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Sample records for analysis normal-mode

  1. Normal mode analysis and applications in biological physics

    Energy Technology Data Exchange (ETDEWEB)

    Dykeman, Eric C; Sankey, Otto F [Department of Physics, Center for Biological Physics, Arizona State University, Tempe, AZ 85287-1504 (United States)

    2010-10-27

    Normal mode analysis has become a popular and often used theoretical tool in the study of functional motions in enzymes, viruses, and large protein assemblies. The use of normal modes in the study of these motions is often extremely fruitful since many of the functional motions of large proteins can be described using just a few normal modes which are intimately related to the overall structure of the protein. In this review, we present a broad overview of several popular methods used in the study of normal modes in biological physics including continuum elastic theory, the elastic network model, and a new all-atom method, recently developed, which is capable of computing a subset of the low frequency vibrational modes exactly. After a review of the various methods, we present several examples of applications of normal modes in the study of functional motions, with an emphasis on viral capsids. (topical review)

  2. Normal mode analysis of pair plasma with drifting species

    International Nuclear Information System (INIS)

    Pair-ion plasmas consisting of C60+ and C60- ions have been generated in laboratory using fullerene as an ion source1,2. In addition, electron-positron plasmas are believed to be abundant in many astrophysical environments from pulsars to quasars3,4. In laboratory also, electron-positron pair plasma has been generated with the help of ultraintense lasers5 and by trapping of positron in a magnetic mirror configuration by electron cyclotron resonance heating6. Since plasmas are nonlinear and dispersive media, it would be very much interesting to examine whether such pair-plasmas support the excitation of solitary waves and solitons. This has motivated us to do analytical calculations for studying the modes of solitary wave propagation. One-dimensional two-fluid plasma having streaming positrons and electrons is studied through normal mode analysis. We analyze how many types of modes propagate in these plasmas and also compare our results with previously explored models by other researchers. We obtained the dispersion relation and solved for the phase velocity of the acoustic modes. Although the dispersion relation predicts four types of the modes, only two types of the modes (namely fast and slow mode) are possible in the present plasma model. We find all the roots to be real. Therefore, it may be inferred that the instability may be possible in the present plasma model. (basic plasma physics, plasma theory and modeling (bp))

  3. Charge transfer mobility of naphthodithiophenediimide derivative: Normal-mode and bond length relaxation analysis

    Science.gov (United States)

    Liu, Xiaoyan; Liu, Yujuan; Zheng, Yujun

    2016-02-01

    In this letter, the charge transfer mobility of naphthalenediimide (NDTI) derivative is investigated. By employing the normal-mode analysis and bond length relaxation analysis, the influences of chemical elements on reorganization energies and intermolecular electronic couplings are investigated in NDTI derivative. The results show that the introduction of atom O would decrease reorganization energy in hole-hopping process and increase electronic coupling. This analysis encourages the molecular and material design in organic semiconductors.

  4. Normal Mode Analysis with Molecular Geometry Restraints: Bridging Molecular Mechanics and Elastic Models

    OpenAIRE

    Lu, Mingyang; Ma, Jianpeng

    2011-01-01

    A new method for normal mode analysis is reported for all-atom structures using molecular geometry restraints (MGR). Similar to common molecular mechanics force fields, the MGR potential contains short- and long-range terms. The short-range terms are defined by molecular geometry, i.e. bond lengths, angles and dihedrals; the long-range term is similar to that in elastic network models. Each interaction term uses a single force constant parameter, and is determined by fitting against a set of ...

  5. Analysis of vibrating structures with localized nonlinearities using nonlinear normal modes

    International Nuclear Information System (INIS)

    This work is a collaboration between EDF R and D and the Laboratory of Mechanics and Acoustics. The objective is to develop theoretical and numerical tools to compute nonlinear normal modes (NNMs) of structures with localized nonlinearities. We use an approach combining the harmonic balance and the asymptotic numerical methods, known for its robustness principally for smooth systems. Regularization techniques are used to apply this approach for the study of non-smooth problems. Moreover, several aspects of the method are improved to allow the computation of NNMs for systems with a high number of degrees of freedom (DOF). Finally, the method is implemented in Code-Aster, an open-source finite element solver developed by EDF R and D. The nonlinear normal modes of a two degrees-of-freedom system are studied and some original characteristics are observed. These observations are then used to develop a methodology for the study of systems with a high number of DOFs. The developed method is finally used to compute the NNMs for a model U-tube of a nuclear plant steam generator. The analysis of the NNMs reveals the presence of an interaction between an out-of-plane (low frequency) and an in-plane (high frequency) modes, a result also confirmed by the experiment. This modal interaction is not possible using linear modal analysis and confirms the interest of NNMs as a diagnostic tool in structural dynamics. (author)

  6. Normal-mode-analysis-monitored energy minimization procedure for generating small-molecule bound conformations.

    Directory of Open Access Journals (Sweden)

    Qi Wang

    Full Text Available The energy minimization of a small molecule alone does not automatically stop at a local minimum of the potential energy surface of the molecule if the minimum is shallow, thus leading to folding of the molecule and consequently hampering the generation of the bound conformation of a guest in the absence of its host. This questions the practicality of virtual screening methods that use conformations at local minima of their potential energy surfaces (local minimum conformations as potential bound conformations. Here we report a normal-mode-analysis-monitored energy minimization (NEM procedure that generates local minimum conformations as potential bound conformations. Of 22 selected guest-host complex crystal structures with guest structures possessing up to four rotatable bonds, all complexes were reproduced, with guest mass-weighted root mean square deviations of <1.0 A, through docking with the NEM-generated guest local minimum conformations. An analysis of the potential energies of these local minimum conformations showed that 22 (100%, 18 (82%, 16 (73%, and 12 (55% of the 22 guest bound conformations in the crystal structures had conformational strain energies of less than or equal to 3.8, 2.0, 0.6, and 0.0 kcal/mol, respectively. These results suggest that (1 the NEM procedure can generate small-molecule bound conformations, and (2 guests adopt low-strain-energy conformations for complexation, thus supporting the virtual screening methods that use local minimum conformations.

  7. Theory and Normal Mode Analysis of Change in Protein Vibrational Dynamics on Ligand Binding

    Energy Technology Data Exchange (ETDEWEB)

    Mortisugu, Kei [RIKEN, Japan; Njunda, Brigitte [Computational Molecular Biophysics, Interdisciplinary Center for Scientific Computing (IWR); Smith, Jeremy C [ORNL

    2009-12-01

    The change of protein vibrations on ligand binding is of functional and thermodynamic importance. Here, this process is characterized using a simple analytical 'ball-and-spring' model and all-atom normal-mode analysis (NMA) of the binding of the cancer drug, methotrexate (MTX) to its target, dihydrofolate reductase (DHFR). The analytical model predicts that the coupling between protein vibrations and ligand external motion generates entropy-rich, low-frequency vibrations in the complex. This is consistent with the atomistic NMA which reveals vibrational softening in forming the DHFR-MTX complex, a result also in qualitative agreement with neutron-scattering experiments. Energy minimization of the atomistic bound-state (B) structure while gradually decreasing the ligand interaction to zero allows the generation of a hypothetical 'intermediate' (I) state, without the ligand force field but with a structure similar to that of B. In going from I to B, it is found that the vibrational entropies of both the protein and MTX decrease while the complex structure becomes enthalpically stabilized. However, the relatively weak DHFR:MTX interaction energy results in the net entropy gain arising from coupling between the protein and MTX external motion being larger than the loss of vibrational entropy on complex formation. This, together with the I structure being more flexible than the unbound structure, results in the observed vibrational softening on ligand binding.

  8. Normal mode analysis of macromolecular systems with the mobile block Hessian method

    Energy Technology Data Exchange (ETDEWEB)

    Ghysels, An; Van Speybroeck, Veronique; Van Neck, Dimitri; Waroquier, Michel [Center for Molecular Modeling, Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium); Brooks, Bernard R. [Laboratory for Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, 5636 Fisher' s Ln, Rockville, MD 20851 (United States)

    2015-01-22

    Until recently, normal mode analysis (NMA) was limited to small proteins, not only because the required energy minimization is a computationally exhausting task, but also because NMA requires the expensive diagonalization of a 3N{sub a}×3N{sub a} matrix with N{sub a} the number of atoms. A series of simplified models has been proposed, in particular the Rotation-Translation Blocks (RTB) method by Tama et al. for the simulation of proteins. It makes use of the concept that a peptide chain or protein can be seen as a subsequent set of rigid components, i.e. the peptide units. A peptide chain is thus divided into rigid blocks with six degrees of freedom each. Recently we developed the Mobile Block Hessian (MBH) method, which in a sense has similar features as the RTB method. The main difference is that MBH was developed to deal with partially optimized systems. The position/orientation of each block is optimized while the internal geometry is kept fixed at a plausible - but not necessarily optimized - geometry. This reduces the computational cost of the energy minimization. Applying the standard NMA on a partially optimized structure however results in spurious imaginary frequencies and unwanted coordinate dependence. The MBH avoids these unphysical effects by taking into account energy gradient corrections. Moreover the number of variables is reduced, which facilitates the diagonalization of the Hessian. In the original implementation of MBH, atoms could only be part of one rigid block. The MBH is now extended to the case where atoms can be part of two or more blocks. Two basic linkages can be realized: (1) blocks connected by one link atom, or (2) by two link atoms, where the latter is referred to as the hinge type connection. In this work we present the MBH concept and illustrate its performance with the crambin protein as an example.

  9. Twist–radial normal mode analysis in double-stranded DNA chains

    International Nuclear Information System (INIS)

    We study the normal modes of a duplex DNA chain at low temperatures. We consider the coupling between the hydrogen-bond radial oscillations and the twisting motion of each base pair within the Peyrard–Bishop–Dauxois model. The coupling is mediated by the stacking interaction between adjacent base pairs along the helix. We explicitly consider different mass values for different nucleotides, extending previous works. We disclose several resonance conditions of interest, determined by the fine-tuning of certain model parameters. The role of these dynamical effects on the DNA chain charge transport properties is discussed.

  10. Twist-radial normal mode analysis in double-stranded DNA chains

    Science.gov (United States)

    Torrellas, Germán; Maciá, Enrique

    2012-10-01

    We study the normal modes of a duplex DNA chain at low temperatures. We consider the coupling between the hydrogen-bond radial oscillations and the twisting motion of each base pair within the Peyrard-Bishop-Dauxois model. The coupling is mediated by the stacking interaction between adjacent base pairs along the helix. We explicitly consider different mass values for different nucleotides, extending previous works. We disclose several resonance conditions of interest, determined by the fine-tuning of certain model parameters. The role of these dynamical effects on the DNA chain charge transport properties is discussed.

  11. The dynamical transition in proteins and non-Gaussian behavior of low frequency modes in Self Consistent Normal Mode Analysis

    CERN Document Server

    Guo, Jianguang; Ward, Joshua M; Prohofsky, Earl W

    2010-01-01

    Self Consistent Normal Mode Analysis (SCNMA) is applied to heme c type cytochrome f to study temperature dependent protein motion. Classical Normal Mode Analysis (NMA) assumes harmonic behavior and the protein Mean Square Displacement (MSD) has a linear dependence on temperature. This is only consistent with low temperature experimental results. To connect the protein vibrational motions between low temperature and physiological temperature, we have incorporated a fitted set of anharmonic potentials into SCNMA. In addition, Quantum Harmonic Oscillator (QHO) theory has been used to calculate the displacement distribution for individual vibrational modes. We find that the modes involving soft bonds exhibit significant non-Gaussian dynamics at physiological temperature, which suggests it may be the cause of the non-Gaussian behavior of the protein motions probed by Elastic Incoherent Neutron Scattering (EINS). The combined theory displays a dynamical transition caused by the softening of few "torsional" modes in...

