaging dose, but they increase the image acquisition time. The results suggest that direction-dependent displacement acquisition is the preferred real-time 4D CT acquisition method, because on average, the lowest dose is delivered to the patient and the acquisition time is the shortest for the resulting number and magnitude of artifacts.

  19. MRI definition of target volumes using fuzzy logic method for three-dimensional conformal radiation therapy

    International Nuclear Information System (INIS)

    Caudrelier, Jean-Michel; Vial, Stephane; Gibon, David; Kulik, Carine; Fournier, Charles; Castelain, Bernard; Coche-Dequeant, Bernard; Rousseau, Jean

    2003-01-01

    Purpose: Three-dimensional (3D) volume determination is one of the most important problems in conformal radiation therapy. Techniques of volume determination from tomographic medical imaging are usually based on two-dimensional (2D) contour definition with the result dependent on the segmentation method used, as well as on the user's manual procedure. The goal of this work is to describe and evaluate a new method that reduces the inaccuracies generally observed in the 2D contour definition and 3D volume reconstruction process. Methods and Materials: This new method has been developed by integrating the fuzziness in the 3D volume definition. It first defines semiautomatically a minimal 2D contour on each slice that definitely contains the volume and a maximal 2D contour that definitely does not contain the volume. The fuzziness region in between is processed using possibility functions in possibility theory. A volume of voxels, including the membership degree to the target volume, is then created on each slice axis, taking into account the slice position and slice profile. A resulting fuzzy volume is obtained after data fusion between multiorientation slices. Different studies have been designed to evaluate and compare this new method of target volume reconstruction and a classical reconstruction method. First, target definition accuracy and robustness were studied on phantom targets. Second, intra- and interobserver variations were studied on radiosurgery clinical cases. Results: The absolute volume errors are less than or equal to 1.5% for phantom volumes calculated by the fuzzy logic method, whereas the values obtained with the classical method are much larger than the actual volumes (absolute volume errors up to 72%). With increasing MRI slice thickness (1 mm to 8 mm), the phantom volumes calculated by the classical method are increasing exponentially with a maximum absolute error up to 300%. In contrast, the absolute volume errors are less than 12% for phantom

  20. Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design.

    Science.gov (United States)

    Du, Qi-Shi; Huang, Ri-Bo; Wei, Yu-Tuo; Pang, Zong-Wen; Du, Li-Qin; Chou, Kuo-Chen

    2009-01-30

    In cooperation with the fragment-based design a new drug design method, the so-called "fragment-based quantitative structure-activity relationship" (FB-QSAR) is proposed. The essence of the new method is that the molecular framework in a family of drug candidates are divided into several fragments according to their substitutes being investigated. The bioactivities of molecules are correlated with the physicochemical properties of the molecular fragments through two sets of coefficients in the linear free energy equations. One coefficient set is for the physicochemical properties and the other for the weight factors of the molecular fragments. Meanwhile, an iterative double least square (IDLS) technique is developed to solve the two sets of coefficients in a training data set alternately and iteratively. The IDLS technique is a feedback procedure with machine learning ability. The standard Two-dimensional quantitative structure-activity relationship (2D-QSAR) is a special case, in the FB-QSAR, when the whole molecule is treated as one entity. The FB-QSAR approach can remarkably enhance the predictive power and provide more structural insights into rational drug design. As an example, the FB-QSAR is applied to build a predictive model of neuraminidase inhibitors for drug development against H5N1 influenza virus. (c) 2008 Wiley Periodicals, Inc.

  1. An Integral Method and Its Application to Some Three-Dimensional Boundary-Layer Flows,

    Science.gov (United States)

    1979-07-18

    M. Scala Dr. H. Lew Mr. J. W. Faust A . Martellucci W. Daskin J. D. Cresswell J. B. Arnaiz L. A . Marshall J. Cassanto R. Hobbs C. Harris F. George P.O...RESEARCH AND TECHNOLOGY DEPARTMENT 18 JULY 1979 Approved for public release, distribution unlimited DTICEILECTE1 APR 2 5 1930,, A NAVAL SURFACE WEAPONS...TITLE (end Subtlle) S. TYPE OF REPORT A PERIOD COVERED I INVTEGRAL M.ETHOD AND ITS 4PPLICATION TO SSOME THREE-DIMENSIONAL BOUNDARY-LAYER FLOWS 6

  2. A method for real-time three-dimensional vector velocity imaging

    DEFF Research Database (Denmark)

    Jensen, Jørgen Arendt; Nikolov, Svetoslav

    2003-01-01

    The paper presents an approach for making real-time three-dimensional vector flow imaging. Synthetic aperture data acquisition is used, and the data is beamformed along the flow direction to yield signals usable for flow estimation. The signals are cross-related to determine the shift in position...... are done using 16 × 16 = 256 elements at a time and the received signals from the same elements are sampled. Access to the individual elements is done through 16-to-1 multiplexing, so that only a 256 channels transmitting and receiving system are needed. The method has been investigated using Field II...

  3. Three-dimensional analysis of eddy current with the finite element method

    International Nuclear Information System (INIS)

    Takano, Ichiro; Suzuki, Yasuo

    1977-05-01

    The finite element method is applied to three-dimensional analysis of eddy current induced in a large Tokamak device (JT-60). Two techniques to study the eddy current are presented: those of ordinary vector potential and modified vector potential. The latter is originally developed for decreasing dimension of the global matrix. Theoretical treatment of these two is given. The skin effect for alternate current flowing in the circular loop of rectangular cross section is examined as an example of the modified vector potential technique, and the result is compared with analytical one. This technique is useful in analysis of the eddy current problem. (auth.)

  4. Three-dimensional Reconstruction Method Study Based on Interferometric Circular SAR

    Directory of Open Access Journals (Sweden)

    Hou Liying

    2016-10-01

    Full Text Available Circular Synthetic Aperture Radar (CSAR can acquire targets’ scattering information in all directions by a 360° observation, but a single-track CSAR cannot efficiently obtain height scattering information for a strong directive scatter. In this study, we examine the typical target of the three-dimensional circular SAR interferometry theoryand validate the theory in a darkroom experiment. We present a 3D reconstruction of the actual tank metal model of interferometric CSAR for the first time, verify the validity of the method, and demonstrate the important potential applications of combining 3D reconstruction with omnidirectional observation.

  5. New method for thickness determination and microscopic imaging of graphene-like two-dimensional materials

    International Nuclear Information System (INIS)

    Qin Xudong; Chen Yonghai; Liu Yu; Zhu Laipan; Li Yuan; Wu Qing; Huang Wei

    2016-01-01

    We employed the microscopic reflectance difference spectroscopy (micro-RDS) to determine the layer-number and microscopically image the surface topography of graphene and MoS 2 samples. The contrast image shows the efficiency and reliability of this new clipping technique. As a low-cost, quantifiable, no-contact and non-destructive method, it is not concerned with the characteristic signal of certain materials and can be applied to arbitrary substrates. Therefore it is a perfect candidate for characterizing the thickness of graphene-like two-dimensional materials. (paper)

  6. Measurement Uncertainty Evaluation in Dimensional X-ray Computed Tomography Using the Bootstrap Method

    DEFF Research Database (Denmark)

    Hiller, Jochen; Genta, Gianfranco; Barbato, Giulio

    2014-01-01

    measurement processes, e.g., with tactile systems, also due to factors related to systematic errors, mainly caused by specific CT image characteristics. In this paper we propose a simulation-based framework for measurement uncertainty evaluation in dimensional CT using the bootstrap method. In a case study...... the problem concerning measurement uncertainties was addressed with bootstrap and successfully applied to ball-bar CT measurements. Results obtained enabled extension to more complex shapes such as actual industrial components as we show by tests on a hollow cylinder workpiece....

  7. The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Feng; Ren, Yinghui; Bian, Wensheng, E-mail: bian@iccas.ac.cn [Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of Chinese Academy of Sciences, Beijing 100049 (China)

    2016-08-21

    The accurate time-independent quantum dynamics calculations on the ground-state tunneling splitting of malonaldehyde in full dimensionality are reported for the first time. This is achieved with an efficient method developed by us. In our method, the basis functions are customized for the hydrogen transfer process which has the effect of greatly reducing the size of the final Hamiltonian matrix, and the Lanczos method and parallel strategy are used to further overcome the memory and central processing unit time bottlenecks. The obtained ground-state tunneling splitting of 24.5 cm{sup −1} is in excellent agreement with the benchmark value of 23.8 cm{sup −1} computed with the full-dimensional, multi-configurational time-dependent Hartree approach on the same potential energy surface, and we estimate that our reported value has an uncertainty of less than 0.5 cm{sup −1}. Moreover, the role of various vibrational modes strongly coupled to the hydrogen transfer process is revealed.

  8. Analysis of fracture surface of CFRP material by three-dimensional reconstruction methods

    International Nuclear Information System (INIS)

    Lobo, Raquel M.; Andrade, Arnaldo H.P.

    2009-01-01

    Fracture surfaces of CFRP (carbon Fiber Reinforced Polymer) materials, used in the nuclear fuel cycle, presents an elevated roughness, mainly due to the fracture mode known as pulling out, that displays pieces of carbon fibers after debonding between fiber and matrix. The fractographic analysis, by bi-dimensional images is deficient for not considering the so important vertical resolution as much as the horizontal resolution. In this case, the knowledge of this heights distribution that occurs during the breaking, can lead to the calculation of the involved energies in the process that would allows a better agreement on the fracture mechanisms of the composite material. An important solution for the material characterization, whose surface presents a high roughness due to the variation in height, is to reconstruct three-dimensionally these fracture surfaces. In this work, the 3D reconstruction was done by two different methods: the variable focus reconstruction, through a stack of images obtained by optical microscopy (OM) and the parallax reconstruction, carried through with images acquired by scanning electron microscopy (SEM). The results of both methods present an elevation map of the reconstructed image that determine the height of the surface pixel by pixel,. The results obtained by the methods of reconstruction for the CFRP surfaces, have been compared with others materials such as aluminum and copper that present a ductile type fracture surface, with lower roughness. (author)

  9. Development of a particle method of characteristics (PMOC) for one-dimensional shock waves

    Science.gov (United States)

    Hwang, Y.-H.

    2018-03-01

    In the present study, a particle method of characteristics is put forward to simulate the evolution of one-dimensional shock waves in barotropic gaseous, closed-conduit, open-channel, and two-phase flows. All these flow phenomena can be described with the same set of governing equations. The proposed scheme is established based on the characteristic equations and formulated by assigning the computational particles to move along the characteristic curves. Both the right- and left-running characteristics are traced and represented by their associated computational particles. It inherits the computational merits from the conventional method of characteristics (MOC) and moving particle method, but without their individual deficiencies. In addition, special particles with dual states deduced to the enforcement of the Rankine-Hugoniot relation are deliberately imposed to emulate the shock structure. Numerical tests are carried out by solving some benchmark problems, and the computational results are compared with available analytical solutions. From the derivation procedure and obtained computational results, it is concluded that the proposed PMOC will be a useful tool to replicate one-dimensional shock waves.

  10. Finite element method for one-dimensional rill erosion simulation on a curved slope

    Directory of Open Access Journals (Sweden)

    Lijuan Yan

    2015-03-01

    Full Text Available Rill erosion models are important to hillslope soil erosion prediction and to land use planning. The development of rill erosion models and their use has become increasingly of great concern. The purpose of this research was to develop mathematic models with computer simulation procedures to simulate and predict rill erosion. The finite element method is known as an efficient tool in many other applications than in rill soil erosion. In this study, the hydrodynamic and sediment continuity model equations for a rill erosion system were solved by the Galerkin finite element method and Visual C++ procedures. The simulated results are compared with the data for spatially and temporally measured processes for rill erosion under different conditions. The results indicate that the one-dimensional linear finite element method produced excellent predictions of rill erosion processes. Therefore, this study supplies a tool for further development of a dynamic soil erosion prediction model.

  11. Resolution of the neutron transport equation by a three-dimensional least square method

    International Nuclear Information System (INIS)

    Varin, Elisabeth

    2001-01-01

    The knowledge of space and time distribution of neutrons with a certain energy or speed allows the exploitation and control of a nuclear reactor and the assessment of the irradiation dose about an irradiated nuclear fuel storage site. The neutron density is described by a transport equation. The objective of this research thesis is to develop a software for the resolution of this stationary equation in a three-dimensional Cartesian domain by means of a deterministic method. After a presentation of the transport equation, the author gives an overview of the different deterministic resolution approaches, identifies their benefits and drawbacks, and discusses the choice of the Ressel method. The least square method is precisely described and then applied. Numerical benchmarks are reported for validation purposes

  12. Numerical solution of multi group-Two dimensional- Adjoint equation with finite element method

    International Nuclear Information System (INIS)

    Poursalehi, N.; Khalafi, H.; Shahriari, M.; Minoochehr

    2008-01-01

    Adjoint equation is used for perturbation theory in nuclear reactor design. For numerical solution of adjoint equation, usually two methods are applied. These are Finite Element and Finite Difference procedures. Usually Finite Element Procedure is chosen for solving of adjoint equation, because it is more use able in variety of geometries. In this article, Galerkin Finite Element method is discussed. This method is applied for numerical solving multi group, multi region and two dimensional (X, Y) adjoint equation. Typical reactor geometry is partitioned with triangular meshes and boundary condition for adjoint flux is considered zero. Finally, for a case of defined parameters, Finite Element Code was applied and results were compared with Citation Code

  13. A new method of solution for one-dimensional quasi-neutral bounded plasmas

    Science.gov (United States)

    Kamran, M.; Kuhn, S.

    2010-08-01

    A new method is proposed for calculating the potential distribution Φ(z) in a one-dimensional quasi-neutral bounded plasma; Φ(z) is assumed to satisfy a quasi-neutrality condition (plasma equation) of the form ni{Φ(z)} = ne(Φ), where the electron density ne is a given function of Φ and the ion density ni is expressed in terms of trajectory integrals of the ion kinetic equation. While previous methods relied on formally solving a global integral equation (Riemann, Phys. Plasmas, vol. 13, 2006, paper no. 013503; Kos et al., Phys. Plasmas, vol. 16, 2009, paper no. 093503), the present method is characterized by piecewise analytic solution of the plasma equation in reasonably small intervals of z. As a first concrete application, Φ(z) is found analytically through order z4 near the center of a collisionless Tonks-Langmuir discharge with a cold-ion source.

  14. Multiple Attribute Group Decision-Making Methods Based on Trapezoidal Fuzzy Two-Dimensional Linguistic Partitioned Bonferroni Mean Aggregation Operators.

    Science.gov (United States)

    Yin, Kedong; Yang, Benshuo; Li, Xuemei

    2018-01-24

    In this paper, we investigate multiple attribute group decision making (MAGDM) problems where decision makers represent their evaluation of alternatives by trapezoidal fuzzy two-dimensional uncertain linguistic variable. To begin with, we introduce the definition, properties, expectation, operational laws of trapezoidal fuzzy two-dimensional linguistic information. Then, to improve the accuracy of decision making in some case where there are a sort of interrelationship among the attributes, we analyze partition Bonferroni mean (PBM) operator in trapezoidal fuzzy two-dimensional variable environment and develop two operators: trapezoidal fuzzy two-dimensional linguistic partitioned Bonferroni mean (TF2DLPBM) aggregation operator and trapezoidal fuzzy two-dimensional linguistic weighted partitioned Bonferroni mean (TF2DLWPBM) aggregation operator. Furthermore, we develop a novel method to solve MAGDM problems based on TF2DLWPBM aggregation operator. Finally, a practical example is presented to illustrate the effectiveness of this method and analyses the impact of different parameters on the results of decision-making.

  15. A demonstration of adjoint methods for multi-dimensional remote sensing of the atmosphere and surface

    Science.gov (United States)

    Martin, William G. K.; Hasekamp, Otto P.

    2018-01-01

    In previous work, we derived the adjoint method as a computationally efficient path to three-dimensional (3D) retrievals of clouds and aerosols. In this paper we will demonstrate the use of adjoint methods for retrieving two-dimensional (2D) fields of cloud extinction. The demonstration uses a new 2D radiative transfer solver (FSDOM). This radiation code was augmented with adjoint methods to allow efficient derivative calculations needed to retrieve cloud and surface properties from multi-angle reflectance measurements. The code was then used in three synthetic retrieval studies. Our retrieval algorithm adjusts the cloud extinction field and surface albedo to minimize the measurement misfit function with a gradient-based, quasi-Newton approach. At each step we compute the value of the misfit function and its gradient with two calls to the solver FSDOM. First we solve the forward radiative transfer equation to compute the residual misfit with measurements, and second we solve the adjoint radiative transfer equation to compute the gradient of the misfit function with respect to all unknowns. The synthetic retrieval studies verify that adjoint methods are scalable to retrieval problems with many measurements and unknowns. We can retrieve the vertically-integrated optical depth of moderately thick clouds as a function of the horizontal coordinate. It is also possible to retrieve the vertical profile of clouds that are separated by clear regions. The vertical profile retrievals improve for smaller cloud fractions. This leads to the conclusion that cloud edges actually increase the amount of information that is available for retrieving the vertical profile of clouds. However, to exploit this information one must retrieve the horizontally heterogeneous cloud properties with a 2D (or 3D) model. This prototype shows that adjoint methods can efficiently compute the gradient of the misfit function. This work paves the way for the application of similar methods to 3D remote

  16. Application of Symmetry Adapted Function Method for Three-Dimensional Reconstruction of Octahedral Biological Macromolecules

    Directory of Open Access Journals (Sweden)

    Songjun Zeng

    2010-01-01

    Full Text Available A method for three-dimensional (3D reconstruction of macromolecule assembles, that is, octahedral symmetrical adapted functions (OSAFs method, was introduced in this paper and a series of formulations for reconstruction by OSAF method were derived. To verify the feasibility and advantages of the method, two octahedral symmetrical macromolecules, that is, heat shock protein Degp24 and the Red-cell L Ferritin, were utilized as examples to implement reconstruction by the OSAF method. The schedule for simulation was designed as follows: 2000 random orientated projections of single particles with predefined Euler angles and centers of origins were generated, then different levels of noises that is signal-to-noise ratio (S/N =0.1,0.5, and 0.8 were added. The structures reconstructed by the OSAF method were in good agreement with the standard models and the relative errors of the structures reconstructed by the OSAF method to standard structures were very little even for high level noise. The facts mentioned above account for that the OSAF method is feasible and efficient approach to reconstruct structures of macromolecules and have ability to suppress the influence of noise.

  17. A Novel Medical Freehand Sketch 3D Model Retrieval Method by Dimensionality Reduction and Feature Vector Transformation

    Directory of Open Access Journals (Sweden)

    Zhang Jing

    2016-01-01

    Full Text Available To assist physicians to quickly find the required 3D model from the mass medical model, we propose a novel retrieval method, called DRFVT, which combines the characteristics of dimensionality reduction (DR and feature vector transformation (FVT method. The DR method reduces the dimensionality of feature vector; only the top M low frequency Discrete Fourier Transform coefficients are retained. The FVT method does the transformation of the original feature vector and generates a new feature vector to solve the problem of noise sensitivity. The experiment results demonstrate that the DRFVT method achieves more effective and efficient retrieval results than other proposed methods.

  18. Development of spectral history methods for pin-by-pin core analysis method using three-dimensional direct response matrix

    International Nuclear Information System (INIS)

    Mitsuyasu, T.; Ishii, K.; Hino, T.; Aoyama, M.

    2009-01-01

    Spectral history methods for pin-by-pin core analysis method using the three-dimensional direct response matrix have been developed. The direct response matrix is formalized by four sub-response matrices in order to respond to a core eigenvalue k and thus can be recomposed at each outer iteration in the core analysis. For core analysis, it is necessary to take into account the burn-up effect related to spectral history. One of the methods is to evaluate the nodal burn-up spectrum obtained using the out-going neutron current. The other is to correct the fuel rod neutron production rates obtained the pin-by-pin correction. These spectral history methods were tested in a heterogeneous system. The test results show that the neutron multiplication factor error can be reduced by half during burn-up, the nodal neutron production rates errors can be reduced by 30% or more. The root-mean-square differences between the relative fuel rod neutron production rate distributions can be reduced within 1.1% error. This means that these methods can accurately reflect the effects of intra- and inter-assembly heterogeneities during burn-up and can be used for core analysis. Core analysis with the DRM method was carried out for an ABWR quarter core and it was found that both thermal power and coolant-flow distributions were smoothly converged. (authors)

  19. Experimental study on two-dimensional film flow with local measurement methods

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Jin-Hwa, E-mail: evo03@snu.ac.kr [Nuclear Thermal-Hydraulic Engineering Laboratory, Seoul National University, Gwanak 599, Gwanak-ro, Gwanak-gu, Seoul 151-742 (Korea, Republic of); Korea Atomic Energy Research Institute, 989-111, Daedeok-daero, Yuseong-gu, Daejeon 305-600 (Korea, Republic of); Cho, Hyoung-Kyu [Nuclear Thermal-Hydraulic Engineering Laboratory, Seoul National University, Gwanak 599, Gwanak-ro, Gwanak-gu, Seoul 151-742 (Korea, Republic of); Kim, Seok [Korea Atomic Energy Research Institute, 989-111, Daedeok-daero, Yuseong-gu, Daejeon 305-600 (Korea, Republic of); Euh, Dong-Jin, E-mail: djeuh@kaeri.re.kr [Korea Atomic Energy Research Institute, 989-111, Daedeok-daero, Yuseong-gu, Daejeon 305-600 (Korea, Republic of); Park, Goon-Cherl [Nuclear Thermal-Hydraulic Engineering Laboratory, Seoul National University, Gwanak 599, Gwanak-ro, Gwanak-gu, Seoul 151-742 (Korea, Republic of)

    2015-12-01

    Highlights: • An experimental study on the two-dimensional film flow with lateral air injection was performed. • The ultrasonic thickness gauge was used to measure the local liquid film thickness. • The depth-averaged PIV (Particle Image Velocimetry) method was applied to measure the local liquid film velocity. • The uncertainty of the depth-averaged PIV was quantified with a validation experiment. • Characteristics of two-dimensional film flow were classified following the four different flow patterns. - Abstract: In an accident condition of a nuclear reactor, multidimensional two-phase flows may occur in the reactor vessel downcomer and reactor core. Therefore, those have been regarded as important issues for an advanced thermal-hydraulic safety analysis. In particular, the multi-dimensional two-phase flow in the upper downcomer during the reflood phase of large break loss of coolant accident appears with an interaction between a downward liquid and a transverse gas flow, which determines the bypass flow rate of the emergency core coolant and subsequently, the reflood coolant flow rate. At present, some thermal-hydraulic analysis codes incorporate multidimensional modules for the nuclear reactor safety analysis. However, their prediction capability for the two-phase cross flow in the upper downcomer has not been validated sufficiently against experimental data based on local measurements. For this reason, an experimental study was carried out for the two-phase cross flow to clarify the hydraulic phenomenon and provide local measurement data for the validation of the computational tools. The experiment was performed in a 1/10 scale unfolded downcomer of Advanced Power Reactor 1400 (APR1400). Pitot tubes, a depth-averaged PIV method and ultrasonic thickness gauge were applied for local measurement of the air velocity, the liquid film velocity and the liquid film thickness, respectively. The uncertainty of the depth-averaged PIV method for the averaged

  20. Experimental study on two-dimensional film flow with local measurement methods

    International Nuclear Information System (INIS)

    Yang, Jin-Hwa; Cho, Hyoung-Kyu; Kim, Seok; Euh, Dong-Jin; Park, Goon-Cherl

    2015-01-01

    Highlights: • An experimental study on the two-dimensional film flow with lateral air injection was performed. • The ultrasonic thickness gauge was used to measure the local liquid film thickness. • The depth-averaged PIV (Particle Image Velocimetry) method was applied to measure the local liquid film velocity. • The uncertainty of the depth-averaged PIV was quantified with a validation experiment. • Characteristics of two-dimensional film flow were classified following the four different flow patterns. - Abstract: In an accident condition of a nuclear reactor, multidimensional two-phase flows may occur in the reactor vessel downcomer and reactor core. Therefore, those have been regarded as important issues for an advanced thermal-hydraulic safety analysis. In particular, the multi-dimensional two-phase flow in the upper downcomer during the reflood phase of large break loss of coolant accident appears with an interaction between a downward liquid and a transverse gas flow, which determines the bypass flow rate of the emergency core coolant and subsequently, the reflood coolant flow rate. At present, some thermal-hydraulic analysis codes incorporate multidimensional modules for the nuclear reactor safety analysis. However, their prediction capability for the two-phase cross flow in the upper downcomer has not been validated sufficiently against experimental data based on local measurements. For this reason, an experimental study was carried out for the two-phase cross flow to clarify the hydraulic phenomenon and provide local measurement data for the validation of the computational tools. The experiment was performed in a 1/10 scale unfolded downcomer of Advanced Power Reactor 1400 (APR1400). Pitot tubes, a depth-averaged PIV method and ultrasonic thickness gauge were applied for local measurement of the air velocity, the liquid film velocity and the liquid film thickness, respectively. The uncertainty of the depth-averaged PIV method for the averaged

  1. Generating Lie Point Symmetry Groups of (2+1)-Dimensional Broer-Kaup Equation via a Simple Direct Method

    International Nuclear Information System (INIS)

    Ma Hongcai

    2005-01-01

    Using the (2+1)-dimensional Broer-Kaup equation as an simple example, a new direct method is developed to find symmetry groups and symmetry algebras and then exact solutions of nonlinear mathematical physical equations.

  2. Automatic registration method for multisensor datasets adopted for dimensional measurements on cutting tools

    International Nuclear Information System (INIS)

    Shaw, L; Mehari, F; Weckenmann, A; Ettl, S; Häusler, G

    2013-01-01

    Multisensor systems with optical 3D sensors are frequently employed to capture complete surface information by measuring workpieces from different views. During coarse and fine registration the resulting datasets are afterward transformed into one common coordinate system. Automatic fine registration methods are well established in dimensional metrology, whereas there is a deficit in automatic coarse registration methods. The advantage of a fully automatic registration procedure is twofold: it enables a fast and contact-free alignment and further a flexible application to datasets of any kind of optical 3D sensor. In this paper, an algorithm adapted for a robust automatic coarse registration is presented. The method was originally developed for the field of object reconstruction or localization. It is based on a segmentation of planes in the datasets to calculate the transformation parameters. The rotation is defined by the normals of three corresponding segmented planes of two overlapping datasets, while the translation is calculated via the intersection point of the segmented planes. First results have shown that the translation is strongly shape dependent: 3D data of objects with non-orthogonal planar flanks cannot be registered with the current method. In the novel supplement for the algorithm, the translation is additionally calculated via the distance between centroids of corresponding segmented planes, which results in more than one option for the transformation. A newly introduced measure considering the distance between the datasets after coarse registration evaluates the best possible transformation. Results of the robust automatic registration method are presented on the example of datasets taken from a cutting tool with a fringe-projection system and a focus-variation system. The successful application in dimensional metrology is proven with evaluations of shape parameters based on the registered datasets of a calibrated workpiece. (paper)

  3. METHOD FOR OPTIMAL RESOLUTION OF MULTI-AIRCRAFT CONFLICTS IN THREE-DIMENSIONAL SPACE

    Directory of Open Access Journals (Sweden)

    Denys Vasyliev

    2017-03-01

    Full Text Available Purpose: The risk of critical proximities of several aircraft and appearance of multi-aircraft conflicts increases under current conditions of high dynamics and density of air traffic. The actual problem is a development of methods for optimal multi-aircraft conflicts resolution that should provide the synthesis of conflict-free trajectories in three-dimensional space. Methods: The method for optimal resolution of multi-aircraft conflicts using heading, speed and altitude change maneuvers has been developed. Optimality criteria are flight regularity, flight economy and the complexity of maneuvering. Method provides the sequential synthesis of the Pareto-optimal set of combinations of conflict-free flight trajectories using multi-objective dynamic programming and selection of optimal combination using the convolution of optimality criteria. Within described method the following are defined: the procedure for determination of combinations of aircraft conflict-free states that define the combinations of Pareto-optimal trajectories; the limitations on discretization of conflict resolution process for ensuring the absence of unobservable separation violations. Results: The analysis of the proposed method is performed using computer simulation which results show that synthesized combination of conflict-free trajectories ensures the multi-aircraft conflict avoidance and complies with defined optimality criteria. Discussion: Proposed method can be used for development of new automated air traffic control systems, airborne collision avoidance systems, intelligent air traffic control simulators and for research activities.

  4. Determination of the amounts of C, CH, CH/sub 2/, and CH fragments by the spin echo method

    Energy Technology Data Exchange (ETDEWEB)

    Polonov, V.M.; Kalabin, G.A.; Kushnarev, D.F.; Latyshev, V.P.

    1984-01-01

    A new method has been developed for the quantitative determination of the amounts of primary, secondary, tertiary, and quaternary carbon atoms in soluble products of coal origin which is based on pulsed sequence of /sup 13/C NMR spin echo.

  5. New exact solutions of (2 + 1)-dimensional Gardner equation via the new sine-Gordon equation expansion method

    International Nuclear Information System (INIS)

    Chen Yong; Yan Zhenya

    2005-01-01

    In this paper (2 + 1)-dimensional Gardner equation is investigated using a sine-Gordon equation expansion method, which was presented via a generalized sine-Gordon reduction equation and a new transformation. As a consequence, it is shown that the method is more powerful to obtain many types of new doubly periodic solutions of (2 + 1)-dimensional Gardner equation. In particular, solitary wave solutions are also given as simple limits of doubly periodic solutions

  6. A Feature Subset Selection Method Based On High-Dimensional Mutual Information

    Directory of Open Access Journals (Sweden)

    Chee Keong Kwoh

    2011-04-01

    Full Text Available Feature selection is an important step in building accurate classifiers and provides better understanding of the data sets. In this paper, we propose a feature subset selection method based on high-dimensional mutual information. We also propose to use the entropy of the class attribute as a criterion to determine the appropriate subset of features when building classifiers. We prove that if the mutual information between a feature set X and the class attribute Y equals to the entropy of Y , then X is a Markov Blanket of Y . We show that in some cases, it is infeasible to approximate the high-dimensional mutual information with algebraic combinations of pairwise mutual information in any forms. In addition, the exhaustive searches of all combinations of features are prerequisite for finding the optimal feature subsets for classifying these kinds of data sets. We show that our approach outperforms existing filter feature subset selection methods for most of the 24 selected benchmark data sets.

  7. Capturing method for integral three-dimensional imaging using multiviewpoint robotic cameras

    Science.gov (United States)

    Ikeya, Kensuke; Arai, Jun; Mishina, Tomoyuki; Yamaguchi, Masahiro

    2018-03-01

    Integral three-dimensional (3-D) technology for next-generation 3-D television must be able to capture dynamic moving subjects with pan, tilt, and zoom camerawork as good as in current TV program production. We propose a capturing method for integral 3-D imaging using multiviewpoint robotic cameras. The cameras are controlled through a cooperative synchronous system composed of a master camera controlled by a camera operator and other reference cameras that are utilized for 3-D reconstruction. When the operator captures a subject using the master camera, the region reproduced by the integral 3-D display is regulated in real space according to the subject's position and view angle of the master camera. Using the cooperative control function, the reference cameras can capture images at the narrowest view angle that does not lose any part of the object region, thereby maximizing the resolution of the image. 3-D models are reconstructed by estimating the depth from complementary multiviewpoint images captured by robotic cameras arranged in a two-dimensional array. The model is converted into elemental images to generate the integral 3-D images. In experiments, we reconstructed integral 3-D images of karate players and confirmed that the proposed method satisfied the above requirements.

  8. An Improved Ensemble Learning Method for Classifying High-Dimensional and Imbalanced Biomedicine Data.

    Science.gov (United States)

    Yu, Hualong; Ni, Jun

    2014-01-01

    Training classifiers on skewed data can be technically challenging tasks, especially if the data is high-dimensional simultaneously, the tasks can become more difficult. In biomedicine field, skewed data type often appears. In this study, we try to deal with this problem by combining asymmetric bagging ensemble classifier (asBagging) that has been presented in previous work and an improved random subspace (RS) generation strategy that is called feature subspace (FSS). Specifically, FSS is a novel method to promote the balance level between accuracy and diversity of base classifiers in asBagging. In view of the strong generalization capability of support vector machine (SVM), we adopt it to be base classifier. Extensive experiments on four benchmark biomedicine data sets indicate that the proposed ensemble learning method outperforms many baseline approaches in terms of Accuracy, F-measure, G-mean and AUC evaluation criterions, thus it can be regarded as an effective and efficient tool to deal with high-dimensional and imbalanced biomedical data.

  9. Hydrazine-hydrothermal method to synthesize three-dimensional chalcogenide framework for photocatalytic hydrogen generation

    International Nuclear Information System (INIS)

    Liu Yi; Kanhere, Pushkar D.; Wong, Chui Ling; Tian Yuefeng; Feng Yuhua; Boey, Freddy; Wu, Tom; Chen Hongyu; White, Tim J.; Chen Zhong; Zhang Qichun

    2010-01-01

    A novel chalcogenide, [Mn 2 Sb 2 S 5 (N 2 H 4 ) 3 ] (1), has been synthesized by the hydrazine-hydrothermal method. X-ray crystallography study reveals that the new compound 1 crystallizes in space group P1-bar (no. 2) of the triclinic system. The structure features an open neutral three-dimensional framework, where two-dimensional mesh-like inorganic layers are bridged by intra- and inter-layer hydrazine ligands. Both two Mn1 and Mn2 sites adopt distorted octahedral coordination. While two Sb1 and Sb2 sites exhibit two different coordination geometries, the Sb1 site is coordinated with three S atoms to generate a SbS 3 trigonal-pyramidal geometry, and the Sb2 site adopts a SbS 4 trigonal bipyramidal coordination geometry. It has an optical band gap of about ∼2.09 eV, which was deduced from the diffuse reflectance spectrum, and displays photocatalytic behaviors under visible light irradiation. Magnetic susceptibility measurements show compound 1 obeys the Curie-Weiss law in the range of 50-300 K. -- Graphical abstract: A novel chalcogenide, [Mn 2 Sb 2 S 5 (N 2 H 4 ) 3 ] (1), synthesized by hydrazine-hydrothermal method, has a band gap of about ∼2.09 eV and displays photocatalytic behaviors under visible light irradiation. Display Omitted

  10. Physical properties of root cementum: Part I. A new method for 3-dimensional evaluation.

    Science.gov (United States)

    Malek, S; Darendeliler, M A; Swain, M V

    2001-08-01

    Cementum is a nonuniform connective tissue that covers the roots of human teeth. Investigation of the physical properties of cementum may help in understanding or evaluating any possible connection to root resorption. A variety of engineering tests are available to investigate these properties. However, the thickness of the cementum layer varies, and this limits the applicability of these techniques in determining the physical properties of cementum. Hardness testing with Knoop and Vickers indentations overcame some of these limitations, but they prohibited the retrieval and retesting of the sample and therefore the testing was restricted to one area or section of the tooth. Another limiting factor with the existing techniques was the risk of artifacts related to the embedding material such as acrylic. A new method to investigate the physical properties of human premolar cementum was developed to obtain a 3-dimensional map of these properties with the Ultra Micro Indentation System (UMIS-2000; Commonwealth Scientific and Industrial Research Organization, Campbell, Australia). UMIS-2000 is a nano-indentation instrument for investigation of the properties of the near-surface region of materials. Premolars were harvested from orthodontic patients requiring extractions and then mounted on a newly designed surveyor that allowed sample retrieval and 3-dimensional rotation. This novel method enabled the quantitative testing of root surface cementum, on all 4 root surfaces, extending from the apex to the cementoenamel junction at 60 different sites.

  11. Assessing the accuracy and reliability of ultrasonographic three-dimensional parathyroid volume measurement in a patient with secondary hyperparathyroidism: a comparison with the two-dimensional conventional method

    Directory of Open Access Journals (Sweden)

    Sung-Hye You

    2017-01-01

    Full Text Available Purpose The purpose of this study was to investigate the accuracy and reliability of the semi-automated ultrasonographic volume measurement tool, virtual organ computer-aided analysis (VOCAL, for measuring the volume of parathyroid glands. Methods Volume measurements for 40 parathyroid glands were performed in patients with secondary hyperparathyroidism caused by chronic renal failure. The volume of the parathyroid glands was measured twice by experienced radiologists by two-dimensional (2D and three-dimensional (3D methods using conventional sonograms and the VOCAL with 30°angle increments before parathyroidectomy. The specimen volume was also measured postoperatively. Intraclass correlation coefficients (ICCs and the absolute percentage error were used for estimating the reproducibility and accuracy of the two different methods. Results The ICC value between two measurements of the 2D method and the 3D method was 0.956 and 0.999, respectively. The mean absolute percentage error of the 2D method and the 3D VOCAL technique was 29.56% and 5.78%, respectively. For accuracy and reliability, the plots of the 3D method showed a more compact distribution than those of the 2D method on the Bland-Altman graph. Conclusion The rotational VOCAL method for measuring the parathyroid gland is more accurate and reliable than the conventional 2D measurement. This VOCAL method could be used as a more reliable follow-up imaging modality in a patient with hyperparathyroidism.

  12. Estimation Methods for Infinite-Dimensional Systems Applied to the Hemodynamic Response in the Brain

    KAUST Repository

    Belkhatir, Zehor

    2018-05-01

    Infinite-Dimensional Systems (IDSs) which have been made possible by recent advances in mathematical and computational tools can be used to model complex real phenomena. However, due to physical, economic, or stringent non-invasive constraints on real systems, the underlying characteristics for mathematical models in general (and IDSs in particular) are often missing or subject to uncertainty. Therefore, developing efficient estimation techniques to extract missing pieces of information from available measurements is essential. The human brain is an example of IDSs with severe constraints on information collection from controlled experiments and invasive sensors. Investigating the intriguing modeling potential of the brain is, in fact, the main motivation for this work. Here, we will characterize the hemodynamic behavior of the brain using functional magnetic resonance imaging data. In this regard, we propose efficient estimation methods for two classes of IDSs, namely Partial Differential Equations (PDEs) and Fractional Differential Equations (FDEs). This work is divided into two parts. The first part addresses the joint estimation problem of the state, parameters, and input for a coupled second-order hyperbolic PDE and an infinite-dimensional ordinary differential equation using sampled-in-space measurements. Two estimation techniques are proposed: a Kalman-based algorithm that relies on a reduced finite-dimensional model of the IDS, and an infinite-dimensional adaptive estimator whose convergence proof is based on the Lyapunov approach. We study and discuss the identifiability of the unknown variables for both cases. The second part contributes to the development of estimation methods for FDEs where major challenges arise in estimating fractional differentiation orders and non-smooth pointwise inputs. First, we propose a fractional high-order sliding mode observer to jointly estimate the pseudo-state and input of commensurate FDEs. Second, we propose a

  13. A three-dimensional polarization domain retrieval method from electron diffraction data

    International Nuclear Information System (INIS)

    Pennington, Robert S.; Koch, Christoph T.

    2015-01-01

    We present an algorithm for retrieving three-dimensional domains of picometer-scale shifts in atomic positions from electron diffraction data, and apply it to simulations of ferroelectric polarization in BaTiO 3 . Our algorithm successfully and correctly retrieves polarization domains in which the Ti atom positions differ by less than 3 pm (0.4% of the unit cell diagonal distance) with 5 and 10 nm depth resolution along the beam direction, and we also retrieve unit cell strain, corresponding to tetragonal-to-cubic unit cell distortions, for 10 nm domains. Experimental applicability is also discussed. - Highlights: • We show a retrieval method for ferroelectric polarization from TEM diffraction data. • Simulated strain and polarization variations along the beam direction are retrieved. • This method can be used for 3D strain and polarization mapping without specimen tilt

  14. Numerical method for three dimensional steady-state two-phase flow calculations

    International Nuclear Information System (INIS)

    Raymond, P.; Toumi, I.

    1992-01-01

    This paper presents the numerical scheme which was developed for the FLICA-4 computer code to calculate three dimensional steady state two phase flows. This computer code is devoted to steady state and transient thermal hydraulics analysis of nuclear reactor cores 1,3 . The first section briefly describes the FLICA-4 flow modelling. Then in order to introduce the numerical method for steady state computations, some details are given about the implicit numerical scheme based upon an approximate Riemann solver which was developed for calculation of flow transients. The third section deals with the numerical method for steady state computations, which is derived from this previous general scheme and its optimization. We give some numerical results for steady state calculations and comparisons on required CPU time and memory for various meshing and linear system solvers

  15. Energy method for multi-dimensional balance laws with non-local dissipation

    KAUST Repository

    Duan, Renjun

    2010-06-01

    In this paper, we are concerned with a class of multi-dimensional balance laws with a non-local dissipative source which arise as simplified models for the hydrodynamics of radiating gases. At first we introduce the energy method in the setting of smooth perturbations and study the stability of constants states. Precisely, we use Fourier space analysis to quantify the energy dissipation rate and recover the optimal time-decay estimates for perturbed solutions via an interpolation inequality in Fourier space. As application, the developed energy method is used to prove stability of smooth planar waves in all dimensions n2, and also to show existence and stability of time-periodic solutions in the presence of the time-periodic source. Optimal rates of convergence of solutions towards the planar waves or time-periodic states are also shown provided initially L1-perturbations. © 2009 Elsevier Masson SAS.

  16. A quasi-3-dimensional simulation method for a high-voltage level-shifting circuit structure

    International Nuclear Information System (INIS)

    Liu Jizhi; Chen Xingbi

    2009-01-01

    A new quasi-three-dimensional (quasi-3D) numeric simulation method for a high-voltage level-shifting circuit structure is proposed. The performances of the 3D structure are analyzed by combining some 2D device structures; the 2D devices are in two planes perpendicular to each other and to the surface of the semiconductor. In comparison with Davinci, the full 3D device simulation tool, the quasi-3D simulation method can give results for the potential and current distribution of the 3D high-voltage level-shifting circuit structure with appropriate accuracy and the total CPU time for simulation is significantly reduced. The quasi-3D simulation technique can be used in many cases with advantages such as saving computing time, making no demands on the high-end computer terminals, and being easy to operate. (semiconductor integrated circuits)

  17. A quasi-3-dimensional simulation method for a high-voltage level-shifting circuit structure

    Energy Technology Data Exchange (ETDEWEB)

    Liu Jizhi; Chen Xingbi, E-mail: jzhliu@uestc.edu.c [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2009-12-15

    A new quasi-three-dimensional (quasi-3D) numeric simulation method for a high-voltage level-shifting circuit structure is proposed. The performances of the 3D structure are analyzed by combining some 2D device structures; the 2D devices are in two planes perpendicular to each other and to the surface of the semiconductor. In comparison with Davinci, the full 3D device simulation tool, the quasi-3D simulation method can give results for the potential and current distribution of the 3D high-voltage level-shifting circuit structure with appropriate accuracy and the total CPU time for simulation is significantly reduced. The quasi-3D simulation technique can be used in many cases with advantages such as saving computing time, making no demands on the high-end computer terminals, and being easy to operate. (semiconductor integrated circuits)

  18. Viscosity of confined two-dimensional Yukawa liquids: A nonequilibrium method

    International Nuclear Information System (INIS)

    Landmann, S.; Kählert, H.; Thomsen, H.; Bonitz, M.

    2015-01-01

    We present a nonequilibrium method that allows one to determine the viscosity of two-dimensional dust clusters in an isotropic confinement. By applying a tangential external force to the outer parts of the cluster (e.g., with lasers), a sheared velocity profile is created. The decay of the angular velocity towards the center of the confinement potential is determined by a balance between internal (viscosity) and external friction (neutral gas damping). The viscosity can then be calculated from a fit of the measured velocity profile to a solution of the Navier-Stokes equation. Langevin dynamics simulations are used to demonstrate the feasibility of the method. We find good agreement of the measured viscosity with previous results for macroscopic Yukawa plasmas

  19. Application of synthesis methods to two-dimensional fast reactor transient study

    International Nuclear Information System (INIS)

    Izutsu, Sadayuki; Hirakawa, Naohiro

    1978-01-01

    Space time synthesis and time synthesis codes were developed and applied to the space-dependent kinetics benchmark problem of a two-dimensional fast reactor model, and it was found both methods are accurate and economical for the fast reactor kinetics study. Comparison between the space time synthesis and the time synthesis was made. Also, in space time synthesis, the influence of the number of trial functions on the error and on the computing time and the effect of degeneration of expansion coefficients are investigated. The matrix factorization method is applied to the inversion of the matrix equation derived from the synthesis equation, and it is indicated that by the use of this scheme space-dependent kinetics problem of a fast reactor can be solved efficiently by space time synthesis. (auth.)

  20. Method for the determination of the three-dimensional structure of ultrashort relativistic electron bunches

    Energy Technology Data Exchange (ETDEWEB)

    Geloni, Gianluca; Ilinski, Petr; Saldin, Evgeni; Schneidmiller, Evgeni; Yurkov, Mikhail

    2009-05-15

    We describe a novel technique to characterize ultrashort electron bunches in Xray Free-Electron Lasers. Namely, we propose to use coherent Optical Transition Radiation to measure three-dimensional (3D) electron density distributions. Our method relies on the combination of two known diagnostics setups, an Optical Replica Synthesizer (ORS) and an Optical Transition Radiation (OTR) imager. Electron bunches are modulated at optical wavelengths in the ORS setup.When these electron bunches pass through a metal foil target, coherent radiation pulses of tens MW power are generated. It is thereafter possible to exploit advantages of coherent imaging techniques, such as direct imaging, diffractive imaging, Fourier holography and their combinations. The proposed method opens up the possibility of real-time, wavelength-limited, single-shot 3D imaging of an ultrashort electron bunch. (orig.)

  1. Three-Dimensional Navier-Stokes Calculations Using the Modified Space-Time CESE Method

    Science.gov (United States)

    Chang, Chau-lyan

    2007-01-01

    The space-time conservation element solution element (CESE) method is modified to address the robustness issues of high-aspect-ratio, viscous, near-wall meshes. In this new approach, the dependent variable gradients are evaluated using element edges and the corresponding neighboring solution elements while keeping the original flux integration procedure intact. As such, the excellent flux conservation property is retained and the new edge-based gradients evaluation significantly improves the robustness for high-aspect ratio meshes frequently encountered in three-dimensional, Navier-Stokes calculations. The order of accuracy of the proposed method is demonstrated for oblique acoustic wave propagation, shock-wave interaction, and hypersonic flows over a blunt body. The confirmed second-order convergence along with the enhanced robustness in handling hypersonic blunt body flow calculations makes the proposed approach a very competitive CFD framework for 3D Navier-Stokes simulations.