  12. Dynamical analysis of tRNA Gln-GlnRS complex using normal mode calculation

    Science.gov (United States)

    Nakamura, Shugo; Ikeguchi, Mitsunori; Shimizu, Kentaro

    2003-04-01

    We applied normal mode calculation in internal coordinates to a complex of glutamine transfer RNA (tRNA Gln) and glutaminyl-tRNA synthetase (GlnRS). Calculated deviations of atoms agreed well with those obtained from X-ray data. The differences of motions corresponding to low mode frequencies between the free state and the complex state were analyzed. For GlnRS, many motions in the free state were conserved in the complex state, while the dynamics of tRNA Gln was largely affected by the complex formation. Superimposed images of the conserved and non-conserved motions of tRNA Gln clearly indicated the restricted direction of motions in the complex.

  13. On the sensitivity of protein data bank normal mode analysis: an application to GH10 xylanases

    Science.gov (United States)

    Tirion, Monique M.

    2015-12-01

    Protein data bank entries obtain distinct, reproducible flexibility characteristics determined by normal mode analyses of their three dimensional coordinate files. We study the effectiveness and sensitivity of this technique by analyzing the results on one class of glycosidases: family 10 xylanases. A conserved tryptophan that appears to affect access to the active site can be in one of two conformations according to x-ray crystallographic electron density data. The two alternate orientations of this active site tryptophan lead to distinct flexibility spectra, with one orientation thwarting the oscillations seen in the other. The particular orientation of this sidechain furthermore affects the appearance of the motility of a distant, C terminal region we term the mallet. The mallet region is known to separate members of this family of enzymes into two classes.

  14. A NEW MOMENT METHOD FOR THE FAST AND ACCURATE ANALYSIS OF NORMAL MODE HELICAL ANTENNAS

    Institute of Scientific and Technical Information of China (English)

    Ji Yicai; Sun Baohua; Liu Qizhong

    2001-01-01

    In this letter, a new moment method using helical segments is presented to model Normal Mode Helical Antenna (NMHA). Using this method, the NMHA can be modeled by a few segments. The current distributions and radiation patterns of some NMHAs are calculated.A comparison is made between results obtained using this helical segment algorithm and a linear segment algorithm, and the results of the two algorithms agree fairly well. When calculating the impedance matrix [Z], all the elements of the matrix can be obtained by only calculating a few elements with the application of the symmetric and periodic characteristics of the NMHA.Therefore, the CPU time and the memory storage are significantly reduced, with the accuracy and speed enhanced.

  15. Model-free methods of analyzing domain motions in proteins from simulation : A comparison of normal mode analysis and molecular dynamics simulation of lysozyme

    NARCIS (Netherlands)

    Hayward, S; Kitao, A; Berendsen, HJC

    1997-01-01

    Model-free methods are introduced to determine quantities pertaining to protein domain motions from normal mode analyses and molecular dynamics simulations, For the normal mode analysis, the methods are based on the assumption that in low frequency modes, domain motions can be well approximated by m

  16. Significance of a two-domain structure in subunits of phycobiliproteins revealed by the normal mode analysis.

    Science.gov (United States)

    Kikuchi, H; Wako, H; Yura, K; Go, M; Mimuro, M

    2000-09-01

    Phycobiliproteins are basic building blocks of phycobilisomes, a supra-molecular assembly for the light-capturing function of photosynthesis in cyanobacteria and red algae. One functional form of phycobiliproteins is a trimeric form consisting of three identical units having C(3) symmetry, with each unit composed of two kinds of subunits, the alpha-subunit and beta-subunit. These subunits have similar chain folds and can be divided into either globin-like or X-Y helices domains. We studied the significance of this two-domain structure for their assembled structures and biological function (light-absorption) using a normal mode analysis to investigate dynamic aspects of their three-dimensional structures. We used C-phycocyanin (C-PC) as an example, and focused on the interactions between the two domains. The normal mode analysis was carried out for the following two cases: 1) the whole subunit, including the two domains; and 2) the globin-like domain alone. By comparing the dynamic properties, such as correlative movements between residues and the fluctuations of individual residues, we found that the X-Y helices domain plays an important role not only in the C(3) symmetry assemblies of the subunits in phycobiliproteins, but also in stabilizing the light absorption property by suppressing the fluctuation of the specific Asp residues near the chromophore. Interestingly, the conformation of the X-Y helices domain corresponds to that of a module in pyruvate phosphate dikinase (PPDK). The module in PPDK is involved in the interactions of two domains, just as the X-Y helices domain is involved in the interactions of two subunits. Finally, we discuss the mechanical construction of the C-PC subunits based on the normal mode analysis.

  17. Computer simulation of ionic conduction in ZrF4-BaF2 glass: II. Normal-mode analysis

    International Nuclear Information System (INIS)

    Ionic conduction in ZrF4-BaF2 glass is investigated using normal-mode analysis (NMA). The origin of two distinct timescales observed in an earlier nuclear magnetic resonance (NMR) study (Y Kawamoto and J Fujiwara 1990 Phys. Chem. Glasses 31 117) is considered. First, it is shown that the present NMA gives a result that is satisfactorily consistent with molecular dynamics (MD) simulations. This indicates that the NMA method could be successfully applied to the present topic, as well as providing added support to the MD result. The two methods give a consistent explanation for the origin of the NMR observation; the fact that there are two timescales is attributable to the difference in mobility between two classes of fluoride ions, i.e., bridging fluoride (BF) and non-bridging fluoride (NBF). The present NMA also provides information additional to that from the MD results. The difference in mobility between BF and NBF becomes significant only below the glass transition temperature Tg. Further analysis has been made to characterize the conduction mechanism more clearly, by the use of normal-mode excitations. The main finding is that an activation process becomes important for BF conduction below Tg, whereas no such process is observed for NBF. (author)

  18. All-atom normal-mode analysis reveals an RNA-induced allostery in a bacteriophage coat protein

    Science.gov (United States)

    Dykeman, Eric C.; Twarock, Reidun

    2010-03-01

    Assembly of the T=3 bacteriophage MS2 is initiated by the binding of a 19 nucleotide RNA stem loop from within the phage genome to a symmetric coat protein dimer. This binding event effects a folding of the FG loop in one of the protein subunits of the dimer and results in the formation of an asymmetric dimer. Since both the symmetric and asymmetric forms of the dimer are needed for the assembly of the protein container, this allosteric switch plays an important role in the life cycle of the phage. We provide here details of an all-atom normal-mode analysis of this allosteric effect. The results suggest that asymmetric contacts between the A -duplex RNA phosphodiester backbone of the stem loop with the EF loop in one coat protein subunit results in an increased dynamic behavior of its FG loop. The four lowest-frequency modes, which encompass motions predominantly on the FG loops, account for over 90% of the increased dynamic behavior due to a localization of the vibrational pattern on a single FG loop. Finally, we show that an analysis of the allosteric effect using an elastic network model fails to predict this localization effect, highlighting the importance of using an all-atom full force field method for this problem.

  19. Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C-H Region of DMSO as a Case Study

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Sean A.; Ueltschi, Tyler W.; El-Khoury, Patrick Z.; Mifflin, Amanda L.; Hess, Wayne P.; Wang, Hongfei; Cramer, Christopher J.; Govind, Niranjan

    2016-03-03

    Carbon-hydrogen (C-H) vibration modes serve as key probes in the chemical iden- tication of hydrocarbons and in vibrational sum-frequency generation (SFG) spec- *troscopy of hydrocarbons at the liquid/gas interface. Their assignments pose a chal- lenge from a theoretical viewpoint. In this work, we present a detailed study of the C-H stretching region of dimethyl sulfoxide (DMSO) using a new Gaussian basis set- based ab initio molecular dynamics (AIMD) module that we have implemented in the NWChem computational chemistry program. By combining AIMD simulations and static normal mode analysis, we interpret experimental infrared and Raman spectra and explore the role of anharmonic effects in this system. Our anharmonic normal mode analysis of the in-phase and out-of-phase symmetric C-H stretching modes chal- lenges the previous experimental assignment of the shoulder in the symmetric C-H stretching peak as an overtone or Fermi resonance. In addition, our AIMD simulations also show signicant broadening of the in-phase symmetric C-H stretching resonance, which suggests that the experimentally observed shoulder is due to thermal broadening of the symmetric stretching resonance.

  20. Molecular structure, natural bond analysis, vibrational and electronic spectra, surface enhanced Raman scattering and Mulliken atomic charges of the normal modes of [Mn(DDTC)2] complex.

    Science.gov (United States)

    Téllez S, Claudio A; Costa, Anilton C; Mondragón, M A; Ferreira, Glaucio B; Versiane, O; Rangel, J L; Lima, G Müller; Martin, A A

    2016-12-01

    Theoretical and experimental bands have been assigned for the Fourier Transform Infrared and Raman spectra of the bis(diethyldithiocarbamate)Mn(II) complex, [Mn(DDTC)2]. The calculations have been based on the DFT/B3LYP method, second derivative spectra and band deconvolution analysis. The UV-vis experimental spectra were measured in acetonitrile solution, and the calculated electronic spectrum was obtained using the TD/B3LYP method with 6-311G(d, p) basis set for all atoms. Charge transfer bands and those d-d spin forbidden were assigned in the UV-vis spectrum. The natural bond orbital analysis was carried out using the DFT/B3LYP method and the Mn(II) hybridization leading to the planar geometry of the framework was discussed. Surface enhanced Raman scattering (SERS) was also performed. Mulliken charges of the normal modes were obtained and related to the SERS enhanced bands. PMID:27344520

  1. Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique

    Energy Technology Data Exchange (ETDEWEB)

    Fry-Petit, A. M., E-mail: mcqueen@jhu.edu, E-mail: afry@fullerton.edu; Sheckelton, J. P.; McQueen, T. M., E-mail: mcqueen@jhu.edu, E-mail: afry@fullerton.edu [Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218 (United States); Institute for Quantum Matter and Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, Maryland 21218 (United States); Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Rebola, A. F.; Fennie, C. J. [Department of Applied Physics, Cornell University, Ithaca, New York 14853 (United States); Mourigal, M.; Valentine, M.; Drichko, N. [Institute for Quantum Matter and Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, Maryland 21218 (United States)

    2015-09-28

    For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn{sub 2}Mo{sub 3}O{sub 8}, this approach allows direct assignment of the constrained rotational mode of Mo{sub 3}O{sub 13} clusters and internal modes of MoO{sub 6} polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems.

  2. Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique

    International Nuclear Information System (INIS)

    For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn2Mo3O8, this approach allows direct assignment of the constrained rotational mode of Mo3O13 clusters and internal modes of MoO6 polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems

  3. Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique.

    Science.gov (United States)

    Fry-Petit, A M; Rebola, A F; Mourigal, M; Valentine, M; Drichko, N; Sheckelton, J P; Fennie, C J; McQueen, T M

    2015-09-28

    For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn2Mo3O8, this approach allows direct assignment of the constrained rotational mode of Mo3O13 clusters and internal modes of MoO6 polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems. PMID:26429001

  4. Multi-scaled normal mode analysis method for dynamics simulation of protein-membrane complexes: A case study of potassium channel gating motion correlations.