  2. Energy method for multi-dimensional balance laws with non-local dissipation

    KAUST Repository

    Duan, Renjun; Fellner, Klemens; Zhu, Changjiang

    2010-01-01

    In this paper, we are concerned with a class of multi-dimensional balance laws with a non-local dissipative source which arise as simplified models for the hydrodynamics of radiating gases. At first we introduce the energy method in the setting of smooth perturbations and study the stability of constants states. Precisely, we use Fourier space analysis to quantify the energy dissipation rate and recover the optimal time-decay estimates for perturbed solutions via an interpolation inequality in Fourier space. As application, the developed energy method is used to prove stability of smooth planar waves in all dimensions n2, and also to show existence and stability of time-periodic solutions in the presence of the time-periodic source. Optimal rates of convergence of solutions towards the planar waves or time-periodic states are also shown provided initially L1-perturbations. © 2009 Elsevier Masson SAS.

  3. Three-dimensional multiple reciprocity boundary element method for one-group neutron diffusion eigenvalue computations

    International Nuclear Information System (INIS)

    Itagaki, Masafumi; Sahashi, Naoki.

    1996-01-01

    The multiple reciprocity method (MRM) in conjunction with the boundary element method has been employed to solve one-group eigenvalue problems described by the three-dimensional (3-D) neutron diffusion equation. The domain integral related to the fission source is transformed into a series of boundary-only integrals, with the aid of the higher order fundamental solutions based on the spherical and the modified spherical Bessel functions. Since each degree of the higher order fundamental solutions in the 3-D cases has a singularity of order (1/r), the above series of boundary integrals requires additional terms which do not appear in the 2-D MRM formulation. The critical eigenvalue itself can be also described using only boundary integrals. Test calculations show that Wielandt's spectral shift technique guarantees rapid and stable convergence of 3-D MRM computations. (author)

  4. Three-dimensional viscous-inviscid coupling method for wind turbine computations

    DEFF Research Database (Denmark)

    Ramos García, Néstor; Sørensen, Jens Nørkær; Shen, Wen Zhong

    2016-01-01

    In this paper, a computational model for predicting the aerodynamic behavior of wind turbine wakes and blades subjected to unsteady motions and viscous effects is presented. The model is based on a three-dimensional panel method using a surface distribution of quadrilateral sources and doublets......, which is coupled to a viscous boundary layer solver. Unlike Navier-Stokes codes that need to solve the entire flow domain, the panel method solves the flow around a complex geometry by distributing singularity elements on the body surface, obtaining a faster solution and making this type of codes...... suitable for the design of wind turbines. A free-wake model has been employed to simulate the wake behind a wind turbine by using vortex filaments that carry the vorticity shed by the trailing edge of the blades. Viscous and rotational effects inside the boundary layer are taken into account via...

  5. A mixed method Poisson solver for three-dimensional self-gravitating astrophysical fluid dynamical systems

    Science.gov (United States)

    Duncan, Comer; Jones, Jim

    1993-01-01

    A key ingredient in the simulation of self-gravitating astrophysical fluid dynamical systems is the gravitational potential and its gradient. This paper focuses on the development of a mixed method multigrid solver of the Poisson equation formulated so that both the potential and the Cartesian components of its gradient are self-consistently and accurately generated. The method achieves this goal by formulating the problem as a system of four equations for the gravitational potential and the three Cartesian components of the gradient and solves them using a distributed relaxation technique combined with conventional full multigrid V-cycles. The method is described, some tests are presented, and the accuracy of the method is assessed. We also describe how the method has been incorporated into our three-dimensional hydrodynamics code and give an example of an application to the collision of two stars. We end with some remarks about the future developments of the method and some of the applications in which it will be used in astrophysics.

  6. Multi-dimensional Analysis Method of Hydrogen Combustion in the Containment of a Nuclear Power Plant

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jongtae; Hong, Seongwan [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Kim, Gun Hong [Kyungwon E and C Co., Seongnam (Korea, Republic of)

    2014-05-15

    The most severe case is the occurrence of detonation, which induces a few-fold greater pressure load on the containment wall than a deflagration flame. The occurrence of a containment-wise global detonation is prohibited by a national regulation. The compartments located in the flow path such as steam generator compartment, annular compartment, and dome region are likely to have highly-concentrated hydrogen. If it is found that hydrogen concentration in any compartment is far below a detonation criterion during an accident progression, it can be thought that the occurrence of a detonative explosion in a compartment is excluded. However, if it is not, it is necessary to evaluate the characteristics of flame acceleration in the containment. The possibility of a flame transition from a deflagration to a detonation (DDT) can be evaluated from a calculated hydrogen distribution in a compartment by using sigma-lambda criteria. However, this method can provide a very conservative result because the geometric characteristics of a real compartment are not considered well. In order to evaluate the containment integrity from a threat of a hydrogen explosion, it is necessary to establish an integrated evaluation system, which includes a lumped-parameter and detail analysis methods. In this study, a method for the multi-dimensional analysis of hydrogen combustion is proposed to mechanistically evaluate the flame acceleration characteristics with a geometric effect. The geometry of the containment is modeled 3-dimensionally using a CAD tool. To resolve a propagating flame front, an adaptive mesh refinement method is coupled with a combustion analysis solver.

  7. THE NEW THREE-DIMENSIONAL VISUALIZATION METHOD OF HERITAGE SITES BY LIDAR DATA

    Directory of Open Access Journals (Sweden)

    N. Fujii

    2012-07-01

    Full Text Available We introduce a new visualization method for the three dimensional data with laser scanning from helicopter to express of the detailed landscape with "Red Relief Image Map (RRIM"and "3D-Viewer". This RRIM and 3D-Viewer’s method effectively represent 3D topographic information without any additional devices and stereopsis ability for the audience only through two dimensional medium and shows an appropriate form of every feature in the site. Chapters present what the laser scanning from helicopter is and show some examples of mounded tombs with RRIM and 3D-Viewer. This visualization technique including detailed topographical information and geographical coordinates can be directly linked to CAD and GIS system, therefore the LiDAR can easily produce a contour line, a cross section and a bird's-eye view at any place as well as measure the height of trees. This is different from other 3D topographic image with a shadow effect. Vegetation on the site is no longer obstacle to get detailed topographical information. Therefore, in Japan, this method is useful for huge mounded tombs thickly covered with trees, especially "Ryo-bo (imperial tomb"which are administrated by the Imperial Household Agency and common people can't enter. Also a cluster of small mounded tombs which extend in the vast area called "Gunshufun" is shown effectively for the location of each mounded tomb. This method is suitable for understanding the structure of the sites in any wide spread archaeological fields. Moreover, in the management of heritages it is important that these data present precise information of the surface of lands to understand the present situation of heritages. Detailed topographical information by "LiDAR and Red Relief Image Map and 3DViewer" will open a new gate for managing of cultural heritage sites in the future.

  8. Fast Estimation Method of Space-Time Two-Dimensional Positioning Parameters Based on Hadamard Product

    Directory of Open Access Journals (Sweden)

    Haiwen Li

    2018-01-01

    Full Text Available The estimation speed of positioning parameters determines the effectiveness of the positioning system. The time of arrival (TOA and direction of arrival (DOA parameters can be estimated by the space-time two-dimensional multiple signal classification (2D-MUSIC algorithm for array antenna. However, this algorithm needs much time to complete the two-dimensional pseudo spectral peak search, which makes it difficult to apply in practice. Aiming at solving this problem, a fast estimation method of space-time two-dimensional positioning parameters based on Hadamard product is proposed in orthogonal frequency division multiplexing (OFDM system, and the Cramer-Rao bound (CRB is also presented. Firstly, according to the channel frequency domain response vector of each array, the channel frequency domain estimation vector is constructed using the Hadamard product form containing location information. Then, the autocorrelation matrix of the channel response vector for the extended array element in frequency domain and the noise subspace are calculated successively. Finally, by combining the closed-form solution and parameter pairing, the fast joint estimation for time delay and arrival direction is accomplished. The theoretical analysis and simulation results show that the proposed algorithm can significantly reduce the computational complexity and guarantee that the estimation accuracy is not only better than estimating signal parameters via rotational invariance techniques (ESPRIT algorithm and 2D matrix pencil (MP algorithm but also close to 2D-MUSIC algorithm. Moreover, the proposed algorithm also has certain adaptability to multipath environment and effectively improves the ability of fast acquisition of location parameters.

  9. Assessing the accuracy and reliability of ultrasonographic three-dimensional parathyroid volume measurement in a patient with secondary hyperparathyroidism: a comparison with the two-dimensional conventional method

    Energy Technology Data Exchange (ETDEWEB)

    You, Sung Hye; Son, Gyu Ri; Lee, Nam Joon [Dept. of Radiology, Korea University Anam Hospital, Seoul (Korea, Republic of); Suh, Sangil; Ryoo, In Seon; Seol, Hae Young [Dept. of Radiology, Korea University Guro Hospital, Seoul (Korea, Republic of); Lee, Young Hen; Seo, Hyung Suk [Dept. of Radiology, Korea University Ansan Hospital, Ansan (Korea, Republic of)

    2017-01-15

    The purpose of this study was to investigate the accuracy and reliability of the semi-automated ultrasonographic volume measurement tool, virtual organ computer-aided analysis (VOCAL), for measuring the volume of parathyroid glands. Volume measurements for 40 parathyroid glands were performed in patients with secondary hyperparathyroidism caused by chronic renal failure. The volume of the parathyroid glands was measured twice by experienced radiologists by two-dimensional (2D) and three-dimensional (3D) methods using conventional sonograms and the VOCAL with 30°angle increments before parathyroidectomy. The specimen volume was also measured postoperatively. Intraclass correlation coefficients (ICCs) and the absolute percentage error were used for estimating the reproducibility and accuracy of the two different methods. The ICC value between two measurements of the 2D method and the 3D method was 0.956 and 0.999, respectively. The mean absolute percentage error of the 2D method and the 3D VOCAL technique was 29.56% and 5.78%, respectively. For accuracy and reliability, the plots of the 3D method showed a more compact distribution than those of the 2D method on the Bland-Altman graph. The rotational VOCAL method for measuring the parathyroid gland is more accurate and reliable than the conventional 2D measurement. This VOCAL method could be used as a more reliable follow-up imaging modality in a patient with hyperparathyroidism.

  10. Assessing the accuracy and reliability of ultrasonographic three-dimensional parathyroid volume measurement in a patient with secondary hyperparathyroidism: a comparison with the two-dimensional conventional method

    International Nuclear Information System (INIS)

    You, Sung Hye; Son, Gyu Ri; Lee, Nam Joon; Suh, Sangil; Ryoo, In Seon; Seol, Hae Young; Lee, Young Hen; Seo, Hyung Suk

    2017-01-01

    The purpose of this study was to investigate the accuracy and reliability of the semi-automated ultrasonographic volume measurement tool, virtual organ computer-aided analysis (VOCAL), for measuring the volume of parathyroid glands. Volume measurements for 40 parathyroid glands were performed in patients with secondary hyperparathyroidism caused by chronic renal failure. The volume of the parathyroid glands was measured twice by experienced radiologists by two-dimensional (2D) and three-dimensional (3D) methods using conventional sonograms and the VOCAL with 30°angle increments before parathyroidectomy. The specimen volume was also measured postoperatively. Intraclass correlation coefficients (ICCs) and the absolute percentage error were used for estimating the reproducibility and accuracy of the two different methods. The ICC value between two measurements of the 2D method and the 3D method was 0.956 and 0.999, respectively. The mean absolute percentage error of the 2D method and the 3D VOCAL technique was 29.56% and 5.78%, respectively. For accuracy and reliability, the plots of the 3D method showed a more compact distribution than those of the 2D method on the Bland-Altman graph. The rotational VOCAL method for measuring the parathyroid gland is more accurate and reliable than the conventional 2D measurement. This VOCAL method could be used as a more reliable follow-up imaging modality in a patient with hyperparathyroidism

  11. Experimental and numerical studies of high-velocity impact fragmentation

    Energy Technology Data Exchange (ETDEWEB)

    Kipp, M.E.; Grady, D.E.; Swegle, J.W.

    1993-08-01

    Developments are reported in both experimental and numerical capabilities for characterizing the debris spray produced in penetration events. We have performed a series of high-velocity experiments specifically designed to examine the fragmentation of the projectile during impact. High-strength, well-characterized steel spheres (6.35 mm diameter) were launched with a two-stage light-gas gun to velocities in the range of 3 to 5 km/s. Normal impact with PMMA plates, thicknesses of 0.6 to 11 mm, applied impulsive loads of various amplitudes and durations to the steel sphere. Multiple flash radiography diagnostics and recovery techniques were used to assess size, velocity, trajectory and statistics of the impact-induced fragment debris. Damage modes to the primary target plate (plastic) and to a secondary target plate (aluminum) were also evaluated. Dynamic fragmentation theories, based on energy-balance principles, were used to evaluate local material deformation and fracture state information from CTH, a three-dimensional Eulerian solid dynamics shock wave propagation code. The local fragment characterization of the material defines a weighted fragment size distribution, and the sum of these distributions provides a composite particle size distribution for the steel sphere. The calculated axial and radial velocity changes agree well with experimental data, and the calculated fragment sizes are in qualitative agreement with the radiographic data. A secondary effort involved the experimental and computational analyses of normal and oblique copper ball impacts on steel target plates. High-resolution radiography and witness plate diagnostics provided impact motion and statistical fragment size data. CTH simulations were performed to test computational models and numerical methods.

  12. A method for measuring three-dimensional mandibular kinematics in vivo using single-plane fluoroscopy

    Science.gov (United States)

    Chen, C-C; Lin, C-C; Chen, Y-J; Hong, S-W; Lu, T-W

    2013-01-01

    Objectives Accurate measurement of the three-dimensional (3D) motion of the mandible in vivo is essential for relevant clinical applications. Existing techniques are either of limited accuracy or require the use of transoral devices that interfere with jaw movements. This study aimed to develop further an existing method for measuring 3D, in vivo mandibular kinematics using single-plane fluoroscopy; to determine the accuracy of the method; and to demonstrate its clinical applicability via measurements on a healthy subject during opening/closing and chewing movements. Methods The proposed method was based on the registration of single-plane fluoroscopy images and 3D low-radiation cone beam CT data. It was validated using roentgen single-plane photogrammetric analysis at static positions and during opening/closing and chewing movements. Results The method was found to have measurement errors of 0.1 ± 0.9 mm for all translations and 0.2° ± 0.6° for all rotations in static conditions, and of 1.0 ± 1.4 mm for all translations and 0.2° ± 0.7° for all rotations in dynamic conditions. Conclusions The proposed method is considered an accurate method for quantifying the 3D mandibular motion in vivo. Without relying on transoral devices, the method has advantages over existing methods, especially in the assessment of patients with missing or unstable teeth, making it useful for the research and clinical assessment of the temporomandibular joint and chewing function. PMID:22842637

  13. A new extended elliptic equation rational expansion method and its application to (2 + 1)-dimensional Burgers equation

    International Nuclear Information System (INIS)

    Wang Baodong; Song Lina; Zhang Hongqing

    2007-01-01

    In this paper, we present a new elliptic equation rational expansion method to uniformly construct a series of exact solutions for nonlinear partial differential equations. As an application of the method, we choose the (2 + 1)-dimensional Burgers equation to illustrate the method and successfully obtain some new and more general solutions

  14. A meshless local radial basis function method for two-dimensional incompressible Navier-Stokes equations

    KAUST Repository

    Wang, Zhiheng

    2014-12-10

    A meshless local radial basis function method is developed for two-dimensional incompressible Navier-Stokes equations. The distributed nodes used to store the variables are obtained by the philosophy of an unstructured mesh, which results in two main advantages of the method. One is that the unstructured nodes generation in the computational domain is quite simple, without much concern about the mesh quality; the other is that the localization of the obtained collocations for the discretization of equations is performed conveniently with the supporting nodes. The algebraic system is solved by a semi-implicit pseudo-time method, in which the convective and source terms are explicitly marched by the Runge-Kutta method, and the diffusive terms are implicitly solved. The proposed method is validated by several benchmark problems, including natural convection in a square cavity, the lid-driven cavity flow, and the natural convection in a square cavity containing a circular cylinder, and very good agreement with the existing results are obtained.

  15. Beam simulation of synchrotron radiation equipment. New method responsive to three dimensional magnetic field

    International Nuclear Information System (INIS)

    Tanaka, Hirofumi

    1999-01-01

    A new numerical analysis method capable of precise modeling of complex three dimensional magnetic field of superconducting wiggler and of long-term beam simulation without destroying property of Hamiltonian dynamics system was developed by using the above-mentioned method. Therefore, a fundamental design of a compact synchrotron radiation equipment with hexagonal column shape was also developed. Its main parameters had 1 GeV in energy, 36 m in circumference, 300 mA in stored current, and 184 nmrad in emittance. So as to enable to research the x-ray and vacuum UV regions, a superconducting wiggler with 7T in magnetic field strength and an undulator were set at straight section. It depends upon if beam around stable region on exciting the superconducting wiggler is wider than the required region whether this type of synchrotron radiation equipment can be realized or not. By using three orbit analysis methods containing the developed one, the circulating stable region was introduced. As a result, although shape of the stable region was different from used methods, it was found that considerably larger stable region was obtained than the required in circulation results of every three methods. That is to say, it was shown that the designed compact equipment can accumulate electron beams stably. (G.K.)

  16. Impact response analysis of cask for spent fuel by dimensional analysis and mode superposition method

    International Nuclear Information System (INIS)

    Kim, Y. J.; Kim, W. T.; Lee, Y. S.

    2006-01-01

    Full text: Full text: Due to the potentiality of accidents, the transportation safety of radioactive material has become extremely important in these days. The most important means of accomplishing the safety in transportation for radioactive material is the integrity of cask. The cask for spent fuel consists of a cask body and two impact limiters generally. The impact limiters are attached at the upper and the lower of the cask body. The cask comprises general requirements and test requirements for normal transport conditions and hypothetical accident conditions in accordance with IAEA regulations. Among the test requirements for hypothetical accident conditions, the 9 m drop test of dropping the cask from 9 m height to unyielding surface to get maximum damage becomes very important requirement because it can affect the structural soundness of the cask. So far the impact response analysis for 9 m drop test has been obtained by finite element method with complex computational procedure. In this study, the empirical equations of the impact forces for 9 m drop test are formulated by dimensional analysis. And then using the empirical equations the characteristics of material used for impact limiters are analysed. Also the dynamic impact response of the cask body is analysed using the mode superposition method and the analysis method is proposed. The results are also validated by comparing with previous experimental results and finite element analysis results. The present method is simpler than finite element method and can be used to predict the impact response of the cask

  17. A modified sparse reconstruction method for three-dimensional synthetic aperture radar image

    Science.gov (United States)

    Zhang, Ziqiang; Ji, Kefeng; Song, Haibo; Zou, Huanxin

    2018-03-01

    There is an increasing interest in three-dimensional Synthetic Aperture Radar (3-D SAR) imaging from observed sparse scattering data. However, the existing 3-D sparse imaging method requires large computing times and storage capacity. In this paper, we propose a modified method for the sparse 3-D SAR imaging. The method processes the collection of noisy SAR measurements, usually collected over nonlinear flight paths, and outputs 3-D SAR imagery. Firstly, the 3-D sparse reconstruction problem is transformed into a series of 2-D slices reconstruction problem by range compression. Then the slices are reconstructed by the modified SL0 (smoothed l0 norm) reconstruction algorithm. The improved algorithm uses hyperbolic tangent function instead of the Gaussian function to approximate the l0 norm and uses the Newton direction instead of the steepest descent direction, which can speed up the convergence rate of the SL0 algorithm. Finally, numerical simulation results are given to demonstrate the effectiveness of the proposed algorithm. It is shown that our method, compared with existing 3-D sparse imaging method, performs better in reconstruction quality and the reconstruction time.

  18. A new method of three-dimensional computer assisted reconstruction of the developing biliary tract.

    Science.gov (United States)

    Prudhomme, M; Gaubert-Cristol, R; Jaeger, M; De Reffye, P; Godlewski, G

    1999-01-01

    A three-dimensional (3-D) computer assisted reconstruction of the biliary tract was performed in human and rat embryos at Carnegie stage 23 to describe and compare the biliary structures and to point out the anatomic relations between the structures of the hepatic pedicle. Light micrograph images from consecutive serial sagittal sections (diameter 7 mm) of one human and 16 rat embryos were directly digitalized with a CCD camera. The serial views were aligned automatically by software. The data were analysed following segmentation and thresholding, allowing automatic reconstruction. The main bile ducts ascended in the mesoderm of the hepatoduodenal ligament. The extrahepatic bile ducts: common bile duct (CD), cystic duct and gallbladder in the human, formed a compound system which could not be shown so clearly in histologic sections. The hepato-pancreatic ampulla was studied as visualised through the duodenum. The course of the CD was like a chicane. The gallbladder diameter and length were similar to those of the CD. Computer-assisted reconstruction permitted easy acquisition of the data by direct examination of the sections through the microscope. This method showed the relationships between the different structures of the hepatic pedicle and allowed estimation of the volume of the bile duct. These findings were not obvious in two-dimensional (2-D) views from histologic sections. Each embryonic stage could be rebuilt in 3-D, which could introduce the time as a fourth dimension, fundamental for the study of organogenesis.

  19. The method to make the three dimensional anatomical pattern of hepatic vessels by stereo angiography

    International Nuclear Information System (INIS)

    Mutou, Haruomi; Kobayashi, Seiichiro; Yamada, Akiyoshi; Takasaki, Takeshi; Isobe, Yoshinori; Tanaka, Seiichi; Saeki, Shin; Yoshida, Masanori

    1986-01-01

    For the Past few years, there has been a big advance in the hepatic surgery. Now, small resection, such as segmentectomy or subsegmentectomy, is performed routinely. Based on this tendency, hepatic surgeons request more details, more stereographic findings of hepatic vessels to heaptic angiography. Especially three dimensional combined anatomical pattern of the hepatic artery, portal vein and hepatic vein is strongly needed. We have tried three dimensional computer graphic of hepatic vessels since few years ago, using the personal computer, digitizer with clear screen, commercially available 3D software and my own program. We use three groups of angiographic films, that is the hepatic artery, portal vein and hepatic vein with IVC, which were taken by stereoangiography. The depth of each poits of vessels are calculated by the way described in Fig 3. Using these points, the 3D software, '3DPROGATS', can make the anatomical pattern of combined hepatic vessels on TV display. And then we can also perform rotation, heading, bank, zooming, hidden line elimination freely for this picture. Out of necessity as hepatic surgeons, we make a simple system for 3D computer graphic of heptic vessels. At present, the image is somewhat rough, but clinically it is relatively effective. In this report we want to explain our method and to show the anatomical pattern of hepatic vessels of case of hepatoma. (author)

  20. Novel Method of Detecting Movement of the Interference Fringes Using One-Dimensional PSD

    Directory of Open Access Journals (Sweden)

    Qi Wang

    2015-06-01

    Full Text Available In this paper, a method of using a one-dimensional position-sensitive detector (PSD by replacing charge-coupled device (CCD to measure the movement of the interference fringes is presented first, and its feasibility is demonstrated through an experimental setup based on the principle of centroid detection. Firstly, the centroid position of the interference fringes in a fiber Mach-Zehnder (M-Z interferometer is solved in theory, showing it has a higher resolution and sensitivity. According to the physical characteristics and principles of PSD, a simulation of the interference fringe’s phase difference in fiber M-Z interferometers and PSD output is carried out. Comparing the simulation results with the relationship between phase differences and centroid positions in fiber M-Z interferometers, the conclusion that the output of interference fringes by PSD is still the centroid position is obtained. Based on massive measurements, the best resolution of the system is achieved with 5.15, 625 μm. Finally, the detection system is evaluated through setup error analysis and an ultra-narrow-band filter structure. The filter structure is configured with a one-dimensional photonic crystal containing positive and negative refraction material, which can eliminate background light in the PSD detection experiment. This detection system has a simple structure, good stability, high precision and easily performs remote measurements, which makes it potentially useful in material small deformation tests, refractivity measurements of optical media and optical wave front detection.