    Science.gov (United States)

    Wu, Xiaokun; Han, Min; Ming, Dengming

    2015-10-01

    Membrane proteins play critically important roles in many cellular activities such as ions and small molecule transportation, signal recognition, and transduction. In order to fulfill their functions, these proteins must be placed in different membrane environments and a variety of protein-lipid interactions may affect the behavior of these proteins. One of the key effects of protein-lipid interactions is their ability to change the dynamics status of membrane proteins, thus adjusting their functions. Here, we present a multi-scaled normal mode analysis (mNMA) method to study the dynamics perturbation to the membrane proteins imposed by lipid bi-layer membrane fluctuations. In mNMA, channel proteins are simulated at all-atom level while the membrane is described with a coarse-grained model. mNMA calculations clearly show that channel gating motion can tightly couple with a variety of membrane deformations, including bending and twisting. We then examined bi-channel systems where two channels were separated with different distances. From mNMA calculations, we observed both positive and negative gating correlations between two neighboring channels, and the correlation has a maximum as the channel center-to-center distance is close to 2.5 times of their diameter. This distance is larger than recently found maximum attraction distance between two proteins embedded in membrane which is 1.5 times of the protein size, indicating that membrane fluctuation might impose collective motions among proteins within a larger area. The hybrid resolution feature in mNMA provides atomic dynamics information for key components in the system without costing much computer resource. We expect it to be a conventional simulation tool for ordinary laboratories to study the dynamics of very complicated biological assemblies. The source code is available upon request to the authors. PMID:26450298

  5. Multi-scaled normal mode analysis method for dynamics simulation of protein-membrane complexes: A case study of potassium channel gating motion correlations

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Xiaokun; Han, Min; Ming, Dengming, E-mail: dming@fudan.edu.cn [Department of Physiology and Biophysics, School of Life Sciences, Fudan University, Shanghai (China)

    2015-10-07

    Membrane proteins play critically important roles in many cellular activities such as ions and small molecule transportation, signal recognition, and transduction. In order to fulfill their functions, these proteins must be placed in different membrane environments and a variety of protein-lipid interactions may affect the behavior of these proteins. One of the key effects of protein-lipid interactions is their ability to change the dynamics status of membrane proteins, thus adjusting their functions. Here, we present a multi-scaled normal mode analysis (mNMA) method to study the dynamics perturbation to the membrane proteins imposed by lipid bi-layer membrane fluctuations. In mNMA, channel proteins are simulated at all-atom level while the membrane is described with a coarse-grained model. mNMA calculations clearly show that channel gating motion can tightly couple with a variety of membrane deformations, including bending and twisting. We then examined bi-channel systems where two channels were separated with different distances. From mNMA calculations, we observed both positive and negative gating correlations between two neighboring channels, and the correlation has a maximum as the channel center-to-center distance is close to 2.5 times of their diameter. This distance is larger than recently found maximum attraction distance between two proteins embedded in membrane which is 1.5 times of the protein size, indicating that membrane fluctuation might impose collective motions among proteins within a larger area. The hybrid resolution feature in mNMA provides atomic dynamics information for key components in the system without costing much computer resource. We expect it to be a conventional simulation tool for ordinary laboratories to study the dynamics of very complicated biological assemblies. The source code is available upon request to the authors.

  6. Multi-scaled normal mode analysis method for dynamics simulation of protein-membrane complexes: A case study of potassium channel gating motion correlations

    Science.gov (United States)

    Wu, Xiaokun; Han, Min; Ming, Dengming

    2015-10-01

    Membrane proteins play critically important roles in many cellular activities such as ions and small molecule transportation, signal recognition, and transduction. In order to fulfill their functions, these proteins must be placed in different membrane environments and a variety of protein-lipid interactions may affect the behavior of these proteins. One of the key effects of protein-lipid interactions is their ability to change the dynamics status of membrane proteins, thus adjusting their functions. Here, we present a multi-scaled normal mode analysis (mNMA) method to study the dynamics perturbation to the membrane proteins imposed by lipid bi-layer membrane fluctuations. In mNMA, channel proteins are simulated at all-atom level while the membrane is described with a coarse-grained model. mNMA calculations clearly show that channel gating motion can tightly couple with a variety of membrane deformations, including bending and twisting. We then examined bi-channel systems where two channels were separated with different distances. From mNMA calculations, we observed both positive and negative gating correlations between two neighboring channels, and the correlation has a maximum as the channel center-to-center distance is close to 2.5 times of their diameter. This distance is larger than recently found maximum attraction distance between two proteins embedded in membrane which is 1.5 times of the protein size, indicating that membrane fluctuation might impose collective motions among proteins within a larger area. The hybrid resolution feature in mNMA provides atomic dynamics information for key components in the system without costing much computer resource. We expect it to be a conventional simulation tool for ordinary laboratories to study the dynamics of very complicated biological assemblies. The source code is available upon request to the authors.

  7. Multi-scaled normal mode analysis method for dynamics simulation of protein-membrane complexes: A case study of potassium channel gating motion correlations

    International Nuclear Information System (INIS)

    Membrane proteins play critically important roles in many cellular activities such as ions and small molecule transportation, signal recognition, and transduction. In order to fulfill their functions, these proteins must be placed in different membrane environments and a variety of protein-lipid interactions may affect the behavior of these proteins. One of the key effects of protein-lipid interactions is their ability to change the dynamics status of membrane proteins, thus adjusting their functions. Here, we present a multi-scaled normal mode analysis (mNMA) method to study the dynamics perturbation to the membrane proteins imposed by lipid bi-layer membrane fluctuations. In mNMA, channel proteins are simulated at all-atom level while the membrane is described with a coarse-grained model. mNMA calculations clearly show that channel gating motion can tightly couple with a variety of membrane deformations, including bending and twisting. We then examined bi-channel systems where two channels were separated with different distances. From mNMA calculations, we observed both positive and negative gating correlations between two neighboring channels, and the correlation has a maximum as the channel center-to-center distance is close to 2.5 times of their diameter. This distance is larger than recently found maximum attraction distance between two proteins embedded in membrane which is 1.5 times of the protein size, indicating that membrane fluctuation might impose collective motions among proteins within a larger area. The hybrid resolution feature in mNMA provides atomic dynamics information for key components in the system without costing much computer resource. We expect it to be a conventional simulation tool for ordinary laboratories to study the dynamics of very complicated biological assemblies. The source code is available upon request to the authors

  8. Multi-scaled normal mode analysis method for dynamics simulation of protein-membrane complexes: A case study of potassium channel gating motion correlations.

    Science.gov (United States)

    Wu, Xiaokun; Han, Min; Ming, Dengming

    2015-10-01

    Membrane proteins play critically important roles in many cellular activities such as ions and small molecule transportation, signal recognition, and transduction. In order to fulfill their functions, these proteins must be placed in different membrane environments and a variety of protein-lipid interactions may affect the behavior of these proteins. One of the key effects of protein-lipid interactions is their ability to change the dynamics status of membrane proteins, thus adjusting their functions. Here, we present a multi-scaled normal mode analysis (mNMA) method to study the dynamics perturbation to the membrane proteins imposed by lipid bi-layer membrane fluctuations. In mNMA, channel proteins are simulated at all-atom level while the membrane is described with a coarse-grained model. mNMA calculations clearly show that channel gating motion can tightly couple with a variety of membrane deformations, including bending and twisting. We then examined bi-channel systems where two channels were separated with different distances. From mNMA calculations, we observed both positive and negative gating correlations between two neighboring channels, and the correlation has a maximum as the channel center-to-center distance is close to 2.5 times of their diameter. This distance is larger than recently found maximum attraction distance between two proteins embedded in membrane which is 1.5 times of the protein size, indicating that membrane fluctuation might impose collective motions among proteins within a larger area. The hybrid resolution feature in mNMA provides atomic dynamics information for key components in the system without costing much computer resource. We expect it to be a conventional simulation tool for ordinary laboratories to study the dynamics of very complicated biological assemblies. The source code is available upon request to the authors.

  9. The effective degeneracy of protein normal modes

    Science.gov (United States)

    Na, Hyuntae; Song, Guang

    2016-06-01

    Normal modes are frequently computed and used to portray protein dynamics and interpret protein conformational changes. In this work, we investigate the nature of normal modes and find that the normal modes of proteins, especially those at the low frequency range (0–600 cm‑1), are highly susceptible to degeneracy. Two or more modes are degenerate if they have the same frequency and consequently any orthogonal transformation of them also is a valid representation of the mode subspace. Thus, degenerate modes can no longer characterize unique directions of motions as regular modes do. Though the normal modes of proteins are usually of different frequencies, the difference in frequency between neighboring modes is so small that, under even slight structural uncertainty that unavoidably exists in structure determination, it can easily vanish and as a result, a mode becomes effectively degenerate with its neighboring modes. This can be easily observed in that some modes seem to disappear and their matching modes cannot be found when the structure used to compute the modes is modified only slightly. We term this degeneracy the effective degeneracy of normal modes. This work is built upon our recent discovery that the vibrational spectrum of globular proteins is universal. The high density of modes observed in the vibrational frequency spectra of proteins renders their normal modes highly susceptible to degeneracy, under even the smallest structural uncertainty. Indeed, we find the degree of degeneracy of modes is proportional to the density of modes in the vibrational spectrum. This means that for modes at the same frequency, degeneracy is more severe for larger proteins. Degeneracy exists also in the modes of coarse-grained models, but to a much lesser extent than those of all-atom models. In closing, we discuss the implications of the effective degeneracy of normal modes: how it may significantly affect the ways in which normal modes are used in various normal modes

  10. WEBnm@: a web application for normal mode analyses of proteins

    Directory of Open Access Journals (Sweden)

    Reuter Nathalie

    2005-03-01

    Full Text Available Abstract Background Normal mode analysis (NMA has become the method of choice to investigate the slowest motions in macromolecular systems. NMA is especially useful for large biomolecular assemblies, such as transmembrane channels or virus capsids. NMA relies on the hypothesis that the vibrational normal modes having the lowest frequencies (also named soft modes describe the largest movements in a protein and are the ones that are functionally relevant. Results We developed a web-based server to perform normal modes calculations and different types of analyses. Starting from a structure file provided by the user in the PDB format, the server calculates the normal modes and subsequently offers the user a series of automated calculations; normalized squared atomic displacements, vector field representation and animation of the first six vibrational modes. Each analysis is performed independently from the others and results can be visualized using only a web browser. No additional plug-in or software is required. For users who would like to analyze the results with their favorite software, raw results can also be downloaded. The application is available on http://www.bioinfo.no/tools/normalmodes. We present here the underlying theory, the application architecture and an illustration of its features using a large transmembrane protein as an example. Conclusion We built an efficient and modular web application for normal mode analysis of proteins. Non specialists can easily and rapidly evaluate the degree of flexibility of multi-domain protein assemblies and characterize the large amplitude movements of their domains.

  11. Neutrino induced vorticity, Alfven waves and the normal modes

    CERN Document Server

    Bhatt, Jitesh R

    2016-01-01

    We consider plasma consisting of electrons and ions in presence of a background neutrino gas and develop the magneto hydrodynamic equations for the system. We show that electron neutrino interaction can induce vorticity in the plasma even in the absence of any electromagnetic perturbations if the background neutrino density is left-right asymmetric. This induced vorticity support a new kind of mode which will vanish when the background neutrino asymmetry vanishes. The normal mode analysis of the equations is done to show that, in the presence of neutrino back-ground, the normal modes get modified and the corrections are proportional to the neutrino asymmetry parameter.

  12. Resonance Raman spectra of phthalocyanine monolayers on different supports. A normal mode analysis of zinc phthalocyanine by means of the MNDO method

    NARCIS (Netherlands)

    Palys, Barbara J.; Ham, van den Dirk M.W.; Briels, Wim; Feil, Dirk

    1995-01-01

    Resonance Raman spectra of monolayers of transition metal phthalocyanines reveal specific interaction with the support. To elucidate its mechanism, Raman spectra of zinc phthalocyanine monolayers were studied. The analysis was based largely on the results of MNDO calculations. Calculated wavenumbers

  13. A spectral characterization of nonlinear normal modes

    Science.gov (United States)

    Cirillo, G. I.; Mauroy, A.; Renson, L.; Kerschen, G.; Sepulchre, R.

    2016-09-01

    This paper explores the relationship that exists between nonlinear normal modes (NNMs) defined as invariant manifolds in phase space and the spectral expansion of the Koopman operator. Specifically, we demonstrate that NNMs correspond to zero level sets of specific eigenfunctions of the Koopman operator. Thanks to this direct connection, a new, global parametrization of the invariant manifolds is established. Unlike the classical parametrization using a pair of state-space variables, this parametrization remains valid whenever the invariant manifold undergoes folding, which extends the computation of NNMs to regimes of greater energy. The proposed ideas are illustrated using a two-degree-of-freedom system with cubic nonlinearity.

  14. Comparative Investigation of Normal Modes and Molecular Dynamics of Hepatitis C NS5B Protein

    Science.gov (United States)

    Asafi, M. S.; Yildirim, A.; Tekpinar, M.

    2016-04-01

    Understanding dynamics of proteins has many practical implications in terms of finding a cure for many protein related diseases. Normal mode analysis and molecular dynamics methods are widely used physics-based computational methods for investigating dynamics of proteins. In this work, we studied dynamics of Hepatitis C NS5B protein with molecular dynamics and normal mode analysis. Principal components obtained from a 100 nanoseconds molecular dynamics simulation show good overlaps with normal modes calculated with a coarse-grained elastic network model. Coarse-grained normal mode analysis takes at least an order of magnitude shorter time. Encouraged by this good overlaps and short computation times, we analyzed further low frequency normal modes of Hepatitis C NS5B. Motion directions and average spatial fluctuations have been analyzed in detail. Finally, biological implications of these motions in drug design efforts against Hepatitis C infections have been elaborated.

  15. Normal modes of confined cold ionic systems

    Energy Technology Data Exchange (ETDEWEB)

    Schiffer, J.P.; Dubin, D.H. [Univ. of California, San Diego, CA (United States)

    1995-08-01

    The normal modes of a cloud of confined ions forming a strongly-correlated plasma were investigated. The results of molecular-dynamics simulations were compared to predictions of a cold fluid mode. Mode frequencies are observed to shift slightly compared to the cold fluid predictions, and the modes are also observed to damp in time. Simulations also reveal a set of torsional oscillations which have no counterpart in cold fluid theory. The frequency shift, damping, and torsional effects are compared to a model that treats trapped plasmas as a visco-elastic spheroid. It may be possible to measure high-frequency bulk and shear moduli of a strongly-correlated plasma from mode excitation experiments on trapped non-neutral plasmas. An example of the results of the calculation is presented.

  16. FTIR spectra and normal-mode analysis of a tetranuclear Manganese adamantane-like complex in two electrochemically prepared oxidation states: Relevance to the oxygen-evolving complex of Photosystem II

    Energy Technology Data Exchange (ETDEWEB)

    Visser, Hendrik; Dube, Christopher E.; Armstrong, William H.; Sauer, Kenneth; Yachandra, Vittal K.

    2002-03-19

    The IR spectra and normal-mode analysis of the adamantane-like compound [Mn4O6(bpea)4]n+ in two oxidation states, MnIV4 and MnIIIMnIV3, that are relevant to the oxygen-evolving complex of photosystem II are presented. Mn-O vibrational modes are identified with isotopic exchange, 16O->18O, of the mono-(mu)-oxo bridging atoms in the complex. IR spectra of the MnIIIMnIV3 species are obtained by electrochemical reduction of the MnIV4 species using a spectroelectrochemical cell, based on attenuated total reflection [Visser et al. Anal Chem 2001, 73, 4374-4378]. A novel method of subtraction is used to reduce background contributions from solvent and ligand modes, and the difference and double-difference spectra are used in identifying Mn-O bridging modes that are sensitive to oxidation state change. Two strong IR bands are observed for the MnIV4 species at 745 and 707 cm-1 and a weaker band at 510 cm-1. Upon reduction, the MnIIIMnIV3 species exhibits two strong IR bands at 745 and 680 cm-1, and several weaker bands are observed in the 510 - 425 cm-1 range. A normal mode analysis is performed to assign all the relevant bridging modes in the oxidized MnIV4 and reduced MnIIIMnIV3 species. The calculated force constants for the MnIV4 species are = 3.15 mdynAngstrom, = 0.55 mdyn/Angstrom, and = 0.20 mdyn/Angstrom. The force constants for the MnIIIMnIV3 species are = 3.10 mdyn/Angstrom, = 2.45 mdyn/Angstrom, = 0.40, and = 0.15 mdyn/Angstrom. This study provides insights for the identification of Mn-O modes in the IR spectra of the photosynthetic oxygen-evolving complex during its catalytic cycle.

  17. New approach to the normal mode method in underwater acoustics

    Institute of Scientific and Technical Information of China (English)

    王宁; 刘进忠

    2002-01-01

    A new approach to the numerical solution of normal mode problems in underwater acoustics is presented, in whichthe corresponding normal mode problem is transformed to the problem of solving a dynamic system. Three applica-tions are considered: (1) the broad band normal mode problem; (2) the range-dependent problem with perturbationproportional to the range parameter; and (3) the evolution of the normal mode with environmental parameters. Anumerical simulation for a broad band problem is performed, and the calculated eigenvalues have good agreement withthose obtained by the standard normal mode code KRAKAN.

  18. Response and normal modes of a system in the electric and magnetic-dipole approximation

    International Nuclear Information System (INIS)

    The effect of making the interaction fields evolve from a finite time of a system of molecules is studied in the electric- and magnetic-dipole approximation. Features due to the breaking up of the infinite evolution time are discussed. The resulting equations are analyzed for the response of the system. The analysis of the equations for the propagation of normal modes is manifested. The conditions under which normal modes propagate are stated. (author)

  19. The Symmetricity of Normal Modes in Symmetric Complexes

    CERN Document Server

    Song, Guang

    2016-01-01

    In this work, we look at the symmetry of normal modes in symmetric structures, particularly structures with cyclic symmetry. We show that normal modes of symmetric structures have different levels of symmetry, or symmetricity. One novel theoretical result of this work is that, for a ring structure with $m$ subunits, the symmetricity of the normal modes falls into $m$ groups of equal size, with normal modes in each group having the same symmetricity. The normal modes in each group can be computed separately, using a much smaller amount of memory and time (up to $m^3$ less), thus making it applicable to larger complexes. We show that normal modes with perfect symmetry or anti-symmetry have no degeneracy while the rest of the modes have a degeneracy of two. We show also how symmetry in normal modes correlates with symmetry in structure. While a broken symmetry in structure generally leads to a loss of symmetricity in symmetric normal modes, the symmetricity of some symmetric normal modes is preserved even when s...

  20. On normal modes of gas sheets and discs

    International Nuclear Information System (INIS)

    A method is described for calculating the reflection and transmission coefficients characterizing normal modes of the Goldreich-Lynden-Bell gas sheet. Two families of gas discs without self-gravity for which the normal modes can be found analytically are given and used to illustrate the validity of the sheet approximation. (author)

  1. Assessing the Comprehensive Seismic Earth Model using normal mode data

    Science.gov (United States)

    Koelemeijer, Paula; Afanasiev, Michael; Fichtner, Andreas; Gokhberg, Alexey

    2016-04-01

    Advances in computational resources and numerical methods allow the simulation of realistic seismic wave propagation through complex media, while ensuring that the complete wave field is correctly represented in synthetic seismograms. This full waveform inversion is widely applied on regional and continental scales, where particularly dense data sampled can be achieved leading to an increased resolution in the obtained model images. On a global scale, however, full waveform tomography is still and will continue to be limited to longer length scales due to the large computational costs. Normal mode tomography provides an alternative fast full waveform approach for imaging seismic structures in a global way. Normal modes are not limited by the poor station-earthquake distribution and provide sensitivity to density structure. Using normal modes, a more robust long wavelength background model can be obtained, leading to more accurate absolute velocity models for tectonic and mineral physics interpretations. In addition, it is vital to combine all seismic data types across accessible periods to obtain a more complete, consistent and interpretable image of the Earth's interior. Here, we aim to combine the globally sensitive long period normal modes with shorter period full waveform modelling within the multi-scale framework of the Comprehensive Seismic Earth Model (CSEM). The multi-scale inversion framework of the CSEM allows exploitation of the full waveform capacity on both sides of the seismic spectrum. As the CSEM includes high-resolution subregions with velocity variations at much shorter wavelengths than normal modes could constrain, the question arises whether these small-scale variations are noticeable in normal mode data, and which modes respond in particular. We report here on experiments in which we address these questions. We separately investigate the effects of small-scale variations in shear-wave velocity and compressional wave velocity compared to the

  2. "Good Vibrations": A workshop on oscillations and normal modes

    Science.gov (United States)

    Barbieri, Sara; Carpineti, Marina; Giliberti, Marco; Rigon, Enrico; Stellato, Marco; Tamborini, Marina

    2016-05-01

    We describe some theatrical strategies adopted in a two hour workshop in order to show some meaningful experiments and the underlying useful ideas to describe a secondary school path on oscillations, that develops from harmonic motion to normal modes of oscillations, and makes extensive use of video analysis, data logging, slow motions and applet simulations. Theatre is an extremely useful tool to stimulate motivation starting from positive emotions. That is the reason why the theatrical approach to the presentation of physical themes has been explored by the group "Lo spettacolo della Fisica" (http://spettacolo.fisica.unimi.it) of the Physics Department of University of Milano for the last ten years (Carpineti et al., JCOM, 10 (2011) 1; Nuovo Cimento B, 121 (2006) 901) and has been inserted also in the European FP7 Project TEMI (Teaching Enquiry with Mysteries Incorporated, see http://teachingmysteries.eu/en) which involves 13 different partners coming from 11 European countries, among which the Italian (Milan) group. According to the TEMI guidelines, this workshop has a written script based on emotionally engaging activities of presenting mysteries to be solved while participants have been involved in nice experiments following the developed path.

  3. Quasi-Normal Modes of Stars and Black Holes

    Directory of Open Access Journals (Sweden)

    Kokkotas Kostas

    1999-01-01

    Full Text Available Perturbations of stars and black holes have been one of the main topics of relativistic astrophysics for the last few decades. They are of particular importance today, because of their relevance to gravitational wave astronomy. In this review we present the theory of quasi-normal modes of compact objects from both the mathematical and astrophysical points of view. The discussion includes perturbations of black holes (Schwarzschild, Reissner-Nordström, Kerr and Kerr-Newman and relativistic stars (non-rotating and slowly-rotating. The properties of the various families of quasi-normal modes are described, and numerical techniques for calculating quasi-normal modes reviewed. The successes, as well as the limits, of perturbation theory are presented, and its role in the emerging era of numerical relativity and supercomputers is discussed.

  4. Normal modes of prion proteins: from native to infectious particle.

    Science.gov (United States)

    Samson, Abraham O; Levitt, Michael

    2011-03-29

    Prion proteins (PrP) are the infectious agent in transmissible spongiform encephalopathies (i.e., mad cow disease). To be infectious, prion proteins must undergo a conformational change involving a decrease in α-helical content along with an increase in β-strand content. This conformational change was evaluated by means of elastic normal modes. Elastic normal modes show a diminution of two α-helices by one and two residues, as well as an extension of two β-strands by three residues each, which could instigate the conformational change. The conformational change occurs in a region that is compatible with immunological studies, and it is observed more frequently in mutant prions that are prone to conversion than in wild-type prions because of differences in their starting structures, which are amplified through normal modes. These findings are valuable for our comprehension of the conversion mechanism associated with the conformational change in prion proteins. PMID:21338080

  5. Normal Modes of Prion Proteins: From Native to Infectious particle◊

    OpenAIRE

    Samson, Abraham O.; Levitt, Michael

    2011-01-01

    Prion proteins (PrP) are the infectious agent in transmissible spongiform encephalopathies (i.e. mad cow disease). To be infectious, prion proteins must undergo a conformational change involving a decrease of α-helical content along with an increase of β-strand structure. This conformational change was evaluated by means of elastic normal modes. Elastic normal modes show a diminution of two α-helices by one and two residues, as well as an extension of two β-strands by three residues each whic...

  6. Mean flow generation mechanism by inertial waves and normal modes

    Science.gov (United States)

    Will, Andreas; Ghasemi, Abouzar

    2016-04-01

    The mean flow generation mechanism by nonlinearity of the inertial normal modes and inertial wave beams in a rotating annular cavity with longitudinally librating walls in stable regime is discussed. Inertial normal modes (standing waves) are excited when libration frequency matches eigenfrequencies of the system. Inertial wave beams are produced by Ekman pumping and suction in a rotating cylinder and form periodic orbits or periodic ray trajectories at selected frequencies. Inertial wave beams emerge as concentrated shear layers in a librating annular cavity, while normal modes appear as global recirculation cells. Both (inertial wave beam and mode) are helical and thus intrinsically non-linear flow structures. No second mode or wave is necessary for non-linearity. We considered the low order normal modes (1,1), (2,1) and (2,2) which are expected to be excited in the planetary objects and investigate the mean flow generation mechanism using two independent solutions: 1) analytical solution (Borcia 2012) and 2) the wave component of the flow (ω0 component) obtained from the direct numerical simulation (DNS). It is well known that a retrograde bulk mean flow is generated by the Ekman boundary layer and E1/4-Stewartson layer close to the outer cylinder side wall due to libration. At and around the normal mode resonant frequencies we found additionally a prograde azimuthal mean flow (Inertial Normal Mode Mean Flow: INMMF) in the bulk of the fluid. The fluid in the bulk is in geostrophic balance in the absence of the inertial normal modes. However, when INMMF is excited, we found that the geostrophic balance does not hold in the region occupied by INMMF. We hypothesize that INMMF is generated by the nonlinearity of the normal modes or by second order effects. Expanding the velocity {V}(u_r,u_θ,u_z) and pressure (p) in a power series in ɛ (libration amplitude), the Navier-Stokes equations are segregated into the linear and nonlinear parts at orders ɛ1 and ɛ^2

  7. S-Wave Normal Mode Propagation in Aluminum Cylinders

    Science.gov (United States)

    Lee, Myung W.; Waite, William F.