  1. Efficient analysis of three dimensional EUV mask induced imaging artifacts using the waveguide decomposition method

    Science.gov (United States)

    Shao, Feng; Evanschitzky, Peter; Fühner, Tim; Erdmann, Andreas

    2009-10-01

    This paper employs the Waveguide decomposition method as an efficient rigorous electromagnetic field (EMF) solver to investigate three dimensional mask-induced imaging artifacts in EUV lithography. The major mask diffraction induced imaging artifacts are first identified by applying the Zernike analysis of the mask nearfield spectrum of 2D lines/spaces. Three dimensional mask features like 22nm semidense/dense contacts/posts, isolated elbows and line-ends are then investigated in terms of lithographic results. After that, the 3D mask-induced imaging artifacts such as feature orientation dependent best focus shift, process window asymmetries, and other aberration-like phenomena are explored for the studied mask features. The simulation results can help lithographers to understand the reasons of EUV-specific imaging artifacts and to devise illumination and feature dependent strategies for their compensation in the optical proximity correction (OPC) for EUV masks. At last, an efficient approach using the Zernike analysis together with the Waveguide decomposition technique is proposed to characterize the impact of mask properties for the future OPC process.

  2. Dimensional accuracy optimization of the micro-plastic injection molding process using the Taguchi design method

    Directory of Open Access Journals (Sweden)

    Chil-Chyuan KUO KUO

    2015-06-01

    Full Text Available Plastic injection molding is an important field in manufacturing industry because there are many plastic products that produced by injection molding. However, the time and cost required for producing a precision mold are the most troublesome problems that limit the application at the development stage of a new product in precision machinery industry. This study presents an approach of manufacturing a hard mold with microfeatures for micro-plastic injection molding. This study also focuses on Taguchi design method for investigating the effect of injection parameters on the dimensional accuracy of Fresnel lens during plastic injection molding. It was found that the dominant factor affecting the microgroove depth of Fresnel lens is packing pressure. The optimum processing parameters are packing pressure of 80 MPa, melt temperature of 240 °C, mold temperature of 90 °C and injection speed of 50 m/s. The dimensional accuracy of Fresnel lens can be controlled within ±3 µm using the optimum level of process parameters through the confirmation test. The research results of this study have industrial application values because electro-optical industries are able to significantly reduce a new optical element development cycle time.DOI: http://dx.doi.org/10.5755/j01.ms.21.2.5864

  3. Three-dimensional vision enhances task performance independently of the surgical method.

    Science.gov (United States)

    Wagner, O J; Hagen, M; Kurmann, A; Horgan, S; Candinas, D; Vorburger, S A

    2012-10-01

    Within the next few years, the medical industry will launch increasingly affordable three-dimensional (3D) vision systems for the operating room (OR). This study aimed to evaluate the effect of two-dimensional (2D) and 3D visualization on surgical skills and task performance. In this study, 34 individuals with varying laparoscopic experience (18 inexperienced individuals) performed three tasks to test spatial relationships, grasping and positioning, dexterity, precision, and hand-eye and hand-hand coordination. Each task was performed in 3D using binocular vision for open performance, the Viking 3Di Vision System for laparoscopic performance, and the DaVinci robotic system. The same tasks were repeated in 2D using an eye patch for monocular vision, conventional laparoscopy, and the DaVinci robotic system. Loss of 3D vision significantly increased the perceived difficulty of a task and the time required to perform it, independently of the approach (P robot than with laparoscopy (P = 0.005). In every case, 3D robotic performance was superior to conventional laparoscopy (2D) (P < 0.001-0.015). The more complex the task, the more 3D vision accelerates task completion compared with 2D vision. The gain in task performance is independent of the surgical method.

  4. A comparison of primary two- and three-dimensional methods to review CT colonography

    International Nuclear Information System (INIS)

    Gelder, Rogier E. van; Florie, Jasper; Nio, C. Yung; Jager, Steven W. de; Lameris, Johan S.; Stoker, Jaap; Jensch, Sebastiaan; Vos, Frans M.; Venema, Henk W.; Bartelsman, Joep F.; Reitsma, Johannes B.; Bossuyt, Patrick M.M.

    2007-01-01

    The aim of our study was to compare primary three-dimensional (3D) and primary two-dimensional (2D) review methods for CT colonography with regard to polyp detection and perceptive errors. CT colonography studies of 77 patients were read twice by three reviewers, first with a primary 3D method and then with a primary 2D method. Mean numbers of true and false positives, patient sensitivity and specificity and perceptive errors were calculated with colonoscopy as a reference standard. A perceptive error was made if a polyp was not detected by all reviewers. Mean sensitivity for large (≥10 mm) polyps for primary 3D and 2D review was 81% (14.7/18) and 70%(12.7/18), respectively (p-values ≥0.25). Mean numbers of large false positives for primary 3D and 2D were 8.3 and 5.3, respectively. With primary 3D and 2D review 1 and 6 perceptive errors, respectively, were made in 18 large polyps (p = 0.06). For medium-sized (6-9 mm) polyps these values were for primary 3D and 2D, respectively: mean sensitivity: 67%(11.3/17) and 61%(10.3/17; p-values≥ 0.45), number of false positives: 33.3 and 15.6, and perceptive errors: 4 and 6 (p = 0.53). No significant differences were found in the detection of large and medium-sized polyps between primary 3D and 2D review. (orig.)

  5. Seismic response of three-dimensional rockfill dams using the Indirect Boundary Element Method

    International Nuclear Information System (INIS)

    Sanchez-Sesma, Francisco J; Arellano-Guzman, Mauricio; Perez-Gavilan, Juan J; Suarez, Martha; Marengo-Mogollon, Humberto; Chaillat, Stephanie; Jaramillo, Juan Diego; Gomez, Juan; Iturraran-Viveros, Ursula; Rodriguez-Castellanos, Alejandro

    2010-01-01

    The Indirect Boundary Element Method (IBEM) is used to compute the seismic response of a three-dimensional rockfill dam model. The IBEM is based on a single layer integral representation of elastic fields in terms of the full-space Green function, or fundamental solution of the equations of dynamic elasticity, and the associated force densities along the boundaries. The method has been applied to simulate the ground motion in several configurations of surface geology. Moreover, the IBEM has been used as benchmark to test other procedures. We compute the seismic response of a three-dimensional rockfill dam model placed within a canyon that constitutes an irregularity on the surface of an elastic half-space. The rockfill is also assumed elastic with hysteretic damping to account for energy dissipation. Various types of incident waves are considered to analyze the physical characteristics of the response: symmetries, amplifications, impulse response and the like. Computations are performed in the frequency domain and lead to time response using Fourier analysis. In the present implementation a symmetrical model is used to test symmetries. The boundaries of each region are discretized into boundary elements whose size depends on the shortest wavelength, typically, six boundary segments per wavelength. Usually, the seismic response of rockfill dams is simulated using either finite elements (FEM) or finite differences (FDM). In most applications, commercial tools that combine features of these methods are used to assess the seismic response of the system for a given motion at the base of model. However, in order to consider realistic excitation of seismic waves with different incidence angles and azimuth we explore the IBEM.

  6. A Three-Dimensional Target Depth-Resolution Method with a Single-Vector Sensor.

    Science.gov (United States)

    Zhao, Anbang; Bi, Xuejie; Hui, Juan; Zeng, Caigao; Ma, Lin

    2018-04-12

    This paper mainly studies and verifies the target number category-resolution method in multi-target cases and the target depth-resolution method of aerial targets. Firstly, target depth resolution is performed by using the sign distribution of the reactive component of the vertical complex acoustic intensity; the target category and the number resolution in multi-target cases is realized with a combination of the bearing-time recording information; and the corresponding simulation verification is carried out. The algorithm proposed in this paper can distinguish between the single-target multi-line spectrum case and the multi-target multi-line spectrum case. This paper presents an improved azimuth-estimation method for multi-target cases, which makes the estimation results more accurate. Using the Monte Carlo simulation, the feasibility of the proposed target number and category-resolution algorithm in multi-target cases is verified. In addition, by studying the field characteristics of the aerial and surface targets, the simulation results verify that there is only amplitude difference between the aerial target field and the surface target field under the same environmental parameters, and an aerial target can be treated as a special case of a surface target; the aerial target category resolution can then be realized based on the sign distribution of the reactive component of the vertical acoustic intensity so as to realize three-dimensional target depth resolution. By processing data from a sea experiment, the feasibility of the proposed aerial target three-dimensional depth-resolution algorithm is verified.

  7. Novel method for producing hypoallergenic wheat flour by enzymatic fragmentation of the constituent allergens and its application to food processing

    OpenAIRE

    Watanabe, Michiko; Watanabe, Jun; Sonoyama, Kei; Tanabe, Soichi

    2000-01-01

    A novel method is proposed to produce hypoallergenic wheat flour suitable for patients allergic to wheat. Wheat flour was mixed with a cellulase solution, and the mixture was incubated at 50°C for 1 h to hydrolyze the carbohydrate allergens. The hydrolysate was further incubated with actinase at 40°C for 1 h while gently stirring to decompose the proteinaceous allergens. The product was evaluated for its allergenicity by an enzyme-linked immunosorbent assay, the results of which suggested neg...

  8. Development of 2-D/1-D fusion method for three-dimensional whole-core heterogeneous neutron transport calculations

    International Nuclear Information System (INIS)

    Lee, Gil Soo

    2006-02-01

    To describe power distribution and multiplication factor of a reactor core accurately, it is necessary to perform calculations based on neutron transport equation considering heterogeneous geometry and scattering angles. These calculations require very heavy calculations and were nearly impossible with computers of old days. From the limitation of computing power, traditional approach of reactor core design consists of heterogeneous transport calculation in fuel assembly level and whole core diffusion nodal calculation with assembly homogenized properties, resulting from fuel assembly transport calculation. This approach may be effective in computation time, but it gives less accurate results for highly heterogeneous problems. As potential for whole core heterogeneous transport calculation became more feasible owing to rapid development of computing power during last several years, the interests in two and three dimensional whole core heterogeneous transport calculations by deterministic method are increased. For two dimensional calculation, there were several successful approaches using even parity transport equation with triangular meshes, S N method with refined rectangular meshes, the method of characteristics (MOC) with unstructured meshes, and so on. The work in this thesis originally started from the two dimensional whole core heterogeneous transport calculation by using MOC. After successful achievement in two dimensional calculation, there were efforts in three-dimensional whole-core heterogeneous transport calculation using MOC. Since direct extension to three dimensional calculation of MOC requires too much computing power, indirect approach to three dimensional calculation was considered.Thus, 2D/1D fusion method for three dimensional heterogeneous transport calculation was developed and successfully implemented in a computer code. The 2D/1D fusion method is synergistic combination of the MOC for radial 2-D calculation and S N -like methods for axial 1

  9. Impact failure and fragmentation properties of metals

    Energy Technology Data Exchange (ETDEWEB)

    Grady, D.E. [Applied Research Associates, Albuquerque, NM (United States); Kipp, M.E. [Sandia National Labs., Albuquerque, NM (United States)

    1998-03-01

    In the present study we describe the development of an experimental fracture material property test method specific to dynamic fragmentation. Spherical test samples of the metals of interest are subjected to controlled impulsive stress loads by acceleration to high velocities with a light-gas launcher facility and subsequent normal impact on thin plates. Motion, deformation and fragmentation of the test samples are diagnosed with multiple flash radiography methods. The impact plate materials are selected to be transparent to the x-ray method so that only test metal material is imaged. Through a systematic series of such tests both strain-to-failure and fragmentation resistance properties are determined through this experimental method. Fragmentation property data for several steels, copper, aluminum, tantalum and titanium have been obtained to date. Aspects of the dynamic data have been analyzed with computational methods to achieve a better understanding of the processes leading to failure and fragmentation, and to test an existing computational fragmentation model.

  10. Improved non-dimensional dynamic influence function method for vibration analysis of arbitrarily shaped plates with clamped edges

    Directory of Open Access Journals (Sweden)

    Sang-Wook Kang

    2016-03-01

    Full Text Available A new formulation for the non-dimensional dynamic influence function method, which was developed by the authors, is proposed to efficiently extract eigenvalues and mode shapes of clamped plates with arbitrary shapes. Compared with the finite element and boundary element methods, the non-dimensional dynamic influence function method yields highly accurate solutions in eigenvalue analysis problems of plates and membranes including acoustic cavities. However, the non-dimensional dynamic influence function method requires the uneconomic procedure of calculating the singularity of a system matrix in the frequency range of interest for extracting eigenvalues because it produces a non-algebraic eigenvalue problem. This article describes a new approach that reduces the problem of free vibrations of clamped plates to an algebraic eigenvalue problem, the solution of which is straightforward. The validity and efficiency of the proposed method are illustrated through several numerical examples.

  11. Elastic SCAD as a novel penalization method for SVM classification tasks in high-dimensional data.

    Science.gov (United States)

    Becker, Natalia; Toedt, Grischa; Lichter, Peter; Benner, Axel

    2011-05-09

    Classification and variable selection play an important role in knowledge discovery in high-dimensional data. Although Support Vector Machine (SVM) algorithms are among the most powerful classification and prediction methods with a wide range of scientific applications, the SVM does not include automatic feature selection and therefore a number of feature selection procedures have been developed. Regularisation approaches extend SVM to a feature selection method in a flexible way using penalty functions like LASSO, SCAD and Elastic Net.We propose a novel penalty function for SVM classification tasks, Elastic SCAD, a combination of SCAD and ridge penalties which overcomes the limitations of each penalty alone.Since SVM models are extremely sensitive to the choice of tuning parameters, we adopted an interval search algorithm, which in comparison to a fixed grid search finds rapidly and more precisely a global optimal solution. Feature selection methods with combined penalties (Elastic Net and Elastic SCAD SVMs) are more robust to a change of the model complexity than methods using single penalties. Our simulation study showed that Elastic SCAD SVM outperformed LASSO (L1) and SCAD SVMs. Moreover, Elastic SCAD SVM provided sparser classifiers in terms of median number of features selected than Elastic Net SVM and often better predicted than Elastic Net in terms of misclassification error.Finally, we applied the penalization methods described above on four publicly available breast cancer data sets. Elastic SCAD SVM was the only method providing robust classifiers in sparse and non-sparse situations. The proposed Elastic SCAD SVM algorithm provides the advantages of the SCAD penalty and at the same time avoids sparsity limitations for non-sparse data. We were first to demonstrate that the integration of the interval search algorithm and penalized SVM classification techniques provides fast solutions on the optimization of tuning parameters.The penalized SVM

  12. METHOD OF DIMENSIONALITY REDUCTION IN CONTACT MECHANICS AND FRICTION: A USERS HANDBOOK. I. AXIALLY-SYMMETRIC CONTACTS

    Directory of Open Access Journals (Sweden)

    Valentin L. Popov

    2014-04-01

    Full Text Available The Method of Dimensionality Reduction (MDR is a method of calculation and simulation of contacts of elastic and viscoelastic bodies. It consists essentially of two simple steps: (a substitution of the three-dimensional continuum by a uniquely defined one-dimensional linearly elastic or viscoelastic foundation (Winkler foundation and (b transformation of the three-dimensional profile of the contacting bodies by means of the MDR-transformation. As soon as these two steps are completed, the contact problem can be considered to be solved. For axial symmetric contacts, only a small calculation by hand is required which does not exceed elementary calculus and will not be a barrier for any practically-oriented engineer. Alternatively, the MDR can be implemented numerically, which is almost trivial due to the independence of the foundation elements. In spite of their simplicity, all the results are exact. The present paper is a short practical guide to the MDR.

  13. A Galleria Boundary Element Method for two-dimensional nonlinear magnetostatics

    Science.gov (United States)

    Brovont, Aaron D.

    The Boundary Element Method (BEM) is a numerical technique for solving partial differential equations that is used broadly among the engineering disciplines. The main advantage of this method is that one needs only to mesh the boundary of a solution domain. A key drawback is the myriad of integrals that must be evaluated to populate the full system matrix. To this day these integrals have been evaluated using numerical quadrature. In this research, a Galerkin formulation of the BEM is derived and implemented to solve two-dimensional magnetostatic problems with a focus on accurate, rapid computation. To this end, exact, closed-form solutions have been derived for all the integrals comprising the system matrix as well as those required to compute fields in post-processing; the need for numerical integration has been eliminated. It is shown that calculation of the system matrix elements using analytical solutions is 15-20 times faster than with numerical integration of similar accuracy. Furthermore, through the example analysis of a c-core inductor, it is demonstrated that the present BEM formulation is a competitive alternative to the Finite Element Method (FEM) for linear magnetostatic analysis. Finally, the BEM formulation is extended to analyze nonlinear magnetostatic problems via the Dual Reciprocity Method (DRBEM). It is shown that a coarse, meshless analysis using the DRBEM is able to achieve RMS error of 3-6% compared to a commercial FEM package in lightly saturated conditions.

  14. View-invariant gait recognition method by three-dimensional convolutional neural network

    Science.gov (United States)

    Xing, Weiwei; Li, Ying; Zhang, Shunli

    2018-01-01

    Gait as an important biometric feature can identify a human at a long distance. View change is one of the most challenging factors for gait recognition. To address the cross view issues in gait recognition, we propose a view-invariant gait recognition method by three-dimensional (3-D) convolutional neural network. First, 3-D convolutional neural network (3DCNN) is introduced to learn view-invariant feature, which can capture the spatial information and temporal information simultaneously on normalized silhouette sequences. Second, a network training method based on cross-domain transfer learning is proposed to solve the problem of the limited gait training samples. We choose the C3D as the basic model, which is pretrained on the Sports-1M and then fine-tune C3D model to adapt gait recognition. In the recognition stage, we use the fine-tuned model to extract gait features and use Euclidean distance to measure the similarity of gait sequences. Sufficient experiments are carried out on the CASIA-B dataset and the experimental results demonstrate that our method outperforms many other methods.

  15. Numerical simulation of two-dimensional flows over a circular cylinder using the immersed boundary method

    International Nuclear Information System (INIS)

    Lima E Silva, A.L.F.; Silveira-Neto, A.; Damasceno, J.J.R.

    2003-01-01

    In this work, a virtual boundary method is applied to the numerical simulation of a uniform flow over a cylinder. The force source term, added to the two-dimensional Navier-Stokes equations, guarantees the imposition of the no-slip boundary condition over the body-fluid interface. These equations are discretized, using the finite differences method. The immersed boundary is represented with a finite number of Lagrangian points, distributed over the solid-fluid interface. A Cartesian grid is used to solve the fluid flow equations. The key idea is to propose a method to calculate the interfacial force without ad hoc constants that should usually be adjusted for the type of flow and the type of the numerical method, when this kind of model is used. In the present work, this force is calculated using the Navier-Stokes equations applied to the Lagrangian points and then distributed over the Eulerian grid. The main advantage of this approach is that it enables calculation of this force field, even if the interface is moving or deforming. It is unnecessary to locate the Eulerian grid points near this immersed boundary. The lift and drag coefficients and the Strouhal number, calculated for an immersed cylinder, are compared with previous experimental and numerical results, for different Reynolds numbers

  16. Guided Autotransplantation of Teeth: A Novel Method Using Virtually Planned 3-dimensional Templates.

    Science.gov (United States)

    Strbac, Georg D; Schnappauf, Albrecht; Giannis, Katharina; Bertl, Michael H; Moritz, Andreas; Ulm, Christian

    2016-12-01

    The aim of this study was to introduce an innovative method for autotransplantation of teeth using 3-dimensional (3D) surgical templates for guided osteotomy preparation and donor tooth placement. This report describes autotransplantation of immature premolars as treatment of an 11-year-old boy having suffered severe trauma with avulsion of permanent maxillary incisors. This approach uses modified methods from guided implant surgery by superimposition of Digital Imaging and Communications in Medicine files and 3D data sets of the jaws in order to predesign 3D printed templates with the aid of a fully digital workflow. The intervention in this complex case could successfully be accomplished by performing preplanned virtual transplantations with guided osteotomies to prevent bone loss and ensure accurate donor teeth placement in new recipient sites. Functional and esthetic restoration could be achieved by modifying methods used in guided implant surgery and prosthodontic rehabilitation. The 1-year follow-up showed vital natural teeth with physiological clinical and radiologic parameters. This innovative approach uses the latest diagnostic methods and techniques of guided implant surgery, enabling the planning and production of 3D printed surgical templates. These accurate virtually predesigned surgical templates could facilitate autotransplantation in the future by full implementation of recommended guidelines, ensuring an atraumatic surgical protocol. Copyright © 2016 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  17. Methods for the solution of the two-dimensional radiation-transfer equation

    International Nuclear Information System (INIS)

    Weaver, R.; Mihalas, D.; Olson, G.

    1982-01-01

    We use the variable Eddington factor (VEF) approximation to solve the time-dependent two-dimensional radiation transfer equation. The transfer equation and its moments are derived for an inertial frame of reference in cylindrical geometry. Using the VEF tensor to close the moment equations, we manipulate them into a combined moment equation that results in an energy equation, which is automatically flux limited. There are two separable facets in this method of solution. First, given the variable Eddington tensor, we discuss the efficient solution of the combined moment matrix equation. The second facet of the problem is the calculation of the variable Eddington tensor. Several options for this calculation, as well as physical limitations on the use of locally-calculated Eddington factors, are discussed

  18. Method to planarize three-dimensional structures to enable conformal electrodes

    Science.gov (United States)

    Nikolic, Rebecca J; Conway, Adam M; Graff, Robert T; Reinhardt, Catherine; Voss, Lars F; Shao, Qinghui

    2012-11-20

    Methods for fabricating three-dimensional PIN structures having conformal electrodes are provided, as well as the structures themselves. The structures include a first layer and an array of pillars with cavity regions between the pillars. A first end of each pillar is in contact with the first layer. A segment is formed on the second end of each pillar. The cavity regions are filled with a fill material, which may be a functional material such as a neutron sensitive material. The fill material covers each segment. A portion of the fill material is etched back to produce an exposed portion of the segment. A first electrode is deposited onto the fill material and each exposed segment, thereby forming a conductive layer that provides a common contact to each the exposed segment. A second electrode is deposited onto the first layer.

  19. Cardiac dimensional analysis by use of biplane cineradiography: description and validation of method.

    Science.gov (United States)

    Lipscomb, K

    1980-01-01

    Biplane cineradiography is a potentially powerful tool for precise measurement of intracardiac dimensions. The most systematic approach to these measurements is the creation of a three-dimensional coordinate system within the x-ray field. Using this system, interpoint distances, such as between radiopaque clips or coronary artery bifurcations, can be calculated by use of the Pythagoras theorem. Alternatively, calibration factors can be calculated in order to determine the absolute dimensions of a structure, such as a ventricle or coronary artery. However, cineradiography has two problems that have precluded widespread use of the system. These problems are pincushion distortion and variable image magnification. In this paper, methodology to quantitate and compensate for these variables is presented. The method uses radiopaque beads permanently mounted in the x-ray field. The position of the bead images on the x-ray film determine the compensation factors. Using this system, measurements are made with a standard deviation of approximately 1% of the true value.