    2010-01-01

    Large amplitude waveform features have been identified in pulse-transmission shear-wave measurements through cylinders that are long relative to the acoustic wavelength. The arrival times and amplitudes of these features do not follow the predicted behavior of well-known bar waves, but instead they appear to propagate with group velocities that increase as the waveform feature's dominant frequency increases. To identify these anomalous features, the wave equation is solved in a cylindrical coordinate system using an infinitely long cylinder with a free surface boundary condition. The solution indicates that large amplitude normal-mode propagations exist. Using the high-frequency approximation of the Bessel function, an approximate dispersion relation is derived. The predicted amplitude and group velocities using the approximate dispersion relation qualitatively agree with measured values at high frequencies, but the exact dispersion relation should be used to analyze normal modes for full ranges of frequency of interest, particularly at lower frequencies.

  8. Electromagnetic normal modes and Casimir effects in layered structures

    CERN Document Server

    Sernelius, Bo E

    2014-01-01

    We derive a general procedure for finding the electromagnetic normal modes in layered structures. We apply this procedure to planar, spherical and cylindrical structures. These normal modes are important in a variety of applications. They are the only input needed in calculations of Casimir interactions. We present explicit expression for the condition for modes and Casimir energy for a large number of specific geometries. The layers are allowed to be two-dimensional so graphene and graphene-like sheets as well as two-dimensional electron gases can be handled within the formalism. Also forces on atoms in layered structures are obtained. One side-result is the van der Waals and Casimir-Polder interaction between two atoms.

  9. Nonlinear normal modes in mechanical systems: concept and computation with numerical continuation

    OpenAIRE

    Silva Bernárdez, Alejandro

    2016-01-01

    The purpose of this Project is, first and foremost, to disclose the topic of nonlinear vibrations and oscillations in mechanical systems and, namely, nonlinear normal modes NNMs to a greater audience of researchers and technicians. To do so, first of all, the dynamical behavior and properties of nonlinear mechanical systems is outlined from the analysis of a pair of exemplary models with the harmonic balanced method. The conclusions drawn are contrasted with the Linear Vibration Theory. Th...

  10. Normal Modes of the B=4 Skyrme Soliton

    CERN Document Server

    Barnes, C; Turok, N G; Barnes, Chris; Baskerville, Kim; Turok, Neil

    1997-01-01

    The Skyrme model of nuclear physics requires quantisation if it is to match observed nuclear properties. A simple technique is used to find the normal mode spectrum of the baryon number $B=4$ Skyrme soliton, representing the $\\alpha$ particle. We find sixteen vibrational modes and classify them under the cubic symmetry group $O_h$ of the static solution. The spectrum possesses a remarkable structure, with the lowest energy modes lying in those representations expected from an approximate correspondence between Skyrmions and BPS monopoles. The next mode up is the `breather', and above that are higher multipole breathing modes.

  11. Linear Plasma Oscillation Described by Superposition of Normal Modes

    DEFF Research Database (Denmark)

    Pécseli, Hans

    1974-01-01

    The existence of steady‐state solutions to the linearized ion and electron Vlasov equation is demonstrated for longitudinal waves in an initially stable plasma. The evolution of an arbitrary initial perturbation can be described by superposition of these solutions. Some common approximations to the...... full set of equations can be solved in the same way. In some special cases, relevant, for instance, for single‐ended Q machine experiments, a problem with given boundary conditions can be solved by superposition of normal modes....

  12. Normal mode determination of perovskite crystal structures with octahedral rotations: theory and applications.

    Science.gov (United States)

    Islam, Mohammad A; Rondinelli, James M; Spanier, Jonathan E

    2013-05-01

    Nuclear site analysis methods are used to enumerate the normal modes of ABX3 perovskite polymorphs with octahedral rotations. We provide the modes of the 14 subgroups of the cubic aristotype describing the Glazer octahedral tilt patterns, which are obtained from rotations of the BX6 octahedra with different sense and amplitude about high-symmetry axes. We tabulate all normal modes of each tilt system and specify the contribution of each atomic species to the mode displacement pattern, elucidating the physical meaning of the symmetry unique modes. We have systematically generated 705 schematic atomic displacement patterns for the normal modes of all 15 (14 rotated + 1 unrotated) Glazer tilt systems. We show through some illustrative examples how to use these tables to identify the octahedral rotations, symmetric breathing, and first-order Jahn-Teller anti-symmetric breathing distortions of the BX6 octahedra, and the associated Raman selection rules. We anticipate that these tables and schematics will be useful in understanding the lattice dynamics of bulk perovskites and could serve as a reference point in elucidating the atomic origins of a wide range of physical properties of synthetic perovskite thin films and superlattices. PMID:23567868

  13. Entanglement Dynamics in Typical Local- and Normal-Mode Molecules

    Institute of Scientific and Technical Information of China (English)

    HOU Xi-Wen; WAN Ming-Fang; MA Zhong-Qi

    2007-01-01

    The entanglement dynamics of two stretching vibrations in theoretically typical local- and normal-mode molecules and realistic molecules H2O and SO2 in an algebraic model is studied in terms of the reduced-density linear entropy with initial entangled states taken to be two-mode squeezed vacuum states. It is shown that the behaviour of the entropy in theoretically typical molecules appears to be more regular than that in realistic ones, and that the entropy becomes irregular as the amplitude of two-mode squeezed vacuum states increases. For initial states with a small amplitude, it is demonstrated that the periodicity and the "classical" beat phenomenon of the entropy occur with the beat in theoretically typical molecules being more regular than that in realistic molecules H2O and SO2.

  14. Normal mode extraction and environmental inversion from underwater acoustic data

    Science.gov (United States)

    Neilsen, Tracianne Beesley

    2000-11-01

    The normal modes of acoustic propagation in the shallow ocean are extracted from sound recorded on a vertical line array (VLA) of hydrophones as a source travels nearby, and the extracted modes are used to invert for the environmental properties of the ocean. The mode extraction is accomplished by performing a singular value decomposition (SVD) of individual frequency components of the signal's temporally-averaged, spatial cross-spectral density matrix. The SVD produces a matrix containing a mutually orthogonal set of basis functions, which are proportional to the depth-dependent normal modes, and a diagonal matrix containing the singular values, which are proportional to the modal source excitations and mode eigenvalues. The extracted modes exist in the ocean at the time the signal is recorded and thus may be used to estimate the sound speed profile and bottom properties. The inversion scheme iteratively refines the environmental parameters using a Levenberg-Marquardt algorithm such that the modeled modes approach the data- extracted modes Simulations are performed to examine the robustness and practicality of the mode extraction and inversion techniques. Experimental data measured in the Hudson Canyon Area of the New Jersey Shelf are analyzed, and modes are successfully extracted at the frequencies of a towed source. Modes are also extracted from ambient noise recorded on the VLA during the experiment. Using data-extracted modes, inverted values of the water depth, the thickness of a thin first sediment layer, and the compressional sound speed at the top of the first layer are found to be in good agreement with historical values. The density, attenuation, and properties of the second layer are not well determined because the inversion method is only able to obtain reliable values for the parameters that influence the mode shapes in the water column.

  15. Theoretical and experimental study of the normal modes in a coupled two-dimensional system

    CERN Document Server

    Giménez, Marcos H; Gómez-Tejedor, José Antonio; Velazquez, Luisberis; Monsoriu, Juan A

    2016-01-01

    In this work, the normal modes of a two-dimensional oscillating system have been studied from a theoretical and experimental point of view. The normal frequencies predicted by the Hessian matrix for a coupled two-dimensional particle system are compared to those obtained for a real system consisting of two oscillating smartphones coupled one to the other by springs. Experiments are performed on an air table in order to remove the friction forces. The oscillation data are captured by the acceleration sensor of the smartphones and exported to file for further analysis. The experimental frequencies compare reasonably well with the theoretical predictions, namely, within 1.7 % of discrepancy.

  16. Quasi-Normal Modes for Subtracted Rotating and Magnetised Geometries

    CERN Document Server

    Cvetic, M; Saleem, Z H

    2014-01-01

    We obtain explicit separable solutions of the wave equation of massless minimally coupled scalar fields in the subtracted geometry of four-dimensional rotating and Melvin (magnetised) four-charge black holes of the STU model, a consistent truncation of maximally supersymmetric supergravity with four types of electromagnetic fields. These backgrounds possess a hidden SL(2,R) x SL(2,R) x SO(3) symmetry and faithfully model the near horizon geometry of these black holes, but locate them in a confining asymptotically conical box. For each subtracted geometry we obtain two branches of quasi-normal modes, given in terms of hypergeometric functions and spherical harmonics. One branch is over-damped and the other under-damped and they exhibit rotational splitting. No black hole bomb is possible because the Killing field which co-rotates with the horizon is everywhere timelike outside the black hole. A five-dimensional lift of these geometries is given locally by the product of a BTZ black hole with a a two-sphere. Th...

  17. Normal modes of relativistic systems in post Newtonian approximation

    CERN Document Server

    Sobouti, Y

    1998-01-01

    We use the post Newtonian (pn) order of Liouville's equation (pnl) to study the normal modes of oscillation of a relativistic system. In addition to classical modes, we are able to isolate a new class of oscillations that arise from perturbations of the space-time metric. In the first pn order; a) their frequency is an order q smaller than the classical frequencies, where q is a pn expansion parameter; b) they are not damped, for there is no gravitational wave radiation in this order; c) they are not coupled with the classical modes in q order; d) in a spherically symmetric system, they are designated by a pair of angular momentum eigennumbers, (j,m), of a pair of phase space angular momentum operators (J^2,J_z). Hydrodynamical behavior of these new modes is also investigated; a) they do not disturb the equilibrium of the classical fluid; b) they generate macroscopic toroidal motions that in classical case would be neutral; c) they give rise to an oscillatory g_{0i} component of the metric tensor that otherwi...

  18. A Bloch mode expansion approach for analyzing quasi-normal modes in open nanophotonic structures

    DEFF Research Database (Denmark)

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper;

    2014-01-01

    conventional techniques. The quasi-normal modes are determined by constructing a cavity roundtrip matrix and iterating the complex mode wavelength towards a unity eigenvalue. We demonstrate the method by deter- mining quasi-normal modes of cavities in two-dimensional photonic crystals side-coupled to W1......We present a new method for determining quasi-normal modes in open nanophotonic structures using a modal ex- pansion technique. The outgoing wave boundary condition of the quasi-normal modes is satisfied automatically without absorbing boundaries, representing a significant advantage compared to...

  19. A New Non-linear Technique for Measurement of Splitting Functions of Normal Modes of the Earth

    Science.gov (United States)

    Pachhai, S.; Masters, G.; Tkalcic, H.

    2014-12-01

    Normal modes are the vibrating patterns of the Earth in response to the large earthquakes. Normal mode spectra are split due to Earth's rotation, ellipticity, and heterogeneity. The normal mode splitting is visualized through splitting functions, which represent the local radial average of Earth's structure seen by a mode of vibration. The analysis of the splitting of normal modes can provide unique information about the lateral variation of the Earth's elastic properties that cannot be directly imaged in body wave tomographic images. The non-linear iterative spectral fitting of the observed complex spectra and autoregressive linear inversion have been widely utilized to compute the Earth's 3-D structure. However, the non-linear inversion requires a model of the earthquake source and the retrieved 3-D structure is sensitive to the initial constraints. In contrast, the autoregressive linear inversion does not require the source model. However, this method requires many events to achieve full convergence. In addition, significant disagreement exists between different studies because of the non-uniqueness of the problem and limitations of different methods. We thus apply the neighbourhood algorithm (NA) to measure splitting functions. The NA is an efficient model space search technique and works in two steps: In the first step, the algorithm finds all the models compatible with given data while the posterior probability density of the model parameters are obtained in the second step. The NA can address the problem of non-uniqueness by taking advantage of random sampling of the full model space. The parameter trade-offs are conveniently visualized using joint marginal distributions. In addition, structure coefficients uncertainties can be extracted from the posterior probability distribution. After demonstrating the feasibility of NA with synthetic examples, we compute the splitting functions for the mode 13S2 (sensitive to the inner core) from several large

  20. Normal modes and quality factors of spherical dielectric resonators: I — Shielded dielectric sphere

    Indian Academy of Sciences (India)

    R A Yadav; I D Singh

    2004-06-01

    Electromagnetic theoretic analysis of shielded homogeneous and isotropic dielectric spheres has been made. Characteristic equations for the TE and TM modes have been derived. Dielectric spheres of radii of the order of $$m size are found suitable for the optical frequency region whereas for the microwave region radii of the order of mm size are found suitable. Parameters suitable for their application in the optical and microwave frequency ranges have been used to compute the frequencies corresponding to the normal modes for the TE and TM modes. Expressions for the quality factors for realistic resonators, i.e., for a dielectric sphere with a non-zero conductivity and a metal shield with a finite conductivity have also been derived for the TE and TM modes. Computations of the quality factors have been made for resonators with parameters suitable for the optical and the microwave regions.

  1. Unstable normal modes of low T/W dynamical instabilities in differentially rotating stars

    CERN Document Server

    Saijo, Motoyuki

    2016-01-01

    We investigate the nature of low T/W dynamical instabilities in differentially rotating stars by means of linear perturbation. Here, T and W represent rotational kinetic energy and the gravitational binding energy of the star. This is the first attempt to investigate low T/W dynamical instabilities as a complete set of the eigenvalue problem. Our equilibrium configuration has "constant" specific angular momentum distribution, which potentially contains a singular solution in the perturbed enthalpy at corotation radius in linear perturbation. We find the unstable normal modes of differentially rotating stars by solving the eigenvalue problem along the equatorial plane of the star, imposing the regularity condition on the center and the vanished enthalpy at the oscillating equatorial surface. We find that the existing pulsation modes become unstable due to the existence of the corotation radius inside the star. The feature of the unstable mode eigenfrequency and its eigenfunction in the linear analysis roughly ...

  2. Quasi-normal Modes of Extremal Black Holes from Hidden Conformal Symmetry

    CERN Document Server

    Chen, Bin

    2010-01-01

    In this paper, we construct the quasi-normal modes of three-dimensional extremal black holes in an algebraic way. We show that the infinite towers of the quasi-normal modes of scalar, vector and tensor could be constructed as the descendents of the highest weight modes. Our investigation shows that the hidden conformal symmetry suggested in arXiv:1007.4269 is an intrinsic property of the extremal black hole. Moreover, we notice that we need to fix the freedom in defining the local vector fields and find the right hidden conformal symmetry to obtain the physical quasi-normal modes.

  3. SwarmDock and the Use of Normal Modes in Protein-Protein Docking

    Directory of Open Access Journals (Sweden)

    Paul A. Bates

    2010-09-01

    Full Text Available Here is presented an investigation of the use of normal modes in protein-protein docking, both in theory and in practice. Upper limits of the ability of normal modes to capture the unbound to bound conformational change are calculated on a large test set, with particular focus on the binding interface, the subset of residues from which the binding energy is calculated. Further, the SwarmDock algorithm is presented, to demonstrate that the modelling of conformational change as a linear combination of normal modes is an effective method of modelling flexibility in protein-protein docking.

  4. A comparative study of the normal modes of various modern bells

    Science.gov (United States)

    Perrin, R.; Charnley, T.

    1987-09-01

    Finite element calculations of the normal modes of church, carillon, hand and fire-alarm bells have been made. Some of the results are presented and comparisons made which shed new light on mode classification.

  5. Streaky signal in seismic normal mode band observed at Syowa Station, Antarctica

    OpenAIRE

    早河, 秀章; 澁谷, 和雄; 土井, 浩一郎; 青山, 雄一; 金尾, 政紀; 池田, 博

    2010-01-01

    Background free oscillations are known as continuous and global signals on noise level in seismic normal mode band. These were found from record of superconducting gravimeter (SG) at Syowa Station, Antarctica in 1998 [Nawa et al. 1998], and then were confirmed at various sites. Other unknown slightly broad spectrum peaks were also found as streak on spectrogram in seismic normal mode band of Syowa SG data. But these signals ware not found in gravimeter and seismometer records from any other s...

  6. Review of Applications of Nonlinear Normal Modes for Vibrating Mechanical Systems

    OpenAIRE

    Avramov, Konstantin; Mikhlin, Yuri

    2013-01-01

    International audience This paper is an extension of the previous review Nonlinear Normal Modes for Vibrating Mechanical Systems. Review of Theoretical Developments done by the authors, and it is devoted to applications of nonlinear normal modes (NNMs) theory. NNMs are typical regimes of motions in wide classes of nonlinear mechanical systems. The significance of NNMs for mechanical engineering is determined by several important properties of these motions. Forced resonances motions of non...

  7. Determining the long living quasi-normal modes of relativistic stars

    Institute of Scientific and Technical Information of China (English)

    Lü Jun-Li; Suen Wai-Mo

    2011-01-01

    Methods of finding quasi-normal modes of non-rotating relativistic stars have been well established, however, none of the existing treatments which take spacetime and fluid oscillations fully into account can determine modes of long decay time, e.g., the p and g mode series, or the f modes for stars with low compactness ratio(M/R). In this paper we show how the quasi-normal modes of long lifetime can be determined through refinements of a treatment originally due to Detweiler and Lindblom. The determination of the p mode series has been argued in the literature to have implication on the life time of gravitational wave sources and stellar stability. In this paper we 1)provide detailed steps in our treatment to facilitate future effort in this direction;2)correct mistakes in the literature on the formulation;and 3)analyse the accuracy of the quasi-normal mode frequencies obtained and the limitations of the treatment.

  8. An efficient and numerically stable procedure for generating sextic force fields in normal mode coordinates.

    Science.gov (United States)

    Sibaev, M; Crittenden, D L

    2016-06-01

    In this paper, we outline a general, scalable, and black-box approach for calculating high-order strongly coupled force fields in rectilinear normal mode coordinates, based upon constructing low order expansions in curvilinear coordinates with naturally limited mode-mode coupling, and then transforming between coordinate sets analytically. The optimal balance between accuracy and efficiency is achieved by transforming from 3 mode representation quartic force fields in curvilinear normal mode coordinates to 4 mode representation sextic force fields in rectilinear normal modes. Using this reduced mode-representation strategy introduces an error of only 1 cm(-1) in fundamental frequencies, on average, across a sizable test set of molecules. We demonstrate that if it is feasible to generate an initial semi-quartic force field in curvilinear normal mode coordinates from ab initio data, then the subsequent coordinate transformation procedure will be relatively fast with modest memory demands. This procedure facilitates solving the nuclear vibrational problem, as all required integrals can be evaluated analytically. Our coordinate transformation code is implemented within the extensible PyPES library program package, at http://sourceforge.net/projects/pypes-lib-ext/.

  9. An efficient and numerically stable procedure for generating sextic force fields in normal mode coordinates.

    Science.gov (United States)

    Sibaev, M; Crittenden, D L

    2016-06-01

    In this paper, we outline a general, scalable, and black-box approach for calculating high-order strongly coupled force fields in rectilinear normal mode coordinates, based upon constructing low order expansions in curvilinear coordinates with naturally limited mode-mode coupling, and then transforming between coordinate sets analytically. The optimal balance between accuracy and efficiency is achieved by transforming from 3 mode representation quartic force fields in curvilinear normal mode coordinates to 4 mode representation sextic force fields in rectilinear normal modes. Using this reduced mode-representation strategy introduces an error of only 1 cm(-1) in fundamental frequencies, on average, across a sizable test set of molecules. We demonstrate that if it is feasible to generate an initial semi-quartic force field in curvilinear normal mode coordinates from ab initio data, then the subsequent coordinate transformation procedure will be relatively fast with modest memory demands. This procedure facilitates solving the nuclear vibrational problem, as all required integrals can be evaluated analytically. Our coordinate transformation code is implemented within the extensible PyPES library program package, at http://sourceforge.net/projects/pypes-lib-ext/. PMID:27276945

  10. Complex Normal-mode Frequencies of External Perturbations in Generalized Schwarzschild Geometry

    Institute of Scientific and Technical Information of China (English)

    YUAN Ning-Yi; LI Xin-Zhou

    2000-01-01

    A moditied Wentzel-Kramers-Brillouin approach is used to determine the complex normal-mode frequencies of external perturbations in generalized Schwarzschild geometry. In the λ= 1 case (Schwarzschild geometry), the agreement with other methods is excellent for the low-lying modes. On the contrary, the λ ≠ 1 case of this geometry is unstable against external perturbations

  11. Measurement of nonlinear normal modes using multi-harmonic stepped force appropriation and free decay

    Science.gov (United States)

    Ehrhardt, David A.; Allen, Matthew S.

    2016-08-01

    Nonlinear Normal Modes (NNMs) offer tremendous insight into the dynamic behavior of a nonlinear system, extending many concepts that are familiar in linear modal analysis. Hence there is interest in developing methods to experimentally and numerically determine a system's NNMs for model updating or simply to characterize its dynamic response. Previous experimental work has shown that a mono-harmonic excitation can be used to isolate a system's dynamic response in the neighborhood of a NNM along the main backbones of a system. This work shows that a multi-harmonic excitation is needed to isolate a NNM when well separated linear modes of a structure couple to produce an internal resonance. It is shown that one can tune the multiple harmonics of the input excitation using a plot of the input force versus the response velocity until the area enclosed by the force-velocity curve is minimized. Once an appropriated NNM is measured, one can increase the force level and retune the frequency to obtain a NNM at a higher amplitude or remove the excitation and measure the structure's decay down a NNM backbone. This work explores both methods using simulations and measurements of a nominally-flat clamped-clamped beam excited at a single point with a magnetic force. Numerical simulations are used to validate the method in a well defined environment and to provide comparison with the experimentally measured NNMs. The experimental results seem to produce a good estimate of two NNMs along their backbone and part of an internal resonance branch. Full-field measurements are then used to further explore the couplings between the underlying linear modes along the identified NNMs.

  12. Rossby normal modes in nonuniform background configurations. I Simple fields. II - Equinox and solstice conditions

    Science.gov (United States)

    Salby, M. L.

    1981-01-01

    An investigation is conducted regarding the influence of mean field variations on the realization of planetary normal modes, taking into account the mode response and structure in the presence of simple background nonuniformities. It is found that mean field variations have the combined effect of depressing, shifting, and broadening the characteristic response of Rossby normal modes. While nonuniformities in both the mean wind and temperature fields contribute to the reduction in peak response, the former are primarily responsible for translation and spectral broadening. An investigation is conducted to determine which modes may be realized in actual atmospheric configurations and which may be identified. For both the equinox and solstice configurations, response peaks corresponding to all of the first four modes of wavenumbers 1, 2, and 3 are readily visible above the noise.

  13. Normal mode acoustic intensity flux in Pekeris waveguide and its cross spectra signal processing

    Institute of Scientific and Technical Information of China (English)

    HUI Junying; SUN Guocang; ZHAO Anbang

    2009-01-01

    The layered media normal mode theory has been well established in the middle of the last century, but few attentions have been paid to the particle velocity field. The combined descriptions of the pressure field and particle velocity field in Pekeris waveguide, especially the vertical acoustic intensity flux are proposed in this paper. The result of the study shows that both the horizontal and the vertical acoustic intensity flux have active and reactive component because of the interference between the normal modes. When an acoustic vector sensor is placed appropriately, the reactive component of the vertical acoustic intensity flux in low frequency acoustic field can be used to tell the source's specified depth, although it can't transport energy.Then the reactive component of the vertical acoustic intensity flux is of importance for vector signal processing. The pressure and particle velocity cross spectra signal processing algorithm is proposed to distinguish the targets.