  20. A three-dimensional cell-based smoothed finite element method for elasto-plasticity

    International Nuclear Information System (INIS)

    Lee, Kye Hyung; Im, Se Yong; Lim, Jae Hyuk; Sohn, Dong Woo

    2015-01-01

    This work is concerned with a three-dimensional cell-based smoothed finite element method for application to elastic-plastic analysis. The formulation of smoothed finite elements is extended to cover elastic-plastic deformations beyond the classical linear theory of elasticity, which has been the major application domain of smoothed finite elements. The finite strain deformations are treated with the aid of the formulation based on the hyperelastic constitutive equation. The volumetric locking originating from the nearly incompressible behavior of elastic-plastic deformations is remedied by relaxing the volumetric strain through the mean value. The comparison with the conventional finite elements demonstrates the effectiveness and accuracy of the present approach.

  1. Three-Dimensional Dynamic Topology Optimization with Frequency Constraints Using Composite Exponential Function and ICM Method

    Directory of Open Access Journals (Sweden)

    Hongling Ye

    2015-01-01

    Full Text Available The dynamic topology optimization of three-dimensional continuum structures subject to frequency constraints is investigated using Independent Continuous Mapping (ICM design variable fields. The composite exponential function (CEF is selected to be a filter function which recognizes the design variables and to implement the changing process of design variables from “discrete” to “continuous” and back to “discrete.” Explicit formulations of frequency constraints are given based on filter functions, first-order Taylor series expansion. And an improved optimal model is formulated using CEF and the explicit frequency constraints. Dual sequential quadratic programming (DSQP algorithm is used to solve the optimal model. The program is developed on the platform of MSC Patran & Nastran. Finally, numerical examples are given to demonstrate the validity and applicability of the proposed method.

  2. A three-dimensional cell-based smoothed finite element method for elasto-plasticity

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kye Hyung; Im, Se Yong [KAIST, Daejeon (Korea, Republic of); Lim, Jae Hyuk [KARI, Daejeon (Korea, Republic of); Sohn, Dong Woo [Korea Maritime and Ocean University, Busan (Korea, Republic of)

    2015-02-15

    This work is concerned with a three-dimensional cell-based smoothed finite element method for application to elastic-plastic analysis. The formulation of smoothed finite elements is extended to cover elastic-plastic deformations beyond the classical linear theory of elasticity, which has been the major application domain of smoothed finite elements. The finite strain deformations are treated with the aid of the formulation based on the hyperelastic constitutive equation. The volumetric locking originating from the nearly incompressible behavior of elastic-plastic deformations is remedied by relaxing the volumetric strain through the mean value. The comparison with the conventional finite elements demonstrates the effectiveness and accuracy of the present approach.

  3. A solution of two-dimensional magnetohydrodynamic flow using the finite volume method

    Directory of Open Access Journals (Sweden)

    Naceur Sonia

    2014-01-01

    Full Text Available This paper presents the two dimensional numerical modeling of the coupling electromagnetic-hydrodynamic phenomena in a conduction MHD pump using the Finite volume Method. Magnetohydrodynamic problems are, thus, interdisciplinary and coupled, since the effect of the velocity field appears in the magnetic transport equations, and the interaction between the electric current and the magnetic field appears in the momentum transport equations. The resolution of the Maxwell's and Navier Stokes equations is obtained by introducing the magnetic vector potential A, the vorticity z and the stream function y. The flux density, the electromagnetic force, and the velocity are graphically presented. Also, the simulation results agree with those obtained by Ansys Workbench Fluent software.

  4. FINITE VOLUME METHOD FOR SOLVING THREE-DIMENSIONAL ELECTRIC FIELD DISTRIBUTION

    Directory of Open Access Journals (Sweden)

    Paţiuc V.I.

    2011-04-01

    Full Text Available The paper examines a new approach to finite volume method which is used to calculate the electric field spatially homogeneous three-dimensional environment. It is formulated the problem Dirihle with building of the computational grid on base of space partition, which is known as Delone triangulation with the use of Voronoi cells. It is proposed numerical algorithm for calculating the potential and electric field strength in the space formed by a cylinder placed in the air. It is developed algorithm and software which were for the case, when the potential on the inner surface of the cylinder has been assigned and on the outer surface and the bottom of cylinder it was assigned zero potential. There are presented results of calculations of distribution in the potential space and electric field strength.

  5. A Fibonacci collocation method for solving a class of Fredholm–Volterra integral equations in two-dimensional spaces

    Directory of Open Access Journals (Sweden)

    Farshid Mirzaee

    2014-06-01

    Full Text Available In this paper, we present a numerical method for solving two-dimensional Fredholm–Volterra integral equations (F-VIE. The method reduces the solution of these integral equations to the solution of a linear system of algebraic equations. The existence and uniqueness of the solution and error analysis of proposed method are discussed. The method is computationally very simple and attractive. Finally, numerical examples illustrate the efficiency and accuracy of the method.

  6. Recent Progress in GW-based Methods for Excited-State Calculations of Reduced Dimensional Systems

    Science.gov (United States)

    da Jornada, Felipe H.

    2015-03-01

    Ab initio calculations of excited-state phenomena within the GW and GW-Bethe-Salpeter equation (GW-BSE) approaches allow one to accurately study the electronic and optical properties of various materials, including systems with reduced dimensionality. However, several challenges arise when dealing with complicated nanostructures where the electronic screening is strongly spatially and directionally dependent. In this talk, we discuss some recent developments to address these issues. First, we turn to the slow convergence of quasiparticle energies and exciton binding energies with respect to k-point sampling. This is very effectively dealt with using a new hybrid sampling scheme, which results in savings of several orders of magnitude in computation time. A new ab initio method is also developed to incorporate substrate screening into GW and GW-BSE calculations. These two methods have been applied to mono- and few-layer MoSe2, and yielded strong environmental dependent behaviors in good agreement with experiment. Other issues that arise in confined systems and materials with reduced dimensionality, such as the effect of the Tamm-Dancoff approximation to GW-BSE, and the calculation of non-radiative exciton lifetime, are also addressed. These developments have been efficiently implemented and successfully applied to real systems in an ab initio framework using the BerkeleyGW package. I would like to acknowledge collaborations with Diana Y. Qiu, Steven G. Louie, Meiyue Shao, Chao Yang, and the experimental groups of M. Crommie and F. Wang. This work was supported by Department of Energy under Contract No. DE-AC02-05CH11231 and by National Science Foundation under Grant No. DMR10-1006184.

  7. Quantum molecular dynamics: Numerical methods and physical study of the structure, thermodynamics, stability and fragmentation of sodium metallic clusters; Dynamique moleculaire quantique: Methodes numeriques et etude physique de la structure, de la thermodynamique, de la stabilite et de la fragmentation des agregats metalliques de sodium

    Energy Technology Data Exchange (ETDEWEB)

    Blaise, Philippe [Universite Joseph Fourier, Grenoble 1, 74 Annecy (France)

    1998-09-29

    The aim of this thesis is to study metallic sodium clusters by numerical simulation. We have developed two ab initio molecular dynamics programs within the formalism of density functional theory. The first is based on the semi-classical extended Thomas-Fermi approach. We use a real-space grid and a Car-Parrinello-like scheme. The computational cost is O(N), and we have built a pseudopotential that speeds up the calculations. By neglecting quantum shell effects, we are able to study a very large set of clusters. We show that sodium cluster energies fit well a liquid drop formula, by adjusting a few parameters. We have investigated breathing modes, surface oscillations and the net charge density. We have shown that the surface energy varies strongly with temperature, and that clusters have a lower melting point than bulk material. We have calculated fission barriers by a constraint method. The second program is based on the quantum Kohn-Sham approach. We use a real-space grid, and combine a generalized Broyden scheme for assuring self-consistency with an iterative Davidson-Lanczos algorithm for solving the Eigen-problem. The cost of the method is much higher. First of all, we have calculated some stable structures for small clusters and their energetics. We obtained very good agreement with previous works. Then, we have investigated highly charged cluster dynamics. We have identified a chaotic fission process. For high fissility systems, we observe a multi-fragmentation dynamics and we find preferential emission of monomers on a characteristic time scale less than a pico-second. This has been simulated for the first time, with the help of our adaptive grid method which follows each fragment as they move apart during the fragmentation. (author) 87 refs., 57 figs., 4 tabs.

  8. The analysis of carbohydrates in milk powder by a new "heart-cutting" two-dimensional liquid chromatography method.

    Science.gov (United States)

    Ma, Jing; Hou, Xiaofang; Zhang, Bing; Wang, Yunan; He, Langchong

    2014-03-01

    In this study, a new"heart-cutting" two-dimensional liquid chromatography method for the simultaneous determination of carbohydrate contents in milk powder was presented. In this two dimensional liquid chromatography system, a Venusil XBP-C4 analysis column was used in the first dimension ((1)D) as a pre-separation column, a ZORBAX carbohydrates analysis column was used in the second dimension ((2)D) as a final-analysis column. The whole process was completed in less than 35min without a particular sample preparation procedure. The capability of the new two dimensional HPLC method was demonstrated in the determination of carbohydrates in various brands of milk powder samples. A conventional one dimensional chromatography method was also proposed. The two proposed methods were both validated in terms of linearity, limits of detection, accuracy and precision. The comparison between the results obtained with the two methods showed that the new and completely automated two dimensional liquid chromatography method is more suitable for milk powder sample because of its online cleanup effect involved. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

  9. A simple method for in vivo measurement of implant rod three-dimensional geometry during scoliosis surgery.

    Science.gov (United States)

    Salmingo, Remel A; Tadano, Shigeru; Fujisaki, Kazuhiro; Abe, Yuichiro; Ito, Manabu

    2012-05-01

    Scoliosis is defined as a spinal pathology characterized as a three-dimensional deformity of the spine combined with vertebral rotation. Treatment for severe scoliosis is achieved when the scoliotic spine is surgically corrected and fixed using implanted rods and screws. Several studies performed biomechanical modeling and corrective forces measurements of scoliosis correction. These studies were able to predict the clinical outcome and measured the corrective forces acting on screws, however, they were not able to measure the intraoperative three-dimensional geometry of the spinal rod. In effect, the results of biomechanical modeling might not be so realistic and the corrective forces during the surgical correction procedure were intra-operatively difficult to measure. Projective geometry has been shown to be successful in the reconstruction of a three-dimensional structure using a series of images obtained from different views. In this study, we propose a new method to measure the three-dimensional geometry of an implant rod using two cameras. The reconstruction method requires only a few parameters, the included angle θ between the two cameras, the actual length of the rod in mm, and the location of points for curve fitting. The implant rod utilized in spine surgery was used to evaluate the accuracy of the current method. The three-dimensional geometry of the rod was measured from the image obtained by a scanner and compared to the proposed method using two cameras. The mean error in the reconstruction measurements ranged from 0.32 to 0.45 mm. The method presented here demonstrated the possibility of intra-operatively measuring the three-dimensional geometry of spinal rod. The proposed method could be used in surgical procedures to better understand the biomechanics of scoliosis correction through real-time measurement of three-dimensional implant rod geometry in vivo.

  10. Current fragmentation in deep inelastic scattering

    International Nuclear Information System (INIS)

    Hamer, C.J.

    1975-04-01

    It is argued that the current fragmentation products in deep inelastic electron scattering will not be distributed in a 'one-dimensional' rapidity plateau as in the parton model picture of Feynman and Bjorken. A reaction mechanism with a multiperipheral topology, but which the above configuration might have been achieved, does not in fact populate the current fragmentation plateau; and unless partons are actually observed in the final state, it cannot lead to Bjorken scaling. The basic reason for this failure is shown to be the fact that when a particle is produced in the current fragmentation plateau, the adjacent momentum transfer in the multiperipheral chain becomes large and negative: such processes are inevitably suppressed. Instead, the current fragmentation products are likely to be generated by a fragmentation, or sequential decay process. (author)

  11. Ultrahigh-dimensional variable selection method for whole-genome gene-gene interaction analysis

    Directory of Open Access Journals (Sweden)

    Ueki Masao

    2012-05-01

    Full Text Available Abstract Background Genome-wide gene-gene interaction analysis using single nucleotide polymorphisms (SNPs is an attractive way for identification of genetic components that confers susceptibility of human complex diseases. Individual hypothesis testing for SNP-SNP pairs as in common genome-wide association study (GWAS however involves difficulty in setting overall p-value due to complicated correlation structure, namely, the multiple testing problem that causes unacceptable false negative results. A large number of SNP-SNP pairs than sample size, so-called the large p small n problem, precludes simultaneous analysis using multiple regression. The method that overcomes above issues is thus needed. Results We adopt an up-to-date method for ultrahigh-dimensional variable selection termed the sure independence screening (SIS for appropriate handling of numerous number of SNP-SNP interactions by including them as predictor variables in logistic regression. We propose ranking strategy using promising dummy coding methods and following variable selection procedure in the SIS method suitably modified for gene-gene interaction analysis. We also implemented the procedures in a software program, EPISIS, using the cost-effective GPGPU (General-purpose computing on graphics processing units technology. EPISIS can complete exhaustive search for SNP-SNP interactions in standard GWAS dataset within several hours. The proposed method works successfully in simulation experiments and in application to real WTCCC (Wellcome Trust Case–control Consortium data. Conclusions Based on the machine-learning principle, the proposed method gives powerful and flexible genome-wide search for various patterns of gene-gene interaction.

  12. Aspect Ratio Dependence of Impact Fragmentation

    International Nuclear Information System (INIS)

    Inaoka, H.; Toyosawa, E.; Takayasu, H.; Inaoka, H.

    1997-01-01

    A numerical model of three-dimensional impact fragmentation produces a power-law cumulative fragment mass distribution followed by a flat tail. The result is consistent with an experimental result in a recent paper by Meibom and Balslev [Phys. Rev. Lett. 76, 2492 (1996)]. Our numerical simulation also implies that the fragment mass distribution changes from a power law with a flat tail to a power law with a sudden cutoff, depending on the aspect ratio of the fractured object. copyright 1997 The American Physical Society

  13. Boundary element methods applied to two-dimensional neutron diffusion problems

    International Nuclear Information System (INIS)

    Itagaki, Masafumi

    1985-01-01

    The Boundary element method (BEM) has been applied to two-dimensional neutron diffusion problems. The boundary integral equation and its discretized form have been derived. Some numerical techniques have been developed, which can be applied to critical and fixed-source problems including multi-region ones. Two types of test programs have been developed according to whether the 'zero-determinant search' or the 'source iteration' technique is adopted for criticality search. Both programs require only the fluxes and currents on boundaries as the unknown variables. The former allows a reduction in computing time and memory in comparison with the finite element method (FEM). The latter is not always efficient in terms of computing time due to the domain integral related to the inhomogeneous source term; however, this domain integral can be replaced by the equivalent boundary integral for a region with a non-multiplying medium or with a uniform source, resulting in a significant reduction in computing time. The BEM, as well as the FEM, is well suited for solving irregular geometrical problems for which the finite difference method (FDM) is unsuited. The BEM also solves problems with infinite domains, which cannot be solved by the ordinary FEM and FDM. Some simple test calculations are made to compare the BEM with the FEM and FDM, and discussions are made concerning the relative merits of the BEM and problems requiring future solution. (author)

  14. Streamline integration as a method for two-dimensional elliptic grid generation

    Energy Technology Data Exchange (ETDEWEB)

    Wiesenberger, M., E-mail: Matthias.Wiesenberger@uibk.ac.at [Institute for Ion Physics and Applied Physics, Universität Innsbruck, A-6020 Innsbruck (Austria); Held, M. [Institute for Ion Physics and Applied Physics, Universität Innsbruck, A-6020 Innsbruck (Austria); Einkemmer, L. [Numerical Analysis group, Universität Innsbruck, A-6020 Innsbruck (Austria)

    2017-07-01

    We propose a new numerical algorithm to construct a structured numerical elliptic grid of a doubly connected domain. Our method is applicable to domains with boundaries defined by two contour lines of a two-dimensional function. Furthermore, we can adapt any analytically given boundary aligned structured grid, which specifically includes polar and Cartesian grids. The resulting coordinate lines are orthogonal to the boundary. Grid points as well as the elements of the Jacobian matrix can be computed efficiently and up to machine precision. In the simplest case we construct conformal grids, yet with the help of weight functions and monitor metrics we can control the distribution of cells across the domain. Our algorithm is parallelizable and easy to implement with elementary numerical methods. We assess the quality of grids by considering both the distribution of cell sizes and the accuracy of the solution to elliptic problems. Among the tested grids these key properties are best fulfilled by the grid constructed with the monitor metric approach. - Graphical abstract: - Highlights: • Construct structured, elliptic numerical grids with elementary numerical methods. • Align coordinate lines with or make them orthogonal to the domain boundary. • Compute grid points and metric elements up to machine precision. • Control cell distribution by adaption functions or monitor metrics.

  15. Two-dimensional fluid-hammer analysis by the method of nearcharacteristics

    International Nuclear Information System (INIS)

    Shin, Y.W.; Kot, C.A.

    1975-05-01

    A numerical technique based on the method of nearcharacteristics is considered for solving propagation of fluid-hammer waves in a two-dimensional geometry. The solution is constructed by relating flow conditions by compatibility equations along lines called nearcharacteristics. Three choices are considered in the numerical scheme that are accurate within an error of the order of magnitude of the time step. Since the nearcharacteristics lie in the coordinate planes, the technique provides an efficient method requiring only simple interpolations in the initial plane. On the other hand, the nearcharacteristics fall outside the characteristics cone. Thus the solution procedure directly refers to conditions outside the true domain of dependence. The effect of this is studied through numerical calculation of a simple example problem and comparison with results obtained by a bicharacteristic method. Comparison is also made with existing analytical solutions and experiments. Furthermore, the three solution schemes considered are examined for numerical stability by the vonNeumann test. Two of the schemes were found to be unstable; the third yielded a stability criterion equivalent to that of the bicharacteristic formulation. The stability-analysis results were confirmed by numerical experimentation. (auth)

  16. Stabilized Discretization in Spline Element Method for Solution of Two-Dimensional Navier-Stokes Problems

    Directory of Open Access Journals (Sweden)

    Neng Wan

    2014-01-01

    Full Text Available In terms of the poor geometric adaptability of spline element method, a geometric precision spline method, which uses the rational Bezier patches to indicate the solution domain, is proposed for two-dimensional viscous uncompressed Navier-Stokes equation. Besides fewer pending unknowns, higher accuracy, and computation efficiency, it possesses such advantages as accurate representation of isogeometric analysis for object boundary and the unity of geometry and analysis modeling. Meanwhile, the selection of B-spline basis functions and the grid definition is studied and a stable discretization format satisfying inf-sup conditions is proposed. The degree of spline functions approaching the velocity field is one order higher than that approaching pressure field, and these functions are defined on one-time refined grid. The Dirichlet boundary conditions are imposed through the Nitsche variational principle in weak form due to the lack of interpolation properties of the B-splines functions. Finally, the validity of the proposed method is verified with some examples.

  17. Development of design method of thick rubber bearings for three-dimensional base isolation

    International Nuclear Information System (INIS)

    Yabana, Shuichi; Matuda, Akihiro

    2000-01-01

    Thick rubber bearings as 3-dimensional base isolators have been developed to reduce both horizontal and vertical seismic loads especially for equipment in Fast Breeder Reactors. In this report, a design method of thick rubber bearings is presented. To consider nonlinearity of vertical stiffness affected by vertical stress in the design of thick rubber bearings, Lindley's evaluation method of vertical stiffness is modified as an explicit form of vertical stress. We confirm that the presented method is efficient for design of the thick rubber bearings from comparing between test results and predicted values. Furthermore, rubber bearing tests are conducted with 1/3 scale models to evaluate mechanical properties of thick rubber bearings including ultimate limits. In the tests, horizontal and vertical characteristics of 1/3 scale model are compared with those of 1/6 scale model to discuss scale effect of test specimen. Ultimate limits such as failure shear strain of thick rubber bearings are obtained under various loading conditions. From the test results, we confirm that full scale thick rubber bearing to satisfy requirements is feasible. (author)

  18. A healing method of tympanic membrane perforations using three-dimensional porous chitosan scaffolds.

    Science.gov (United States)

    Kim, Jangho; Kim, Seung Won; Choi, Seong Jun; Lim, Ki Taek; Lee, Jong Bin; Seonwoo, Hoon; Choung, Pill-Hoon; Park, Keehyun; Cho, Chong-Su; Choung, Yun-Hoon; Chung, Jong Hoon

    2011-11-01

    Both surgical tympanoplasty and paper patch grafts are frequently procedured to heal tympanic membrane (TM) perforation or chronic otitis media, despite their many disadvantages. In this study, we report a new healing method of TM perforation by using three-dimensional (3D) porous chitosan scaffolds (3D chitosan scaffolds) as an alternative method to surgical treatment or paper patch graft. Various 3D chitosan scaffolds were prepared; and the structural characteristics, mechanical property, in vitro biocompatibility, and healing effects of the 3D chitosan scaffolds as an artificial TM in in vivo animal studies were investigated. A 3D chitosan scaffold of 5 wt.% chitosan concentration showed good proliferation of TM cells in an in vitro study, as well as suitable structural characteristics and mechanical property, as compared with either 1% or 3% chitosan. In in vivo animal studies, 3D chitosan scaffold were able to migrate through the pores and surfaces of TM cells, thus leading to more effective TM regeneration than paper patch technique. Histological observations demonstrated that the regenerated TM with the 3D chitosan scaffold consisted of three (epidermal, connective tissue, and mucosal) layers and were thicker than normal TMs. The 3D chitosan scaffold technique may be an optimal healing method used in lieu of surgical tympanoplasty in certain cases to heal perforated TMs.

  19. On the fragmentation of filaments in a molecular cloud simulation

    Science.gov (United States)

    Chira, R.-A.; Kainulainen, J.; Ibáñez-Mejía, J. C.; Henning, Th.; Mac Low, M.-M.

    2018-03-01

    Context. The fragmentation of filaments in molecular clouds has attracted a lot of attention recently as there seems to be a close relation between the evolution of filaments and star formation. The study of the fragmentation process has been motivated by simple analytical models. However, only a few comprehensive studies have analysed the evolution of filaments using numerical simulations where the filaments form self-consistently as part of large-scale molecular cloud evolution. Aim. We address the early evolution of parsec-scale filaments that form within individual clouds. In particular, we focus on three questions: How do the line masses of filaments evolve? How and when do the filaments fragment? How does the fragmentation relate to the line masses of the filaments? Methods: We examine three simulated molecular clouds formed in kiloparsec-scale numerical simulations performed with the FLASH adaptive mesh refinement magnetohydrodynamic code. The simulations model a self-gravitating, magnetised, stratified, supernova-driven interstellar medium, including photoelectric heating and radiative cooling. We follow the evolution of the clouds for 6 Myr from the time self-gravity starts to act. We identify filaments using the DisPerSe algorithm, and compare the results to other filament-finding algorithms. We determine the properties of the identified filaments and compare them with the predictions of analytic filament stability models. Results: The average line masses of the identified filaments, as well as the fraction of mass in filamentary structures, increases fairly continuously after the onset of self-gravity. The filaments show fragmentation starting relatively early: the first fragments appear when the line masses lie well below the critical line mass of Ostriker's isolated hydrostatic equilibrium solution ( 16 M⊙ pc-1), commonly used as a fragmentation criterion. The average line masses of filaments identified in three-dimensional volume density cubes

  20. A simplified method for rapid quantification of intracellular nucleoside triphosphates by one-dimensional thin-layer chromatography

    DEFF Research Database (Denmark)

    Jendresen, Christian Bille; Kilstrup, Mogens; Martinussen, Jan

    2011-01-01

    -pyrophosphate (PRPP), and inorganic pyrophosphate (PPi) in cell extracts. The method uses one-dimensional thin-layer chromatography (TLC) and radiolabeled biological samples. Nucleotides are resolved at the level of ionic charge in an optimized acidic ammonium formate and chloride solvent, permitting...... quantification of NTPs. The method is significantly simpler and faster than both current two-dimensional methods and high-performance liquid chromatography (HPLC)-based procedures, allowing a higher throughput while common sources of inaccuracies and technical problems are avoided. For determination of PPi...