  14. Nonlinear Normal Modes of a Rotating Shaft Based on the Invariant Manifold Method

    OpenAIRE

    Mathias Legrand; Dongying Jiang; Christophe Pierre; Shaw, Steven W.

    2002-01-01

    International audience The nonlinear normal mode methodology is generalized to the study of a rotating shaft supported by two short journal bearings. For rotating shafts, nonlinearities are generated by forces arising from the supporting hydraulic bearings. In this study, the rotating shaft is represented by a linear beam, while a simplified bearing model is employed so that the nonlinear supporting forces can be expressed analytically. The equations of motion of the coupled shaft-bearings...

  15. Optimization of hardening/softening behavior of plane frame structures using nonlinear normal modes

    DEFF Research Database (Denmark)

    Dou, Suguang; Jensen, Jakob Søndergaard

    2016-01-01

    Devices that exploit essential nonlinear behavior such as hardening/softening and inter-modal coupling effects are increasingly used in engineering and fundamental studies. Based on nonlinear normal modes, we present a gradient-based structural optimization method for tailoring the hardening...... involving plane frame structures where the hardening/softening behavior is qualitatively and quantitatively tuned by simple changes in the geometry of the structures....

  16. Beam Steering of Electrically Segmented Piezo-Ceramic Ultrasonic Transducers Using Normal Mode Coupling

    OpenAIRE

    Eslambolchi, Hossein

    1984-01-01

    It is well known that normal mode coupling in large diameter piezoelectric plates causes serious difficulties when attempting to operate over wide frequency bands. As a consequence transducers are commonly constructed as a mosaic of elemental resonators, each of which has a predominant single mode of mechanical oscillation at the frequency of interest. Such transducer arrays may be electrically steered to angles other than normal by applying different phases of driving voltages to different e...

  17. Vertical normal modes of human ears: Individual variation and frequency estimation from pinna anthropometry.

    Science.gov (United States)

    Mokhtari, Parham; Takemoto, Hironori; Nishimura, Ryouichi; Kato, Hiroaki

    2016-08-01

    Beyond the first peak of head-related transfer functions or pinna-related transfer functions (PRTFs) human pinnae are known to have two normal modes with "vertical" resonance patterns, involving two or three pressure anti-nodes in cavum, cymba, and fossa. However, little is known about individual variations in these modes, and there is no established model for estimating their center-frequencies from anthropometry. Here, with geometries of 38 pinnae measured, PRTFs were calculated and vertical modes visualized by numerical simulation. Most pinnae were found to have both Cavum-Fossa and Cavum-Cymba modes, with opposite-phase anti-nodes in cavum and either fossa or cymba, respectively. Nevertheless in both modes, fossa involvement varied substantially across pinnae, dependent on scaphoid fossa depth and cymba shallowness. Linear regression models were evaluated in mode frequency estimation, with 3322 measures derived from 31 pinna landmarks. The Cavum-Fossa normal mode frequency was best estimated [correlation coefficient r = 0.89, mean absolute error (MAE) = 257 Hz or 4.4%] by the distance from canal entrance to helix rim, and cymba horizontal depth. The Cavum-Cymba normal mode frequency was best estimated (r = 0.92, MAE = 247 Hz or 3.2%) by the sagittal-plane distance from concha floor to cymba anterior wall, and cavum horizontal depth. PMID:27586714

  18. Finite-Time Normal Mode Disturbances and Error Growth During Southern Hemisphere Blocking

    Institute of Scientific and Technical Information of China (English)

    Mozheng WEI; Jorgen S. FREDERIKSEN

    2005-01-01

    The structural organization of initially random errors evolving in a barotropic tangent linear model, with time-dependent basic states taken from analyses, is examined for cases of block development, maturation and decay in the Southern Hemisphere atmosphere during April, November, and December 1989. The statistics of 100 evolved errors are studied for six-day periods and compared with the growth and structures of fast growing normal modes and finite-time normal modes (FTNMs). The amplification factors of most initially random errors are slightly less than those of the fastest growing FTNM for the same time interval.During their evolution, the standard deviations of the error fields become concentrated in the regions of rapid dynamical development, particularly associated with developing and decaying blocks. We have calculated probability distributions and the mean and standard deviations of pattern correlations between each of the 100 evolved error fields and the five fastest growing FTNMs for the same time interval. The mean of the largest pattern correlation, taken over the five fastest growing FTNMs, increases with increasing time interval to a value close to 0.6 or larger after six days. FTNM 1 generally, but not always, gives the largest mean pattern correlation with error fields. Corresponding pattern correlations with the fast growing normal modes of the instantaneous basic state flow are significant but lower than with FTNMs.Mean pattern correlations with fast growing FTNMs increase further when the time interval is increased beyond six days.

  19. Normal modes of oscillation of the Asinelli and Garisenda towers in Bologna (Italy)

    Science.gov (United States)

    Morelli, A.; Azzara, R. M.; Cavaliere, A.; Zaccarelli, L.

    2013-12-01

    The Asinelli and Garisenda medieval towers represent the best-know city landmark in Bologna. Asinelli is also known to physics historians for early experiments on free fall of bodies for the first measurements of g (Giovanni Battista Riccioli, ca. 1650) and proof of Earth rotation (Giovanni Battista Guglielmini, 1791). The Two Towers (as they are commonly known) are essentially tall, square cross-section hollow masonry cuboids. Taller Asinelli, built between 1109 and 1119, is 97 m high, with an overhang of 2.2 m, while more seriously leaning Garisenda has an overhang of 3.2 m with a heigth of 48 m. During the summer of 2012 -- in the aftermath of two M≈6 earthquakes occurred in the proximity of the city -- the permanent engineering monitoring system of the towers has been temporarily supplemented by 6 seismometric stations installed at different levels inside the masonry buildings, to study their dynamical response to induced vibrations. We have thus been able to observe and measure the oscillation of the two towers excited by ambient noise, mostly due to city traffic. The two towers show similar behaviour, more clear in taller Asinelli. The first three flexural normal modes of oscillation, and the first torsional mode, can easily be detected. Their frequencies are split because of the asymmetry due to leaning of the tower. This asymmetry produces slightly different frequencies of oscillation in two orthogonal directions, quite consistent with preliminary dynamical modeling. Horizontal particle-motion polarization plots clearly show the cyclic energy transfer between these two degrees of freedom of the system. Oscillations of taller Asinelli influence its close sister, such that the Asinelli spectral signature can also be easily recognized in the motion recorded at the base of Garisenda, overimposed over Garisenda own free oscillations. Horizontal component polarization analysis done simultaneously at the two ground-level stations often point to a nearby common

  20. Hawking Radiation-Quasi-Normal Modes Correspondence and Effective States for Nonextremal Reissner-Nordström Black Holes

    International Nuclear Information System (INIS)

    It is known that the nonstrictly thermal character of the Hawking radiation spectrum harmonizes Hawking radiation with black hole (BH) quasi-normal modes (QNM). This paramount issue has been recently analyzed in the framework of both Schwarzschild BHs (SBH) and Kerr BHs (KBH). In this assignment, we generalize the analysis to the framework of nonextremal Reissner-Nordström BHs (RNBH). Such a generalization is important because in both Schwarzschild and Kerr BHs an absorbed (emitted) particle has only mass. Instead, in RNBH the particle has charge as well as mass. In doing so, we expose that, for the RNBH, QNMs can be naturally interpreted in terms of quantum levels for both particle emission and absorption. Conjointly, we generalize some concepts concerning the RNBH's “effective states.”

  1. Normal mode calculation for triple helical DNA, stability and hydration effects

    Science.gov (United States)

    Dadarlat, Voichita Maria

    The effective field model for the dynamics of the triple helix d(T)n - d(A)n - d(T)n DNA polymer in solution has been applied to determine the vibrational normal modes of the system for both A and B conformation. The effect of site-bound counterions as compared to the area-bound counterions has been considered specifically by explicitly introducing degrees of freedom for the three counterions associated with a unit cell and coupling these to the DNA degrees of freedom via appropriate interactions. Stability of the system for all vibrational modes (positive eigenvalues for the solution of the dynamics problem) was used as a criterion to find possible equilibrium positions of the site-bound counterions in specific conditions of weak covalent bonding between the counterions and the phosphate free oxygens and distance dependent dielectric constants. Normal mode calculation for the A conformation shows that this type of triple helix is not stable in aqueous solutions unless the counterions are site-bound in certain positions close to the phosphate groups. The equilibrium domains for the positions of the counterions in both conformations have been determined. Free energy calculations for the two triple helices show that the B conformation is more stable than the A conformation. Our calculated normal modes match reasonably well with the experimental IR spectra. The effect of adding structural waters to the triplex DNA in the B conformation have been studied. The results clearly show that there is an inverse proportional relationship between the degree of boundness of the water molecules to the atoms in the triple helix and the relative humidity (RH) of the samples.

  2. Oscillatory reaction cross sections caused by normal mode sampling in quasiclassical trajectory calculations

    Energy Technology Data Exchange (ETDEWEB)

    Nagy, Tibor; Vikár, Anna; Lendvay, György, E-mail: lendvay.gyorgy@ttk.mta.hu [Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar tudósok körútja 2., H-1117 Budapest (Hungary)

    2016-01-07

    The quasiclassical trajectory (QCT) method is an efficient and important tool for studying the dynamics of bimolecular reactions. In this method, the motion of the atoms is simulated classically, and the only quantum effect considered is that the initial vibrational states of reactant molecules are semiclassically quantized. A sensible expectation is that the initial ensemble of classical molecular states generated this way should be stationary, similarly to the quantum state it is supposed to represent. The most widely used method for sampling the vibrational phase space of polyatomic molecules is based on the normal mode approximation. In the present work, it is demonstrated that normal mode sampling provides a nonstationary ensemble even for a simple molecule like methane, because real potential energy surfaces are anharmonic in the reactant domain. The consequences were investigated for reaction CH{sub 4} + H → CH{sub 3} + H{sub 2} and its various isotopologs and were found to be dramatic. Reaction probabilities and cross sections obtained from QCT calculations oscillate periodically as a function of the initial distance of the colliding partners and the excitation functions are erratic. The reason is that in the nonstationary ensemble of initial states, the mean bond length of the breaking C–H bond oscillates in time with the frequency of the symmetric stretch mode. We propose a simple method, one-period averaging, in which reactivity parameters are calculated by averaging over an entire period of the mean C–H bond length oscillation, which removes the observed artifacts and provides the physically most reasonable reaction probabilities and cross sections when the initial conditions for QCT calculations are generated by normal mode sampling.

  3. Pump induced normal mode splittings in phase conjugation in a Kerr nonlinear waveguide

    Indian Academy of Sciences (India)

    S Dutta Gupta

    2000-03-01

    Phase conjugation in a Kerr nonlinear waveguide is studied with counter-propagating normally incident pumps and a probe beam at an arbitrary angle of incidence. Detailed numerical results for the specular and phase conjugated reflectivities are obtained with full account of pump depletion. For sufficient strengths of the pump a normal mode splitting is demonstrated in both the specular and the phase conjugated reflectivities of the probe wave. The splitting is explained in terms of a simple model under undepleted pump approximation.

  4. Quasi-normal mode approach to the local-field problem in quantum optics

    OpenAIRE

    Ge, Rong-Chun; Young, Jeff F.; Hughes, S

    2015-01-01

    The local-field (LF) problem of a finite-size dipole emit- ter radiating inside a lossy inhomogeneous structure is a long-standing and challenging quantum optical problem, and it now is becoming more important due to rapid advances in solid-state fabrication technologies. Here we introduce a simple and accurate quasi-normal mode (QNM) technique to solve this problem analyti- cally by separating the scattering problem into contribu- tions from the QNM and an image dipole. Using a real- cavity ...

  5. DNA-triplex conformation from normal mode and hydrogen bond stability calculations.

    Science.gov (United States)

    Chen, Y. Z.; Prohofsky, E. W.; Powell, J. W.; White, A. P.