  1. Three-dimensional display by computer graphics method of hepatocellular carcinoma using seen with the hepatic arteriogram

    International Nuclear Information System (INIS)

    Itsubo, Mariko; Kameda, Haruo; Suzuki, Naoki; Okamura, Tetsuo

    1989-01-01

    The method of three-dimensional display of hepatocellular carcinoma using conventional hepatic arteriogram by computer graphics method was newly exploited and applied in clinical use. Three-dimensional models were reconstructed from contour lines of tumors demonstrated as hypervascular lesions by hepatic arteriography. Although objects were limited by angiographic images in which tumors need to be demonstrated as nodules with hypervascularity, this method of three-dimensional display was not worse on accuracy than that using computed tomographic images. According to this method property of the tumor expressed by vascularity was demonstrated clear and in addition volume of the tumor was calculated easily. When the tumor arose in necrotic changes in which demonstrated as a vascular lesion by hepatic arteriography with reduction of size in usual by conservative treatment such as transcathter arterial embolization therapy, this three-dimensional display was able to demonstrate such changes clear. This preliminary study demonstrates the feasibility and clinical usefulness of three-dimensional display of hepatocellular carcinoma using hepatic arteriogram by computer graphics method. (author)

  2. A liquid chromatography-mass spectrometry method based on class characteristic fragmentation pathways to detect the class of indole-derivative synthetic cannabinoids in biological samples.

    Science.gov (United States)

    Mazzarino, Monica; de la Torre, Xavier; Botrè, Francesco

    2014-07-21

    This article describes a liquid chromatographic/tandem mass spectrometric method, based on the use of precursor ion scan as the acquisition mode, specifically developed to detect indole-derived cannabinoids (phenylacetylindoles, naphthoylindoles and benzoylindoles) in biological fluids (saliva, urine and blood). The method is designed to recognize one or more common "structural markers", corresponding to mass spectral fragments originating from the specific portion of the molecular structure that is common to the aminoalkylindole analogues and that is fundamental for their pharmacological classification. As such, the method is also suitable for detecting unknown substances, provided they contain the targeted portion of the molecular structure. The pre-treatment procedure consists in a liquid/liquid extraction step carried out at neutral pH: this is the only pretreatment in the case of analyses carried out in saliva, while it follows an enzymatic hydrolysis procedure in the case of urine samples, or a protein precipitation step in the case of blood samples. The chromatographic separation is achieved using an octadecyl reverse-phase 5 μm fused-core particle column; while the mass spectrometric detection is carried out by a triple-quadrupole instrument in positive electrospray ionization and precursor ion scan as acquisition mode, selecting, as mass spectral fragments, the indole (m/z 144), the carbonylnaphthalenyl (m/z 155) and the naphthalenyl (m/z 127) moieties. Once developed and optimized, the analytical procedure was validated in term of sensitivity (lower limits of detection in the range of 0.1-0.5 ng mL(-1)), specificity (no interference was detected at the retention times of the analytes under investigation), recovery (higher than 65% with a satisfactory repeatability: CV% lower than 10), matrix effect (lower than 30% for all the biological specimens tested), repeatability of the retention times (CV% lower than 0.1), robustness, and carry over (the positive

  3. [Significance of three-dimensional reconstruction as a method of preoperative planning of laparoscopic radiofrequency ablation].

    Science.gov (United States)

    Zhang, W W; Wang, H G; Shi, X J; Chen, M Y; Lu, S C

    2016-09-01

    To discuss the significance of three-dimensional reconstruction as a method of preoperative planning of laparoscopic radiofrequency ablation(LRFA). Thirty-two cases of LRFA admitted from January 2014 to December 2015 in Department of Hepatobiliary Surgery, Chinese People's Liberation Army General Hospital were analyzed(3D-LRFA group). Three-dimensional(3D) reconstruction were taken as a method of preoperative planning in 3D-LRFA group.Other 64 LRFA cases were paired over the same period without three-dimensional reconstruction before the operation (LRFA group). Hepatobiliary system contrast enhanced CT scan of 3D-RFA patients were taken by multi-slice spiral computed tomography(MSCT), and the DICOM data were processed by IQQA(®)-Liver and IQQA(®)-guide to make 3D reconstruction.Using 3D reconstruction model, diameter and scope of tumor were measured, suitable size (length and radiofrequency length) and number of RFA electrode were chosen, scope and effect of radiofrequency were simulated, reasonable needle track(s) was planed, position and angle of laparoscopic ultrasound (LUS) probe was designed and LUS image was simulated.Data of operation and recovery were collected and analyzed. Data between two sets of measurement data were compared with t test or rank sum test, and count data with χ(2) test or Fisher exact probability test.Tumor recurrence rate was analyzed with the Kaplan-Meier survival curve and Log-rank (Mantel-Cox) test. Compared with LRFA group ((216.8±66.2) minutes, (389.1±183.4) s), 3D-LRFA group ((173.3±59.4) minutes, (242.2±90.8) s) has shorter operation time(t=-3.138, P=0.002) and shorter mean puncture time(t=-2.340, P=0.021). There was no significant difference of blood loss(P=0.170), ablation rate (P=0.871) and incidence of complications(P=1.000). Compared with LRFA group ((6.3±3.9)days, (330±102)U/L, (167±64)ng/L), 3D-LRFA group ((4.3±3.1) days, (285±102) U/L, (139±43) ng/L) had shorter post-operative stay(t=-2.527, P=0.016), less

  4. A vector/parallel method for a three-dimensional transport model coupled with bio-chemical terms

    NARCIS (Netherlands)

    B.P. Sommeijer (Ben); J. Kok (Jan)

    1995-01-01

    textabstractA so-called fractional step method is considered for the time integration of a three-dimensional transport-chemical model in shallow seas. In this method, the transport part and the chemical part are treated separately by appropriate integration techniques. This separation is motivated

  5. Partition functions in even dimensional AdS via quasinormal mode methods

    International Nuclear Information System (INIS)

    Keeler, Cynthia; Ng, Gim Seng

    2014-01-01

    In this note, we calculate the one-loop determinant for a massive scalar (with conformal dimension Δ) in even-dimensional AdS d+1 space, using the quasinormal mode method developed in http://dx.doi.org/10.1088/0264-9381/27/12/125001 by Denef, Hartnoll, and Sachdev. Working first in two dimensions on the related Euclidean hyperbolic plane H 2 , we find a series of zero modes for negative real values of Δ whose presence indicates a series of poles in the one-loop partition function Z(Δ) in the Δ complex plane; these poles contribute temperature-independent terms to the thermal AdS partition function computed in http://dx.doi.org/10.1088/0264-9381/27/12/125001. Our results match those in a series of papers by Camporesi and Higuchi, as well as Gopakumar et al. http://dx.doi.org/10.1007/JHEP11(2011)010 and Banerjee et al. http://dx.doi.org/10.1007/JHEP03(2011)147. We additionally examine the meaning of these zero modes, finding that they Wick-rotate to quasinormal modes of the AdS 2 black hole. They are also interpretable as matrix elements of the discrete series representations of SO(2,1) in the space of smooth functions on S 1 . We generalize our results to general even dimensional AdS 2n , again finding a series of zero modes which are related to discrete series representations of SO(2n,1), the motion group of H 2n .

  6. Three-dimensional characterization of ODS ferritic steel using by FIB-SEM serial sectioning method.

    Science.gov (United States)

    Endo, T; Sugino, Y; Ohono, N; Ukai, S; Miyazaki, N; Wang, Y; Ohnuki, S

    2014-11-01

    Considerable attention has been paid to the research of the electron tomography due to determine the three-dimensional (3D) structure of materials [1]. One of the electron tomography techniques, focused ion beam/scanning electron microscopy (FIB-SEM) imaging has advantages of high resolutions (10 nm), large area observation (μm order) and simultaneous energy dispersive x- ray microanalysis (EDS)/ electron backscatter diffraction (EBSD) analysis. The purpose of this study, three-dimensional EBSD analysis of ODS ferritic steel which carried out cold work using FIB-SEM equipment was conducted, and it aimed at analyzing the microstructure obtained there. The zone annealing tests were conducted for ferritic steel [2,3], which were produced through mechanical alloying and hot-extrusion. After zone annealing, specimens were mechanically polished with #400∼4000 emery paper, 1 µm diamond paste and alumina colloidal silica. The serial sectioning and the 3D-electron backscattering diffraction (3D-EBSD) analysis were carried out. We made the micro pillar (30 x 30 x 15 µm). The EBSD measurements were carried out in each layer after serial sectioning at a step size and milling depth was 80 nm with 30 slices. After EBSD analysis, the series of cross-sectional images were aligned according to arbitrarily specified areas and then stacked up to form a volume. Consequently, we obtained the 3D-IPF maps for ODS ferritic steel. In this specimen, the {111} and {001} grains are layered by turns. In addition, the volume fraction value of both plane are similar. The aspect ratio increases with specimen depth. The 3D-EBSD mapping is useful to analysis of the bulk material since this method obtain many microstructure information, such a shape, volume and orientation of the crystal, grain boundary. © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  7. Hydrogen/deuterium exchange, a unique and effective method for MS fragmentation behavior elucidation of ginkgolides and its application to systematic research in Ginkgo biloba.

    Science.gov (United States)

    Niu, Xingliang; Luo, Jun; Xu, Deran; Zou, Hongyan; Kong, Lingyi

    2017-02-05

    Ginkgolides, the main active constituents of Ginkgo biloba, possess significant selectively inhibition on platelet-activating factor and pancreatic lipase and attract wide attention in pharmacological research area. In our study, an effective hydrogen/deuterium (H/D) exchange method was developed by exchanging the α-Hs of lactone groups in ginkgolides with Ds, which was very useful for the elucidation of the fragmentation patterns of ginkgolides in Quadrupole Time-of-flight Mass Spectrometry (Q-TOF-MS), especially in accurately distinguishing the type and position of substituent in framework of ginkgolides. Then, a systematic research strategy for qualitative and quantitative analysis of ginkgolides, based on H/D exchange, tandem solid-phase extraction and LC-Q-TOF-MS, was developed, which was successfully applied in each medicinal part of G. biloba, which indicated that ginkgolide B was the most abundant ginkgolide in the seeds of G. biloba (60.6μg/g). This research was the successful application of H/D exchange in natural products, and proved that H/D exchange is a potential method for analysis research of complex TCMs active constituents. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. A two-dimensional, finite-element methods for calculating TF coil response to out-of-plane Lorentz forces

    International Nuclear Information System (INIS)

    Witt, R.J.

    1989-01-01

    Toroidal field (TF) coils in fusion systems are routinely operated at very high magnetic fields. While obtaining the response of the coil to in-plane loads is relatively straightforward, the same is not true for the out-of-plane loads. Previous treatments of the out-of-plane problem have involved large, three-dimensional finite element idealizations. A new treatment of the out-of-plane problem is presented here; the model is two-dimensional in nature, and consumes far less CPU-time than three-dimensional methods. The approach assumes there exists a region of torsional deformation in the inboard leg and a bending region in the outboard leg. It also assumes the outboard part of the coil is attached to a torque frame/cylinder, which experiences primarily torsional deformation. Three-dimensional transition regions exist between the inboard and outboard legs and between the outboard leg and the torque frame. By considering several idealized problems of cylindrical shells subjected to moment distributions, it is shown that the size of these three-dimensional regions is quite small, and that the interaction between the torsional and bending regions can be treated in an equivalent two-dimensional fashion. Equivalent stiffnesses are derived to model penetration into and twist along the cylinders. These stiffnesses are then used in a special substructuring analysis to couple the three regions together. Results from the new method are compared to results from a 3D continuum model. (orig.)

  9. Unified Theoretical Frame of a Joint Transmitter-Receiver Reduced Dimensional STAP Method for an Airborne MIMO Radar

    Directory of Open Access Journals (Sweden)

    Guo Yiduo

    2016-10-01

    Full Text Available The unified theoretical frame of a joint transmitter-receiver reduced dimensional Space-Time Adaptive Processing (STAP method is studied for an airborne Multiple-Input Multiple-Output (MIMO radar. First, based on the transmitted waveform diverse characteristics of the transmitted waveform of the airborne MIMO radar, a uniform theoretical frame structure for the reduced dimensional joint adaptive STAP is constructed. Based on it, three reduced dimensional STAP fixed structures are established. Finally, three reduced rank STAP algorithms, which are suitable for a MIMO system, are presented corresponding to the three reduced dimensional STAP fixed structures. The simulations indicate that the joint adaptive algorithms have preferable clutter suppression and anti-interference performance.

  10. Universal elements of fragmentation

    International Nuclear Information System (INIS)

    Yanovsky, V. V.; Tur, A. V.; Kuklina, O. V.

    2010-01-01

    A fragmentation theory is proposed that explains the universal asymptotic behavior of the fragment-size distribution in the large-size range, based on simple physical principles. The basic principles of the theory are the total mass conservation in a fragmentation process and a balance condition for the energy expended in increasing the surface of fragments during their breakup. A flux-based approach is used that makes it possible to supplement the basic principles and develop a minimal theory of fragmentation. Such a supplementary principle is that of decreasing fragment-volume flux with increasing energy expended in fragmentation. It is shown that the behavior of the decreasing flux is directly related to the form of a power-law fragment-size distribution. The minimal theory is used to find universal asymptotic fragment-size distributions and to develop a natural physical classification of fragmentation models. A more general, nonlinear theory of strong fragmentation is also developed. It is demonstrated that solutions to a nonlinear kinetic equation consistent with both basic principles approach a universal asymptotic size distribution. Agreement between the predicted asymptotic fragment-size distributions and experimental observations is discussed.

  11. Application of a method for comparing one-dimensional and two-dimensional models of a ground-water flow system

    International Nuclear Information System (INIS)

    Naymik, T.G.

    1978-01-01

    To evaluate the inability of a one-dimensional ground-water model to interact continuously with surrounding hydraulic head gradients, simulations using one-dimensional and two-dimensional ground-water flow models were compared. This approach used two types of models: flow-conserving one-and-two dimensional models, and one-dimensional and two-dimensional models designed to yield two-dimensional solutions. The hydraulic conductivities of controlling features were varied and model comparison was based on the travel times of marker particles. The solutions within each of the two model types compare reasonably well, but a three-dimensional solution is required to quantify the comparison

  12. Analysis of one-dimensional nonequilibrium two-phase flow using control volume method

    International Nuclear Information System (INIS)

    Minato, Akihiko; Naitoh, Masanori

    1987-01-01

    A one-dimensional numerical analysis model was developed for prediction of rapid flow transient behavior involving boiling. This model was based on six conservation equations of time averaged parameters of gas and liquid behavior. These equations were solved by using a control volume method with an explicit time integration. This model did not use staggered mesh scheme, which had been commonly used in two-phase flow analysis. Because void fraction and velocity of each phase were defined at the same location in the present model, effects of void fraction on phase velocity calculation were treated directly without interpolation. Though non-staggered mesh scheme was liable to cause numerical instability with zigzag pressure field, stability was achieved by employing the Godunov method. In order to verify the present analytical model, Edwards' pipe blow down and Zaloudek's initially subcooled critical two-phase flow experiments were analyzed. Stable solutions were obtained for rarefaction wave propagation with boiling and transient two-phase flow behavior in a broken pipe by using this model. (author)

  13. Three-dimensional numerical study on the mechanism of anisotropic MCCI by improved MPS method

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xin, E-mail: lixin@fuji.waseda.jp; Yamaji, Akifumi

    2017-04-01

    Highlights: • 3-D simulation of a MCCI test was presented with improved moving particle method. • The influence of thermally stable silica aggregates on MCCI has been investigated. • The mechanisms for isotropic/anisotropic ablation have been clarified mechanistically. - Abstract: In two-dimensional (2-D) molten corium-concrete interaction (MCCI) experiments with prototypic corium and siliceous concrete, the more pronounced lateral concrete erosion behavior than that in the axial direction, namely anisotropic ablation, has been a research interest. However, the knowledge of the mechanism on this anisotropic ablation behavior, which is important for severe accident analysis and management, is still limited. In this paper, 3-D simulation of 2-D MCCI experiment VULCANO VB-U7 has been carried out with improved Moving Particle Semi-implicit (MPS) method. Heat conduction, phase change, and corium viscosity models have been developed and incorporated into MPS code MPS-SW-MAIN-Ver.2.0 for current study. The influence of thermally stable silica aggregates has been investigated by setting up different simulation cases for analysis. The simulation results suggested reasonable models and assumptions to be considered in order to achieve best estimation of MCCI with prototypic oxidic corium and siliceous concrete. The simulation results also indicated that silica aggregates can contribute to anisotropic ablation. The mechanisms for anisotropic ablation pattern in siliceous concrete as well as isotropic ablation pattern in limestone-rich concrete have been clarified from a mechanistic perspective.

  14. Three-dimensional reconstruction volume: a novel method for volume measurement in kidney cancer.

    Science.gov (United States)

    Durso, Timothy A; Carnell, Jonathan; Turk, Thomas T; Gupta, Gopal N

    2014-06-01

    The role of volumetric estimation is becoming increasingly important in the staging, management, and prognostication of benign and cancerous conditions of the kidney. We evaluated the use of three-dimensional reconstruction volume (3DV) in determining renal parenchymal volumes (RPV) and renal tumor volumes (RTV). We compared 3DV with the currently available methods of volume assessment and determined its interuser reliability. RPV and RTV were assessed in 28 patients who underwent robot-assisted laparoscopic partial nephrectomy for kidney cancer. Patients with a preoperative creatinine level of kidney pre- and postsurgery overestimated 3D reconstruction volumes by 15% to 102% and 12% to 101%, respectively. In addition, volumes obtained from 3DV displayed high interuser reliability regardless of experience. 3DV provides a highly reliable way of assessing kidney volumes. Given that 3DV takes into account visible anatomy, the differences observed using previously published methods can be attributed to the failure of geometry to accurately approximate kidney or tumor shape. 3DV provides a more accurate, reproducible, and clinically useful tool for urologists looking to improve patient care using analysis related to volume.

  15. A parallel algorithm for the two-dimensional time fractional diffusion equation with implicit difference method.

    Science.gov (United States)

    Gong, Chunye; Bao, Weimin; Tang, Guojian; Jiang, Yuewen; Liu, Jie

    2014-01-01

    It is very time consuming to solve fractional differential equations. The computational complexity of two-dimensional fractional differential equation (2D-TFDE) with iterative implicit finite difference method is O(M(x)M(y)N(2)). In this paper, we present a parallel algorithm for 2D-TFDE and give an in-depth discussion about this algorithm. A task distribution model and data layout with virtual boundary are designed for this parallel algorithm. The experimental results show that the parallel algorithm compares well with the exact solution. The parallel algorithm on single Intel Xeon X5540 CPU runs 3.16-4.17 times faster than the serial algorithm on single CPU core. The parallel efficiency of 81 processes is up to 88.24% compared with 9 processes on a distributed memory cluster system. We do think that the parallel computing technology will become a very basic method for the computational intensive fractional applications in the near future.

  16. Combining Capability Assessment and Value Engineering: a New Two-dimensional Method for Software Process Improvement

    Directory of Open Access Journals (Sweden)

    Pasi Ojala

    2008-02-01

    Full Text Available During the last decades software process improvement (SPI has been recognized as a usable possibility to increase the quality of software development. Implemented SPI investments have often indicated increased process capabilities as well. Recently more attention has been focused on the costs of SPI as well as on the cost-effectiveness and productivity of software development, although the roots of economic-driven software engineering originate from the very early days of software engineering research. This research combines Value Engineering and capability assessment into usable new method in order to better respond to the challenges that cost-effectiveness and productivity has brought to software companies. This is done in part by defining the concepts of value, worth and cost and in part by defining the Value Engineering process and different enhancements it has seen to offer to software assessment. The practical industrial cases show that proposed two-dimensional method works in practise and is useful to assessed companies.

  17. Application of finite-element method to three-dimensional nuclear reactor analysis

    International Nuclear Information System (INIS)

    Cheung, K.Y.

    1985-01-01

    The application of the finite element method to solve a realistic one-or-two energy group, multiregion, three-dimensional static neutron diffusion problem is studied. Linear, quadratic, and cubic serendipity box-shape elements are used. The resulting sets of simultaneous algebraic equations with thousands of unknowns are solved by the conjugate gradient method, without forming the large coefficient matrix explicitly. This avoids the complicated data management schemes to store such a large coefficient matrix. Three finite-element computer programs: FEM-LINEAR, FEM-QUADRATIC and FEM-CUBIC were developed, using the linear, quadratic, and cubic box-shape elements respectively. They are self-contained, using simple nodal labeling schemes, without the need for separate finite element mesh generating routines. The efficiency and accuracy of these computer programs are then compared among themselves, and with other computer codes. The cubic element model is not recommended for practical usage because it gives almost identical results as the quadratic model, but it requires considerably longer computation time. The linear model is less accurate than the quadratic model, but it requires much shorter computation time. For a large 3-D problem, the linear model is to be preferred since it gives acceptable accuracy. The quadratic model may be used if improved accuracy is desired

  18. An efficicient data structure for three-dimensional vertex based finite volume method

    Science.gov (United States)

    Akkurt, Semih; Sahin, Mehmet

    2017-11-01

    A vertex based three-dimensional finite volume algorithm has been developed using an edge based data structure.The mesh data structure of the given algorithm is similar to ones that exist in the literature. However, the data structures are redesigned and simplied in order to fit requirements of the vertex based finite volume method. In order to increase the cache efficiency, the data access patterns for the vertex based finite volume method are investigated and these datas are packed/allocated in a way that they are close to each other in the memory. The present data structure is not limited with tetrahedrons, arbitrary polyhedrons are also supported in the mesh without putting any additional effort. Furthermore, the present data structure also supports adaptive refinement and coarsening. For the implicit and parallel implementation of the FVM algorithm, PETSc and MPI libraries are employed. The performance and accuracy of the present algorithm are tested for the classical benchmark problems by comparing the CPU time for the open source algorithms.

  19. Examination and Improvement of Accuracy of Three-Dimensional Elastic Crack Solutions Obtained Using Finite Element Alternating Method

    International Nuclear Information System (INIS)

    Park, Jai Hak; Nikishkov, G. P.

    2010-01-01

    An SGBEM (symmetric Galerkin boundary element method)-FEM alternating method has been proposed by Nikishkov, Park and Atluri. This method can be used to obtain mixed-mode stress intensity factors for planar and nonplanar three-dimensional cracks having an arbitrary shape. For field applications, however, it is necessary to verify the accuracy and consistency of this method. Therefore, in this study, we investigate the effects of several factors on the accuracy of the stress intensity factors obtained using the above mentioned alternating method. The obtained stress intensity factors are compared with the known values provided in handbooks, especially in the case of internal and external circumferential semi-elliptical surface cracks. The results show that the SGBEM-FEM alternating method yields accurate stress intensity factors for three-dimensional cracks, including internal and external circumferential surface cracks and that the method can be used as a robust crack analysis tool for solving field problems

  20. A Dimensionality Reduction-Based Multi-Step Clustering Method for Robust Vessel Trajectory Analysis

    Directory of Open Access Journals (Sweden)

    Huanhuan Li

    2017-08-01

    Full Text Available The Shipboard Automatic Identification System (AIS is crucial for navigation safety and maritime surveillance, data mining and pattern analysis of AIS information have attracted considerable attention in terms of both basic research and practical applications. Clustering of spatio-temporal AIS trajectories can be used to identify abnormal patterns and mine customary route data for transportation safety. Thus, the capacities of navigation safety and maritime traffic monitoring could be enhanced correspondingly. However, trajectory clustering is often sensitive to undesirable outliers and is essentially more complex compared with traditional point clustering. To overcome this limitation, a multi-step trajectory clustering method is proposed in this paper for robust AIS trajectory clustering. In particular, the Dynamic Time Warping (DTW, a similarity measurement method, is introduced in the first step to measure the distances between different trajectories. The calculated distances, inversely proportional to the similarities, constitute a distance matrix in the second step. Furthermore, as a widely-used dimensional reduction method, Principal Component Analysis (PCA is exploited to decompose the obtained distance matrix. In particular, the top k principal components with above 95% accumulative contribution rate are extracted by PCA, and the number of the centers k is chosen. The k centers are found by the improved center automatically selection algorithm. In the last step, the improved center clustering algorithm with k clusters is implemented on the distance matrix to achieve the final AIS trajectory clustering results. In order to improve the accuracy of the proposed multi-step clustering algorithm, an automatic algorithm for choosing the k clusters is developed according to the similarity distance. Numerous experiments on realistic AIS trajectory datasets in the bridge area waterway and Mississippi River have been implemented to compare our

  1. A Dimensionality Reduction-Based Multi-Step Clustering Method for Robust Vessel Trajectory Analysis.

    Science.gov (United States)

    Li, Huanhuan; Liu, Jingxian; Liu, Ryan Wen; Xiong, Naixue; Wu, Kefeng; Kim, Tai-Hoon

    2017-08-04

    The Shipboard Automatic Identification System (AIS) is crucial for navigation safety and maritime surveillance, data mining and pattern analysis of AIS information have attracted considerable attention in terms of both basic research and practical applications. Clustering of spatio-temporal AIS trajectories can be used to identify abnormal patterns and mine customary route data for transportation safety. Thus, the capacities of navigation safety and maritime traffic monitoring could be enhanced correspondingly. However, trajectory clustering is often sensitive to undesirable outliers and is essentially more complex compared with traditional point clustering. To overcome this limitation, a multi-step trajectory clustering method is proposed in this paper for robust AIS trajectory clustering. In particular, the Dynamic Time Warping (DTW), a similarity measurement method, is introduced in the first step to measure the distances between different trajectories. The calculated distances, inversely proportional to the similarities, constitute a distance matrix in the second step. Furthermore, as a widely-used dimensional reduction method, Principal Component Analysis (PCA) is exploited to decompose the obtained distance matrix. In particular, the top k principal components with above 95% accumulative contribution rate are extracted by PCA, and the number of the centers k is chosen. The k centers are found by the improved center automatically selection algorithm. In the last step, the improved center clustering algorithm with k clusters is implemented on the distance matrix to achieve the final AIS trajectory clustering results. In order to improve the accuracy of the proposed multi-step clustering algorithm, an automatic algorithm for choosing the k clusters is developed according to the similarity distance. Numerous experiments on realistic AIS trajectory datasets in the bridge area waterway and Mississippi River have been implemented to compare our proposed method with

  2. Optimized negative dimensional integration method (NDIM) and multiloop Feynman diagram calculation

    International Nuclear Information System (INIS)

    Gonzalez, Ivan; Schmidt, Ivan

    2007-01-01

    We present an improved form of the integration technique known as NDIM (negative dimensional integration method), which is a powerful tool in the analytical evaluation of Feynman diagrams. Using this technique we study a φ 3 +φ 4 theory in D=4-2ε dimensions, considering generic topologies of L loops and E independent external momenta, and where the propagator powers are arbitrary. The method transforms the Schwinger parametric integral associated to the diagram into a multiple series expansion, whose main characteristic is that the argument contains several Kronecker deltas which appear naturally in the application of the method, and which we call diagram presolution. The optimization we present here consists in a procedure that minimizes the series multiplicity, through appropriate factorizations in the multinomials that appear in the parametric integral, and which maximizes the number of Kronecker deltas that are generated in the process. The solutions are presented in terms of generalized hypergeometric functions, obtained once the Kronecker deltas have been used in the series. Although the technique is general, we apply it to cases in which there are 2 or 3 different energy scales (masses or kinematic variables associated to the external momenta), obtaining solutions in terms of a finite sum of generalized hypergeometric series 1 and 2 variables respectively, each of them expressible as ratios between the different energy scales that characterize the topology. The main result is a method capable of solving Feynman integrals, expressing the solutions as hypergeometric series of multiplicity (n-1), where n is the number of energy scales present in the diagram

  3. Estimation of center line and diameter of brain blood vessel using three-dimensional blood vessel matching method with head three-dimensional CTA image

    International Nuclear Information System (INIS)

    Maekawa, Masashi; Shinohara, Toshihiro; Nakayama, Masato; Nakasako, Noboru

    2010-01-01

    To support and automate the brain blood vessel disease diagnosis, a novel method to obtain the center line and the diameter of a blood vessel is proposed with a three-dimensional head computed tomographic angiography (CTA) image. Although the line thinning processing with distance transform or gray information is generally used to obtain the blood vessel center line, this method is not essentially one to obtain the center line and tends to yield extra lines depending on CTA images. In this study, the center line of the blood vessel is obtained by tracing the vessel. The blood vessel is traced by sequentially estimating the center point and direction of the blood vessel. The center point and direction of the blood vessel are estimated by taking the correlation between the blood vessel and a solid model of the blood vessel that is designed by considering noise influence. In addition, the vessel diameter is also estimated by correlating the blood vessel and the blood vessel model of which the diameter is variable. The validity of the proposed method is confirmed by experimentally applied the proposed method to an actual three-dimensional head CTA image. (author)

  4. Scaling invariance of spherical projectile fragmentation upon high-velocity impact on a thin continuous shield

    Energy Technology Data Exchange (ETDEWEB)

    Myagkov, N. N., E-mail: nn-myagkov@mail.ru [Russian Academy of Sciences, Institute of Applied Mechanics (Russian Federation)

    2017-01-15

    The problem of aluminum projectile fragmentation upon high-velocity impact on a thin aluminum shield is considered. A distinctive feature of this description is that the fragmentation has been numerically simulated using the complete system of equations of deformed solid mechanics by a method of smoothed particle hydrodynamics in three-dimensional setting. The transition from damage to fragmentation is analyzed and scaling relations are derived in terms of the impact velocity (V), ratio of shield thickness to projectile diameter (h/D), and ultimate strength (σ{sub p}) in the criterion of projectile and shield fracture. Analysis shows that the critical impact velocity V{sub c} (separating the damage and fragmentation regions) is a power function of σ{sub p} and h/D. In the supercritical region (V > V{sub c}), the weight-average fragment mass asymptotically tends to a power function of the impact velocity with exponent independent of h/D and σ{sub p}. Mean cumulative fragment mass distributions at the critical point are scale-invariant with respect to parameters h/D and σ{sub p}. Average masses of the largest fragments are also scale-invariant at V > V{sub c}, but only with respect to variable parameter σ{sub p}.

  5. Hydrogeophysical exploration of three-dimensional salinity anomalies with the time-domain electromagnetic method (TDEM)

    DEFF Research Database (Denmark)

    Bauer-Gottwein, Peter; Gondwe, Bibi Ruth Neuman; Christiansen, Lars

    2010-01-01

    Delta is presented. Evaporative salt enrichment causes a strong salinity anomaly under the island. We show that the TDEM field data cannot be interpreted in terms of standard one-dimensional layered-earth TDEM models, because of the strongly three-dimensional nature of the salinity anomaly. Three...

  6. Three-dimensional registration methods for multi-modal magnetic resonance neuroimages

    International Nuclear Information System (INIS)

    Triantafyllou, C.

    2001-08-01

    In this thesis, image alignment techniques are developed and evaluated for applications in neuroimaging. In particular, the problem of combining cross-sequence MRI (Magnetic Resonance Imaging) intra-subject scans is considered. The challenge in this case is to find topographically uniform mappings in order to register (find a mapping between) low resolution echo-planar images and their high resolution structural counterparts. Such an approach enables us to effectually fuse, in a clinically useful way, information across scans. This dissertation devises a new framework by which this may be achieved, involving appropriate optimisation of the required mapping functions, which turn out to be non-linear and high-dimensional in nature. Novel ways to constrain and regularise these functions to enhance the computational speed of the process and the accuracy of the solution are also studied. The algorithms, whose characteristics are demonstrated for this specific application should be fully generalisable to other medical imaging modalities and potentially, other areas of image processing. To begin with, some existing registration methods are reviewed, followed by the introduction of an automated global 3-D registration method. Its performance is investigated on extracted cortical and ventricular surfaces by utilising the principles of the chamfer matching approach. Evaluations on synthetic and real data-sets, are performed to show that removal of global image differences is possible in principle, although the true accuracy of the method depends on the type of geometrical distortions present. These results also reveal that this class of algorithm is unable to solve more localised variations and higher order magnetic field distortions between the images. These facts motivate the development of a high-dimensional 3-D registration method capable of effecting a one-to-one correspondence by capturing the localised differences. This method was seen to account not only for

  7. A hybrid method for quasi-three-dimensional slope stability analysis in a municipal solid waste landfill

    International Nuclear Information System (INIS)

    Yu, L.; Batlle, F.

    2011-01-01

    Highlights: → A quasi-three-dimensional slope stability analysis method was proposed. → The proposed method is a good engineering tool for 3D slope stability analysis. → Factor of safety from 3D analysis is higher than from 2D analysis. → 3D analysis results are more sensitive to cohesion than 2D analysis. - Abstract: Limited space for accommodating the ever increasing mounds of municipal solid waste (MSW) demands the capacity of MSW landfill be maximized by building landfills to greater heights with steeper slopes. This situation has raised concerns regarding the stability of high MSW landfills. A hybrid method for quasi-three-dimensional slope stability analysis based on the finite element stress analysis was applied in a case study at a MSW landfill in north-east Spain. Potential slides can be assumed to be located within the waste mass due to the lack of weak foundation soils and geosynthetic membranes at the landfill base. The only triggering factor of deep-seated slope failure is the higher leachate level and the relatively high and steep slope in the front. The valley-shaped geometry and layered construction procedure at the site make three-dimensional slope stability analyses necessary for this landfill. In the finite element stress analysis, variations of leachate level during construction and continuous settlement of the landfill were taken into account. The 'equivalent' three-dimensional factor of safety (FoS) was computed from the individual result of the two-dimensional analysis for a series of evenly spaced cross sections within the potential sliding body. Results indicate that the hybrid method for quasi-three-dimensional slope stability analysis adopted in this paper is capable of locating roughly the spatial position of the potential sliding mass. This easy to manipulate method can serve as an engineering tool in the preliminary estimate of the FoS as well as the approximate position and extent of the potential sliding mass. The result that

  8. A method of integration of atomistic simulations and continuum mechanics by collecting of dynamical systems with dimensional reduction

    International Nuclear Information System (INIS)

    Kaczmarek, J.

    2002-01-01

    Elementary processes responsible for phenomena in material are frequently related to scale close to atomic one. Therefore atomistic simulations are important for material sciences. On the other hand continuum mechanics is widely applied in mechanics of materials. It seems inevitable that both methods will gradually integrate. A multiscale method of integration of these approaches called collection of dynamical systems with dimensional reduction is introduced in this work. The dimensional reduction procedure realizes transition between various scale models from an elementary dynamical system (EDS) to a reduced dynamical system (RDS). Mappings which transform variables and forces, skeletal dynamical system (SDS) and a set of approximation and identification methods are main components of this procedure. The skeletal dynamical system is a set of dynamical systems parameterized by some constants and has variables related to the dimensionally reduced model. These constants are identified with the aid of solutions of the elementary dynamical system. As a result we obtain a dimensionally reduced dynamical system which describes phenomena in an averaged way in comparison with the EDS. Concept of integration of atomistic simulations with continuum mechanics consists in using a dynamical system describing evolution of atoms as an elementary dynamical system. Then, we introduce a continuum skeletal dynamical system within the dimensional reduction procedure. In order to construct such a system we have to modify a continuum mechanics formulation to some degree. Namely, we formalize scale of averaging for continuum theory and as a result we consider continuum with finite-dimensional fields only. Then, realization of dimensional reduction is possible. A numerical example of realization of the dimensional reduction procedure is shown. We consider a one dimensional chain of atoms interacting by Lennard-Jones potential. Evolution of this system is described by an elementary

  9. A proposal of a three-dimensional CT measurement method of maxillofacial structure

    International Nuclear Information System (INIS)

    Tanaka, Ray; Hayashi, Takafumi

    2007-01-01

    Three-dimensional CT measurement is put in practice in order to grasp the pathological condition on diseases such as the temporomandibular joint disorder, maxillofacial anomaly, jaw deformity, or fracture which cause the morphologic changes of the maxillofacial bones. On the 3D measurement, the unique system that is obtained by volume rendering 3D images with a simultaneous reference of axial images combined with coronal and sagittal multi-planar reconstruction (MPR) images (we call this MPR referential method), is employed in order to define the measurement points. Our purpose in this report is to indicate the usefulness of this unique method by comparing with the common way to define the measurement points on only 3D reconstruction images without consulting of MPR images. Clinical CT data obtained from a male patient with skeletal malocclusion was used. Contiguous axial images were reconstructed at 4 times magnification, with a reconstruction interval of 0.5 mm, focused on the temporomandibular joint region in his left side. After these images were converted to Digital Imaging and Communications in Medicine (DICOM) format and sent to personal computer (PC), 3D reconstruction image was created using free 3D DICOM medical image viewer. The coordinates of 3 measurement points (the lateral and medial pole of the mandibular condyle, and the left foramen ovale) were defined with MPR images (MPR coordinates) as reference coordinates, and then the coordinates that were defined on only 3D reconstruction image without consulting to MPR images (3D coordinates) were compared to those of MPR coordinates. Three examiners were engaged independently 10 times for every measurement point. In our result, there was no correspondence between 3D coordinates and MPR coordinates, and contribution of 3D coordinates showed a variety in every measurement point and in every observer. We deemed that ''MPR referential method'' is useful to assess the location of the target point of anatomical

  10. A safe and efficient method to retrieve mesenchymal stem cells from three-dimensional fibrin gels.

    Science.gov (United States)

    Carrion, Bita; Janson, Isaac A; Kong, Yen P; Putnam, Andrew J

    2014-03-01

    Mesenchymal stem cells (MSCs) display multipotent characteristics that make them ideal for potential therapeutic applications. MSCs are typically cultured as monolayers on tissue culture plastic, but there is increasing evidence suggesting that they may lose their multipotency over time in vitro and eventually cease to retain any resemblance to in vivo resident MSCs. Three-dimensional (3D) culture systems that more closely recapitulate the physiological environment of MSCs and other cell types are increasingly explored for their capacity to support and maintain the cell phenotypes. In much of our own work, we have utilized fibrin, a natural protein-based material that serves as the provisional extracellular matrix during wound healing. Fibrin has proven to be useful in numerous tissue engineering applications and has been used clinically as a hemostatic material. Its rapid self-assembly driven by thrombin-mediated alteration of fibrinogen makes fibrin an attractive 3D substrate, in which cells can adhere, spread, proliferate, and undergo complex morphogenetic programs. However, there is a significant need for simple cost-effective methods to safely retrieve cells encapsulated within fibrin hydrogels to perform additional analyses or use the cells for therapy. Here, we present a safe and efficient protocol for the isolation of MSCs from 3D fibrin gels. The key ingredient of our successful extraction method is nattokinase, a serine protease of the subtilisin family that has a strong fibrinolytic activity. Our data show that MSCs recovered from 3D fibrin gels using nattokinase are not only viable but also retain their proliferative and multilineage potentials. Demonstrated for MSCs, this method can be readily adapted to retrieve any other cell type from 3D fibrin gel constructs for various applications, including expansion, bioassays, and in vivo implantation.

  11. A three-dimensional strain measurement method in elastic transparent materials using tomographic particle image velocimetry.

    Directory of Open Access Journals (Sweden)

    Azuma Takahashi

    Full Text Available The mechanical interaction between blood vessels and medical devices can induce strains in these vessels. Measuring and understanding these strains is necessary to identify the causes of vascular complications. This study develops a method to measure the three-dimensional (3D distribution of strain using tomographic particle image velocimetry (Tomo-PIV and compares the measurement accuracy with the gauge strain in tensile tests.The test system for measuring 3D strain distribution consists of two cameras, a laser, a universal testing machine, an acrylic chamber with a glycerol water solution for adjusting the refractive index with the silicone, and dumbbell-shaped specimens mixed with fluorescent tracer particles. 3D images of the particles were reconstructed from 2D images using a multiplicative algebraic reconstruction technique (MART and motion tracking enhancement. Distributions of the 3D displacements were calculated using a digital volume correlation. To evaluate the accuracy of the measurement method in terms of particle density and interrogation voxel size, the gauge strain and one of the two cameras for Tomo-PIV were used as a video-extensometer in the tensile test. The results show that the optimal particle density and interrogation voxel size are 0.014 particles per pixel and 40 × 40 × 40 voxels with a 75% overlap. The maximum measurement error was maintained at less than 2.5% in the 4-mm-wide region of the specimen.We successfully developed a method to experimentally measure 3D strain distribution in an elastic silicone material using Tomo-PIV and fluorescent particles. To the best of our knowledge, this is the first report that applies Tomo-PIV to investigate 3D strain measurements in elastic materials with large deformation and validates the measurement accuracy.

  12. A coupled Eulerian/Lagrangian method for the solution of three-dimensional vortical flows

    Science.gov (United States)

    Felici, Helene Marie

    1992-01-01

    A coupled Eulerian/Lagrangian method is presented for the reduction of numerical diffusion observed in solutions of three-dimensional rotational flows using standard Eulerian finite-volume time-marching procedures. A Lagrangian particle tracking method using particle markers is added to the Eulerian time-marching procedure and provides a correction of the Eulerian solution. In turn, the Eulerian solutions is used to integrate the Lagrangian state-vector along the particles trajectories. The Lagrangian correction technique does not require any a-priori information on the structure or position of the vortical regions. While the Eulerian solution ensures the conservation of mass and sets the pressure field, the particle markers, used as 'accuracy boosters,' take advantage of the accurate convection description of the Lagrangian solution and enhance the vorticity and entropy capturing capabilities of standard Eulerian finite-volume methods. The combined solution procedures is tested in several applications. The convection of a Lamb vortex in a straight channel is used as an unsteady compressible flow preservation test case. The other test cases concern steady incompressible flow calculations and include the preservation of turbulent inlet velocity profile, the swirling flow in a pipe, and the constant stagnation pressure flow and secondary flow calculations in bends. The last application deals with the external flow past a wing with emphasis on the trailing vortex solution. The improvement due to the addition of the Lagrangian correction technique is measured by comparison with analytical solutions when available or with Eulerian solutions on finer grids. The use of the combined Eulerian/Lagrangian scheme results in substantially lower grid resolution requirements than the standard Eulerian scheme for a given solution accuracy.

  13. Extended Jacobi Elliptic Function Rational Expansion Method and Its Application to (2+1)-Dimensional Stochastic Dispersive Long Wave System

    International Nuclear Information System (INIS)

    Song Lina; Zhang Hongqing

    2007-01-01

    In this work, by means of a generalized method and symbolic computation, we extend the Jacobi elliptic function rational expansion method to uniformly construct a series of stochastic wave solutions for stochastic evolution equations. To illustrate the effectiveness of our method, we take the (2+1)-dimensional stochastic dispersive long wave system as an example. We not only have obtained some known solutions, but also have constructed some new rational formal stochastic Jacobi elliptic function solutions.

  14. Use of exact albedo conditions in numerical methods for one-dimensional one-speed discrete ordinates eigenvalue problems

    International Nuclear Information System (INIS)

    Abreu, M.P. de

    1994-01-01

    The use of exact albedo boundary conditions in numerical methods applied to one-dimensional one-speed discrete ordinates (S n ) eigenvalue problems for nuclear reactor global calculations is described. An albedo operator that treats the reflector region around a nuclear reactor core implicitly is described and exactly was derived. To illustrate the method's efficiency and accuracy, it was used conventional linear diamond method with the albedo option to solve typical model problems. (author)

  15. Two-dimensional transient thermal analysis of a fuel rod by finite volume method

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Rhayanne Yalle Negreiros; Silva, Mário Augusto Bezerra da; Lira, Carlos Alberto de Oliveira, E-mail: ryncosta@gmail.com, E-mail: mabs500@gmail.com, E-mail: cabol@ufpe.br [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Departamento de Energia Nuclear

    2017-07-01

    One of the greatest concerns when studying a nuclear reactor is the warranty of safe temperature limits all over the system at all time. The preservation of core structure along with the constraint of radioactive material into a controlled system are the main focus during the operation of a reactor. The purpose of this paper is to present the temperature distribution for a nominal channel of the AP1000 reactor developed by Westinghouse Co. during steady-state and transient operations. In the analysis, the system was subjected to normal operation conditions and then to blockages of the coolant flow. The time necessary to achieve a new safe stationary stage (when it was possible) was presented. The methodology applied in this analysis was based on a two-dimensional survey accomplished by the application of Finite Volume Method (FVM). A steady solution is obtained and compared with an analytical analysis that disregard axial heat transport to determine its relevance. The results show the importance of axial heat transport consideration in this type of study. A transient analysis shows the behavior of the system when submitted to coolant blockage at channel's entrance. Three blockages were simulated (10%, 20% and 30%) and the results show that, for a nominal channel, the system can still be considerate safe (there's no bubble formation until that point). (author)

  16. The study of three-dimensional net method of deformation observation

    International Nuclear Information System (INIS)

    Jia Jinyun

    1996-12-01

    Due to the influence of all kinds of factors, when buildings and equipment of nuclear power stations, water power stations and so on are in their service, deformations always happen to them. Especially, the breakage, the slide of edge danger rocks and basic displacement in the area of nuclear power station site can all interfere its regular operation, even endanger safety. But the traditional trigonometric net control can not obtain high precise deformation observation. So, topographic balanced vertical deviations are applied. The slope distance is divided rationally into horizontal and vertical components, then the precise vertical component is used to participate in restricting the deflection in order to enhance the observation post's precision. Meanwhile, the element model is selected, high precise monitoring net of three-dimensional deformation is set up, using astro-geodetic deflection of the vertical to correct the observation values. In this way, the earth error of height is given, the plane coordinate is defined by paralleling some plane of reference ellipsoid. This method may satisfy the deformation observation in the projects such as nuclear power stations or so. (8 figs., 5 tabs.)

  17. CubeAid - an interactive method of quickly analyzing 3-dimensional gamma-ray data sets

    Energy Technology Data Exchange (ETDEWEB)

    Kuehner, J A; Waddington, J C; Prevost, D [McMaster Univ., Hamilton, ON (Canada)

    1992-08-01

    With the advent of highly efficient gamma detector arrays capable of producing significant 4- and 5-fold data, a new challenge will be to develop appropriate data analysis techniques. One method may be to exploit the relatively fast analysis possible using three-dimensional (3D) analysis of sorted higher-fold data, as can be done using CubeAid software running on a personal computer (PC). This paper describes some of the capabilities of CubeAid. The main idea is to construct and use a 3D array (a cube) of triple data of dimensions suitable to the capability of a PC using VGA mode or higher. So far (as of the time of the conference), the authors had used a cube of edge size 640, and typically 2 or 3 keV per channel. In order to make data extraction fast, and to reduce disk space, a symmetrized 1/2 cube was used, the depth dimension having been compressed. In making this cube, sorting was first done into a symmetrized 1/6 cube from tape to a VAX hard disk. 2 figs.

  18. Diatom Valve Three-Dimensional Representation: A New Imaging Method Based on Combined Microscopies

    Science.gov (United States)

    Ferrara, Maria Antonietta; De Tommasi, Edoardo; Coppola, Giuseppe; De Stefano, Luca; Rea, Ilaria; Dardano, Principia

    2016-01-01

    The frustule of diatoms, unicellular microalgae, shows very interesting photonic features, generally related to its complicated and quasi-periodic micro- and nano-structure. In order to simulate light propagation inside and through this natural structure, it is important to develop three-dimensional (3D) models for synthetic replica with high spatial resolution. In this paper, we present a new method that generates images of microscopic diatoms with high definition, by merging scanning electron microscopy and digital holography microscopy or atomic force microscopy data. Starting from two digital images, both acquired separately with standard characterization procedures, a high spatial resolution (Δz = λ/20, Δx = Δy ≅ 100 nm, at least) 3D model of the object has been generated. Then, the two sets of data have been processed by matrix formalism, using an original mathematical algorithm implemented on a commercially available software. The developed methodology could be also of broad interest in the design and fabrication of micro-opto-electro-mechanical systems. PMID:27690008

  19. Fabrication of three-dimensional ordered nanodot array structures by a thermal dewetting method

    International Nuclear Information System (INIS)

    Li Zhenxing; Yoshino, Masahiko; Yamanaka, Akinori

    2012-01-01

    A new fabrication method for three-dimensional nanodot arrays with low cost and high throughput is developed in this paper. In this process, firstly a 2D nanodot array is fabricated by combination of top-down and bottom-up approaches. A nanoplastic forming technique is utilized as the top-down approach to fabricate a groove grid pattern on an Au layer deposited on a substrate, and self-organization by thermal dewetting is employed as the bottom-up approach. On the first-layer nanodot array, SiO 2 is deposited as a spacer layer. Au is then deposited on the spacer layer and thermal dewetting is conducted to fabricate a second-layer nanodot array. The effective parameters influencing dot formation on the second layer, including Au layer thickness and SiO 2 layer thickness, are studied. It is demonstrated that a 3D nanodot array of good vertical alignment is obtained by repeating the SiO 2 deposition, Au deposition and thermal dewetting. The mechanism of the dot agglomeration process is studied based on geometrical models. The effects of the spacer layer thickness and Au layer thickness on the morphology and alignment of the second-layer dots are discussed. (paper)

  20. The Albedo method for tri-dimensional calculations of fast reactors, with application to PEC

    International Nuclear Information System (INIS)

    Bianchini, G.; Loizzo, P.

    1983-01-01

    The Pec core simulator computer code, being now defined at Enea, is a relatively simple and inexpensive calculational model used by the reactor operator to derive the core life and the single subassemblies power and sodium flow. The diffusion module of this code will be based on the neutronic design code Citation. Here are outlined the theoretical foundations and the procedures to reduce the tri-dimensional diffusion computer time by the use of the following approximations: 1) the reactor zones far from the core are substituted by boundary conditions (albedo method); suitable flux logarithmic derivates are defined; 2) the fuel elements are represented by exagonal meshes; appropriate normalization factors are defined. With respect to the standard design procedures the computer cpu time is reduced from 90 minutes to 2 minutes (Ibm 4341/2). The errors amount to a few mk on the multiplication factor and to a few percent on the power distribution. The approximations (1) and (2) are equally important with respect to the time reduction

  1. New Multigrid Method Including Elimination Algolithm Based on High-Order Vector Finite Elements in Three Dimensional Magnetostatic Field Analysis

    Science.gov (United States)

    Hano, Mitsuo; Hotta, Masashi

    A new multigrid method based on high-order vector finite elements is proposed in this paper. Low level discretizations in this method are obtained by using low-order vector finite elements for the same mesh. Gauss-Seidel method is used as a smoother, and a linear equation of lowest level is solved by ICCG method. But it is often found that multigrid solutions do not converge into ICCG solutions. An elimination algolithm of constant term using a null space of the coefficient matrix is also described. In three dimensional magnetostatic field analysis, convergence time and number of iteration of this multigrid method are discussed with the convectional ICCG method.

  2. A transformed rational function method and exact solutions to the 3+1 dimensional Jimbo-Miwa equation

    International Nuclear Information System (INIS)

    Ma Wenxiu; Lee, J.-H.

    2009-01-01

    A direct approach to exact solutions of nonlinear partial differential equations is proposed, by using rational function transformations. The new method provides a more systematical and convenient handling of the solution process of nonlinear equations, unifying the tanh-function type methods, the homogeneous balance method, the exp-function method, the mapping method, and the F-expansion type methods. Its key point is to search for rational solutions to variable-coefficient ordinary differential equations transformed from given partial differential equations. As an application, the construction problem of exact solutions to the 3+1 dimensional Jimbo-Miwa equation is treated, together with a Baecklund transformation.

  3. Shroud leakage flow models and a multi-dimensional coupling CFD (computational fluid dynamics) method for shrouded turbines

    International Nuclear Information System (INIS)

    Zou, Zhengping; Liu, Jingyuan; Zhang, Weihao; Wang, Peng

    2016-01-01

    Multi-dimensional coupling simulation is an effective approach for evaluating the flow and aero-thermal performance of shrouded turbines, which can balance the simulation accuracy and computing cost effectively. In this paper, 1D leakage models are proposed based on classical jet theories and dynamics equations, which can be used to evaluate most of the main features of shroud leakage flow, including the mass flow rate, radial and circumferential momentum, temperature and the jet width. Then, the 1D models are expanded to 2D distributions on the interface by using a multi-dimensional scaling method. Based on the models and multi-dimensional scaling, a multi-dimensional coupling simulation method for shrouded turbines is developed, in which, some boundary source and sink are set on the interface between the shroud and the main flow passage. To verify the precision, some simulations on the design point and off design points of a 1.5 stage turbine are conducted. It is indicated that the models and methods can give predictions with sufficient accuracy for most of the flow field features and will contribute to pursue deeper understanding and better design methods of shrouded axial turbines, which are the important devices in energy engineering. - Highlights: • Free and wall attached jet theories are used to model the leakage flow in shrouds. • Leakage flow rate is modeled by virtual labyrinth number and residual-energy factor. • A scaling method is applied to 1D model to obtain 2D distributions on interfaces. • A multi-dimensional coupling CFD method for shrouded turbines is proposed. • The proposed coupling method can give accurate predictions with low computing cost.

  4. Probabilistic numerical methods for high-dimensional stochastic control and valuation problems on electricity markets

    International Nuclear Information System (INIS)

    Langrene, Nicolas

    2014-01-01

    This thesis deals with the numerical solution of general stochastic control problems, with notable applications for electricity markets. We first propose a structural model for the price of electricity, allowing for price spikes well above the marginal fuel price under strained market conditions. This model allows to price and partially hedge electricity derivatives, using fuel forwards as hedging instruments. Then, we propose an algorithm, which combines Monte-Carlo simulations with local basis regressions, to solve general optimal switching problems. A comprehensive rate of convergence of the method is provided. Moreover, we manage to make the algorithm parsimonious in memory (and hence suitable for high dimensional problems) by generalizing to this framework a memory reduction method that avoids the storage of the sample paths. We illustrate this on the problem of investments in new power plants (our structural power price model allowing the new plants to impact the price of electricity). Finally, we study more general stochastic control problems (the control can be continuous and impact the drift and volatility of the state process), the solutions of which belong to the class of fully nonlinear Hamilton-Jacobi-Bellman equations, and can be handled via constrained Backward Stochastic Differential Equations, for which we develop a backward algorithm based on control randomization and parametric optimizations. A rate of convergence between the constraPned BSDE and its discrete version is provided, as well as an estimate of the optimal control. This algorithm is then applied to the problem of super replication of options under uncertain volatilities (and correlations). (author)

  5. Principles of the Kenzan Method for Robotic Cell Spheroid-Based Three-Dimensional Bioprinting.

    Science.gov (United States)

    Moldovan, Nicanor I; Hibino, Narutoshi; Nakayama, Koichi

    2017-06-01

    Bioprinting is a technology with the prospect to change the way many diseases are treated, by replacing the damaged tissues with live de novo created biosimilar constructs. However, after more than a decade of incubation and many proofs of concept, the field is still in its infancy. The current stagnation is the consequence of its early success: the first bioprinters, and most of those that followed, were modified versions of the three-dimensional printers used in additive manufacturing, redesigned for layer-by-layer dispersion of biomaterials. In all variants (inkjet, microextrusion, or laser assisted), this approach is material ("scaffold") dependent and energy intensive, making it hardly compatible with some of the intended biological applications. Instead, the future of bioprinting may benefit from the use of gentler scaffold-free bioassembling methods. A substantial body of evidence has accumulated, indicating this is possible by use of preformed cell spheroids, which have been assembled in cartilage, bone, and cardiac muscle-like constructs. However, a commercial instrument capable to directly and precisely "print" spheroids has not been available until the invention of the microneedles-based ("Kenzan") spheroid assembling and the launching in Japan of a bioprinter based on this method. This robotic platform laces spheroids into predesigned contiguous structures with micron-level precision, using stainless steel microneedles ("kenzans") as temporary support. These constructs are further cultivated until the spheroids fuse into cellular aggregates and synthesize their own extracellular matrix, thus attaining the needed structural organization and robustness. This novel technology opens wide opportunities for bioengineering of tissues and organs.

  6. Determination of antimicrobial resistance of Enterococcus strains isolated from pigs and their genotypic characterization by method of amplification of DNA fragments surrounding rare restriction sites (ADSRRS fingerprinting).

    Science.gov (United States)

    Nowakiewicz, Aneta; Ziółkowska, Grażyna; Trościańczyk, Aleksandra; Zięba, Przemysław; Gnat, Sebastian

    2017-03-01

    In this study, we analysed phenotypic resistance profiles and their reflection in the genomic profiles of Enterococcus spp. strains isolated from pigs raised on different farms. Samples were collected from five pig farms (n=90 animals) and tested for Enterococcus. MICs of 12 antimicrobials were determined using the broth microdilution method, and epidemiological molecular analysis of strains belonging to selected species (faecalis, faecium and hirae) was performed using the ADSRRS-fingerprinting (amplification of DNA fragments surrounding rare restriction sites) method with a few modifications. The highest percentage of strains was resistant to tetracycline (73.4 %), erythromycin and tylosin (42.5 %) and rifampin (25.2 %), and a large number of strains exhibited high-level resistance to both kanamycin (25.2 %) and streptomycin (27.6 %). The strains of E. faecalis, E. faecium and E. hirae (n=184) revealed varied phenotypic resistance profiles, among which as many as seven met the criteria for multidrug resistance (30.4 % of strains tested). ADSRRS-fingerprinting analysis produced 17 genotypic profiles of individual strains which were correlated with their phenotypic resistance profiles. Only E. hirae strains susceptible to all of the chemotherapeutics tested had two different ADSRRS profiles. Moreover, eight animals were carriers of more than one genotype belonging to the same Enterococcus spp., mainly E. faecalis. Given the possibility of transmission to humans of the high-resistance/multidrug resistance enterococci and the significant role of pigs as food animals in this process, it is necessary to introduce a multilevel control strategy by carrying out research on the resistance and molecular characteristics of indicator bacterial strains isolated from animals on individual farms.

  7. Universality of fragment shapes.

    Science.gov (United States)

    Domokos, Gábor; Kun, Ferenc; Sipos, András Árpád; Szabó, Tímea

    2015-03-16

    The shape of fragments generated by the breakup of solids is central to a wide variety of problems ranging from the geomorphic evolution of boulders to the accumulation of space debris orbiting Earth. Although the statistics of the mass of fragments has been found to show a universal scaling behavior, the comprehensive characterization of fragment shapes still remained a fundamental challenge. We performed a thorough experimental study of the problem fragmenting various types of materials by slowly proceeding weathering and by rapid breakup due to explosion and hammering. We demonstrate that the shape of fragments obeys an astonishing universality having the same generic evolution with the fragment size irrespective of materials details and loading conditions. There exists a cutoff size below which fragments have an isotropic shape, however, as the size increases an exponential convergence is obtained to a unique elongated form. We show that a discrete stochastic model of fragmentation reproduces both the size and shape of fragments tuning only a single parameter which strengthens the general validity of the scaling laws. The dependence of the probability of the crack plan orientation on the linear extension of fragments proved to be essential for the shape selection mechanism.

  8. Three-dimensional assemblies of graphene prepared by a novel chemical reduction-induced self-assembly method

    KAUST Repository

    Zhang, Lianbin; Chen, Guoying; Hedhili, Mohamed N.; Zhang, Hongnan; Wang, Peng

    2012-01-01

    In this study, three-dimensional (3D) graphene assemblies are prepared from graphene oxide (GO) by a facile in situ reduction-assembly method, using a novel, low-cost, and environment-friendly reducing medium which is a combination of oxalic acid

  9. A new method for information retrieval in two-dimensional grating-based X-ray phase contrast imaging

    International Nuclear Information System (INIS)

    Wang Zhi-Li; Gao Kun; Chen Jian; Ge Xin; Tian Yang-Chao; Wu Zi-Yu; Zhu Pei-Ping

    2012-01-01

    Grating-based X-ray phase contrast imaging has been demonstrated to be an extremely powerful phase-sensitive imaging technique. By using two-dimensional (2D) gratings, the observable contrast is extended to two refraction directions. Recently, we have developed a novel reverse-projection (RP) method, which is capable of retrieving the object information efficiently with one-dimensional (1D) grating-based phase contrast imaging. In this contribution, we present its extension to the 2D grating-based X-ray phase contrast imaging, named the two-dimensional reverse-projection (2D-RP) method, for information retrieval. The method takes into account the nonlinear contributions of two refraction directions and allows the retrieval of the absorption, the horizontal and the vertical refraction images. The obtained information can be used for the reconstruction of the three-dimensional phase gradient field, and for an improved phase map retrieval and reconstruction. Numerical experiments are carried out, and the results confirm the validity of the 2D-RP method

  10. A HIGH ORDER SOLUTION OF THREE DIMENSIONAL TIME DEPENDENT NONLINEAR CONVECTIVE-DIFFUSIVE PROBLEM USING MODIFIED VARIATIONAL ITERATION METHOD

    Directory of Open Access Journals (Sweden)

    Pratibha Joshi

    2014-12-01

    Full Text Available In this paper, we have achieved high order solution of a three dimensional nonlinear diffusive-convective problem using modified variational iteration method. The efficiency of this approach has been shown by solving two examples. All computational work has been performed in MATHEMATICA.

  11. Numerical Simulation of the Dynamical Conductivity of One-Dimensional Disordered Systems by MacKinnon’s Method

    Science.gov (United States)

    Saso, Tetsuro; Kim, C. I.; Kasuya, Tadao

    1983-06-01

    Report is given on a computer simulation of the dynamical conductivity σ(ω) of one-dimensional disordered systems with up to 106 sites by MacKinnon’s method. A comparison is made with the asymptotically exact solution valid for weak disorder by Berezinskii.

  12. Research of nuclear fragmentation characteristics

    International Nuclear Information System (INIS)

    Richert, J.

    1989-01-01

    Motivations for the study of nuclear fragmentation are presented. Different models and methods which were developed in the past are reviewed, critically discussed and confronted in connection with the experimental information gathered over the past years. Specific aspects related to the onset of the process, its characteristics and the mechanism which governs it are discussed [fr

  13. System and method for three-dimensional image reconstruction using an absolute orientation sensor

    KAUST Repository

    Giancola, Silvio; Ghanem, Bernard; Schneider, Jens; Wonka, Peter

    2018-01-01

    A three-dimensional image reconstruction system includes an image capture device, an inertial measurement unit (IMU), and an image processor. The image capture device captures image data. The inertial measurement unit (IMU) is affixed to the image

  14. Neutron radiography imaging with 2-dimensional photon counting method and its problems

    International Nuclear Information System (INIS)

    Ikeda, Y.; Kobayashi, H.; Niwa, T.; Kataoka, T.

    1988-01-01

    A ultra sensitive neutron imaging system has been deviced with a 2-dimensional photon counting camara (ARGUS 100). The imaging system is composed by a 2-dimensional single photon counting tube and a low background vidicon followed with an image processing unit and frame memories. By using the imaging system, electronic neutron radiography (NTV) has been possible under the neutron flux less than 3 x 10 4 n/cm 2 ·s. (author)

  15. Knowledge-based Fragment Binding Prediction

    Science.gov (United States)

    Tang, Grace W.; Altman, Russ B.

    2014-01-01

    Target-based drug discovery must assess many drug-like compounds for potential activity. Focusing on low-molecular-weight compounds (fragments) can dramatically reduce the chemical search space. However, approaches for determining protein-fragment interactions have limitations. Experimental assays are time-consuming, expensive, and not always applicable. At the same time, computational approaches using physics-based methods have limited accuracy. With increasing high-resolution structural data for protein-ligand complexes, there is now an opportunity for data-driven approaches to fragment binding prediction. We present FragFEATURE, a machine learning approach to predict small molecule fragments preferred by a target protein structure. We first create a knowledge base of protein structural environments annotated with the small molecule substructures they bind. These substructures have low-molecular weight and serve as a proxy for fragments. FragFEATURE then compares the structural environments within a target protein to those in the knowledge base to retrieve statistically preferred fragments. It merges information across diverse ligands with shared substructures to generate predictions. Our results demonstrate FragFEATURE's ability to rediscover fragments corresponding to the ligand bound with 74% precision and 82% recall on average. For many protein targets, it identifies high scoring fragments that are substructures of known inhibitors. FragFEATURE thus predicts fragments that can serve as inputs to fragment-based drug design or serve as refinement criteria for creating target-specific compound libraries for experimental or computational screening. PMID:24762971

  16. Exact Solutions of Fragmentation Equations with General Fragmentation Rates and Separable Particles Distribution Kernels

    Directory of Open Access Journals (Sweden)

    S. C. Oukouomi Noutchie

    2014-01-01

    Full Text Available We make use of Laplace transform techniques and the method of characteristics to solve fragmentation equations explicitly. Our result is a breakthrough in the analysis of pure fragmentation equations as this is the first instance where an exact solution is provided for the fragmentation evolution equation with general fragmentation rates. This paper is the key for resolving most of the open problems in fragmentation theory including “shattering” and the sudden appearance of infinitely many particles in some systems with initial finite particles number.

  17. Tuned and Balanced Redistributed Charge Scheme for Combined Quantum Mechanical and Molecular Mechanical (QM/MM) Methods and Fragment Methods: Tuning Based on the CM5 Charge Model.

    Science.gov (United States)

    Wang, Bo; Truhlar, Donald G

    2013-02-12

    Tuned and balanced redistributed charge schemes have been developed for modeling the electrostatic fields of bonds that are cut by a quantum mechanical-molecular mechanical boundary in combined quantum mechanical and molecular mechanical (QM/MM) methods. First, the charge is balanced by adjusting the charge on the MM boundary atom to conserve the total charge of the entire QM/MM system. In the balanced smeared redistributed charge (BSRC) scheme, the adjusted MM boundary charge is smeared with a smearing width of 1.0 Å and is distributed in equal portions to the midpoints of the bonds between the MM boundary atom and the MM atoms bonded to it; in the balanced redistributed charge-2 (BRC2) scheme, the adjusted MM boundary charge is distributed as point charges in equal portions to the MM atoms that are bonded to the MM boundary atom. The QM subsystem is capped by a fluorine atom that is tuned to reproduce the sum of partial atomic charges of the uncapped portion of the QM subsystem. The new aspect of the present study is a new way to carry out the tuning process; in particular, the CM5 charge model, rather than the Mulliken population analysis applied in previous studies, is used for tuning the capping atom that terminates the dangling bond of the QM region. The mean unsigned error (MUE) of the QM/MM deprotonation energy for a 15-system test suite of deprotonation reactions is 2.3 kcal/mol for the tuned BSRC scheme (TBSRC) and 2.4 kcal/mol for the tuned BRC2 scheme (TBRC2). As was the case for the original tuning method based on Mulliken charges, the new tuning method performs much better than using conventional hydrogen link atoms, which have an MUE on this test set of about 7 kcal/mol. However, the new scheme eliminates the need to use small basis sets, which can be problematic, and it allows one to be more consistent by tuning the parameters with whatever basis set is appropriate for applications. (Alternatively, since the tuning parameters and partial charges

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

    International Nuclear Information System (INIS)

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

    1983-09-01

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

  19. Anomalous nuclear fragments

    International Nuclear Information System (INIS)

    Karmanov, V.A.

    1983-01-01

    Experimental data are given, the status of anomalon problem is discussed, theoretical approaches to this problem are outlined. Anomalons are exotic objects formed following fragmentation of nuclei-targets under the effect of nuclei - a beam at the energy of several GeV/nucleon. These nuclear fragments have an anomalously large cross section of interaction and respectively, small free path, considerably shorter than primary nuclei have. The experimental daa are obtained in accelerators following irradiation of nuclear emulsions by 16 O, 56 Fe, 40 Ar beams, as well as propane by 12 C beams. The experimental data testify to dependence of fragment free path on the distance L from the point of the fragment formation. A decrease in the fragment free path is established more reliably than its dependence on L. The problem of the anomalon existence cannot be yet considered resolved. Theoretical models suggested for explanation of anomalously large cross sections of nuclear fragment interaction are variable and rather speculative

  20. Numerical solution to a multi-dimensional linear inverse heat conduction problem by a splitting-based conjugate gradient method

    International Nuclear Information System (INIS)

    Dinh Nho Hao; Nguyen Trung Thanh; Sahli, Hichem

    2008-01-01

    In this paper we consider a multi-dimensional inverse heat conduction problem with time-dependent coefficients in a box, which is well-known to be severely ill-posed, by a variational method. The gradient of the functional to be minimized is obtained by aids of an adjoint problem and the conjugate gradient method with a stopping rule is then applied to this ill-posed optimization problem. To enhance the stability and the accuracy of the numerical solution to the problem we apply this scheme to the discretized inverse problem rather than to the continuous one. The difficulties with large dimensions of discretized problems are overcome by a splitting method which only requires the solution of easy-to-solve one-dimensional problems. The numerical results provided by our method are very good and the techniques seem to be very promising.