    1996-03-01

    Triple-stranded DNAs are of potential applications in genome mapping and in the treatment of genetic disorders with little side-effect. Despite significant interests, structural information of DNA triplexes is limited and sometimes conflicting. For instance, two structural models with different conformation have been proposed for a DNA-triplex Poly(dA)\\cdot2Poly(dT). We propose that the sensitivity of normal modes and hydrogen-bond stability on conformation can be used to determine the structure of biomolecules difficult to access by other methods. The structural model representative of the true conformation should have normal modes in agreement with observations, and have most stable hydrogen bonds which melt at observed temperatures. We carried out calculations on the two models of Poly(dA)\\cdot2Poly(dT) and found that one model is consistent with observations at high humidity and thus most likely a good approximation to the true conformation in that environment. Our method has potential application in structural prediction for other biomolecules.

  6. Iron normal mode dynamics in (nitrosyl)iron(II)tetraphenylporphyrin from X-ray nuclear resonance data.

    OpenAIRE

    Rai, Brajesh K; Durbin, Stephen M.; Prohofsky, Earl W.; Sage, J. Timothy; Wyllie, Graeme R. A.; Scheidt, W. Robert; Sturhahn, Wolfgang; Alp, E. Ercan

    2002-01-01

    The complete iron atom vibrational spectrum has been obtained by refinement of normal mode calculations to nuclear inelastic x-ray absorption data from (nitrosyl)iron(II)tetraphenylporphyrin, FeTPP(NO), a useful model for heme dynamics in myoglobin and other heme proteins. Nuclear resonance vibrational spectroscopy (NRVS) provides a direct measurement of the frequency and iron amplitude for all normal modes involving significant displacement of (57)Fe. The NRVS measurements on isotopically en...

  7. Quasi-normal modes of Schwarzschild-de Sitter black holes

    CERN Document Server

    Zhidenko, A

    2004-01-01

    The low-laying frequencies of characteristic quasi-normal modes (QNM) of Schwarzschild-de Sitter (SdS) black holes have been calculated for fields of different spin using the 6th-order WKB approximation and the approximation by the P"{o}shl-Teller potential. The well-known asymptotic formula for large $l$ is generalized here on a case of the Schwarzchild-de Sitter black hole. In the limit of the near extreme $L$ term the results given by both methods are in a very good agreement, and in this limit fields of different spin decay with the same rate. In addition, the fact that the spectrum of massless Dirac quasi-normal frequencies is the same for opposite chyrality has been numerically proved for SdS background.

  8. A coupling model for quasi-normal modes of photonic resonators

    CERN Document Server

    Vial, Benjamin

    2016-01-01

    We develop a model for the coupling of quasi-normal modes in open photonic systems consisting of two resonators. By expressing the modes of the coupled system as a linear combination of the modes of the individual particles, we obtain a generalized eigenvalue problem involving small size dense matrices. We apply this technique to a 2D problem of a high index rod dimmer of rectangular cross section for Transverse Electric (TE) polarization. The results of our model are compared with full-wave finite element simulations and show a good agreement for the four lowest eigenvalues by taking into account the two lowest eigenfrequencies of the isolated rods. This model provides interesting physical insights on the coupling scheme at stake in such systems and pave the way for the design and optimization of resonances in more complicated systems, including the engineering of metamaterial unit cells.

  9. 随机浅海声传播简正波起伏%Normal mode fluctuation of sound propagating in random shallow water

    Institute of Scientific and Technical Information of China (English)

    彭临慧; 王桂波

    2006-01-01

    Research of fluctuation of sound propagation in a random shallow water environment is of great interest in predicting sound field and environmental parameters for random ocean investigation and monitoring. This paper studies the normal mode fluctuation of sound propagation in random shallow water. Monte Carlo simulation is used to analyze the sound field fluctuation induced by sound speeds random fluctuation with Dozier's statistical coupled mode equations in a random ocean. The random sound speed model is derived based on the statistic analysis of a temperature chain data in shallow sea. The results show that the amplitude fluctuation of normal mode induced by sound speed random fluctuation is larger than the amplitude fluctuation of sound pressure. If the source position is close to the sensitive depth of a normal mode, the scintillation index of this normal mode would be 2~3 order of magnitude larger than the variance of normal mode amplitude fluctuation. As such, the scintillation index of normal mode is an important parameter for detecting sound propagating fluctuation. This article reveals that variance of the sound pressure fluctuation is linear against distance, variance of normal mode amplitude fluctuation, and modal scintillation index.%随机浅海环境中声传播起伏的研究,对于随机海洋环境声场预报及海洋环境参数反演和遥测都有十分重要的意义.文中对随机浅海中声传播的简正波起伏进行了研究,利用L.B.Dozier统计耦合模式方程,通过Monte Carlo数值模拟分析声速场随机变化所产生的声场起伏规律.随机声速场模型由海上温度链测量数据统计规律分析得到.结果表明,声速场随机起伏所导致的简正波幅度起伏远高于声压的起伏;当声源处在某一阶简正波的敏感深度位置时,该阶简正波的闪烁系数会比简正波幅度起伏方差高2~3个量级;在所分析随机声速场模型下,声压起伏方差、简正波幅度起伏

  10. Coordenadas cartesianas moleculares a partir da geometria dos modos normais de vibração Molecular cartesian coordinates from vibrational normal modes geometry

    Directory of Open Access Journals (Sweden)

    Emílio Borges

    2007-04-01

    Full Text Available A simple method to obtain molecular Cartesian coordinates as a function of vibrational normal modes is presented in this work. The method does not require the definition of special matrices, like the F and G of Wilson, neither of group theory. The Eckart's conditions together with the diagonalization of kinetic and potential energy are the only required expressions. This makes the present approach appropriate to be used as a preliminary study for more advanced concepts concerning vibrational analysis. Examples are given for diatomic and triatomic molecules.

  11. Exact quasi-normal modes for the near horizon Kerr metric

    CERN Document Server

    Cvetic, M

    2013-01-01

    We study the quasi-normal modes of a massless scalar field in a general sub-extreme Kerr back- ground by exploiting the hidden SL(2, R) x SL(2, R) x SO(3) symmetry of the subtracted geometry approximation. This faithfully models the near horizon geometry but locates the black hole in a confining asymptotically conical box analogous to the anti-de-Sitter backgrounds used in string the- ory. There are just two series of modes, given in terms of hypergeometric functions and spherical harmonics, reminiscent of the left-moving and right-moving degrees in string theory: one is over- damped, the other is underdamped and exhibits rotational splitting. The remarkably simple exact formulae for the complex frequencies would in principle allow the determination of the mass and angular momentum from observations of a black hole. No black hole bomb is possible because the Killing field which co-rotates with the horizon is everywhere timelike outside the black hole.

  12. Normal mode Rossby waves and their effects on chemical composition in the late summer stratosphere

    Directory of Open Access Journals (Sweden)

    D. Pendlebury

    2007-08-01

    Full Text Available During past MANTRA campaigns, ground-based measurements of several long-lived chemical species have revealed quasi-periodic fluctuations on time scales of several days. These fluctuations could confound efforts to detect long-term trends from MANTRA, and need to be understood and accounted for. Using the Canadian Middle Atmosphere Model, we investigate the role of dynamical variability in the late summer stratosphere due to normal mode Rossby waves and the impact of this variability on fluctuations in chemical species. Wavenumber~1, westward travelling waves are considered with average periods of 5, 10 and 16 days. Time-lagged correlations between the temperature and nitrous oxide, methane and ozone fields are calculated in order to assess the possible impact of these waves on the chemical species, although transport may be the dominant effect. Using Fourier-wavelet decomposition and correlating the fluctuations between the temperature and chemical fields, we determine that variations in the chemical species are well-correlated with the 5-day wave and the 10-day wave between 30 and 60 km. Interannual variability of the waves is also examined.

  13. Quasi-normal modes for de Sitter-Reissner-Nordstr\\"om Black Holes

    CERN Document Server

    Iantchenko, Alexei

    2014-01-01

    The quasi-normal modes for black holes are the resonances for the scattering of incoming waves by black holes. Here we consider scattering of massless charged Dirac fields propagating in the outer region of de Sitter-Reissner-Nordstr{\\"o}m Black Holes, which is spherically symmetric charged exact solution of the Einstein-Maxwell equations. Using the spherical symmetry of the equation and restricting to a fixed harmonic the problem is reduced to a scattering problem for the 1D massless Dirac operator on the line. The resonances for the problem are related to the resonances for a certain semi-classical Schr{\\"o}dinger operators with exponentially decreasing positive potentials. The asymptotic distribution of the resonances are close to the lattice of quasi-poles associated to the non-degenerate maxima of the potentials. Using the techniques of semi-classical Birkhoff normal form we give the complete asymptotic formulas for the resonances. In particular, we calculate the first three leading terms in the expansio...

  14. Second Order Quasi-Normal Mode of the Schwarzschild Black Hole

    CERN Document Server

    Nakano, Hiroyuki

    2007-01-01

    We formulate and calculate the second order quasi-normal modes (QNMs) of a Schwarzschild black hole (BH). Gravitational wave (GW) from a distorted BH, so called ringdown, is well understood as QNMs in general relativity. Since QNMs from binary BH mergers will be detected with high signal-to-noise ratio by GW detectors, it is also possible to detect the second perturbative order of QNMs, generated by nonlinear gravitational interaction near the BH. In the BH perturbation approach, we derive the master Zerilli equation for the metric perturbation to second order and explicitly regularize it at the horizon and spatial infinity. We numerically solve the second order Zerilli equation by implementing the modified Leaver's continued fraction method. The second order QNM frequencies are found to be twice the first order ones, and the GW amplitude is up to $\\sim 10%$ that of the first order for the binary BH mergers. Since the second order QNMs always exist, we can use their detections (i) to test the nonlinearity of ...

  15. Theory of the normal modes of vibrations in the lanthanide type crystals

    Energy Technology Data Exchange (ETDEWEB)

    Acevedo, Roberto [Instituto de Ciencias Basicas. Facultad de Ingenieria, Universidad Diego Portales, Avenida Ejercito 441, Santiago (Chile); Soto-Bubert, Andres, E-mail: roberto.acevedo@umayor.cl

    2008-11-01

    For the lanthanide type crystals, a vast and rich, though incomplete amount of experimental data has been accumulated, from linear and non linear optics, during the last decades. The main goal of the current research work is to report a new methodology and strategy to put forward a more representative approach to account for the normal modes of vibrations for a complex N-body system. For illustrative purposes, the chloride lanthanide type crystals Cs{sub 2}NaLnCl{sub 6} have been chosen and we develop new convergence tests as well as a criterion to deal with the details of the F-matrix (potential energy matrix). A novel and useful concept of natural potential energy distributions (NPED) is introduced and examined throughout the course of this work. The diagonal and non diagonal contributions to these NPED-values, are evaluated for a series of these crystals explicitly. Our model is based upon a total of seventy two internal coordinates and ninety eight internal Hooke type force constants. An optimization mathematical procedure is applied with reference to the series of chloride lanthanide crystals and it is shown that the strategy and model adopted is sound from both a chemical and a physical viewpoints. We can argue that the current model is able to accommodate a number of interactions and to provide us with a very useful physical insight. The limitations and advantages of the current model and the most likely sources for improvements are discussed in detail.

  16. Fourier transform infrared spectra and normal mode analysis of drug molecules: Zidovudine

    Science.gov (United States)

    Jain, Nivedita; Prabhakar, Santosh; Singh, R. A.

    2013-03-01

    The FTIR spectra of zidovudine molecule have been recorded in the range 4000-400 cm-1. The title compound is used as a drug against AIDS or HIV. The molecular structure, fundamental vibrational frequencies and intensities of vibrational bands are evaluated using density functional theory (DFT) using BLYP, B3LYP, B3PW91 and MPW1PW91 methods with 6-31+G(d,p) standard basis set. Comparison of simulated spectra with the experimental spectrum provides important informations and the ability of the computational method to describe the vibrational modes. These calculations have allowed finding most stable conformational structure of AZT. Calculated results of the title compound indicate that the drug molecule has syn orientation. The glycosidic bond in AZT and a minimum-energy structure in which the glycosy torsion angle χ and torsion angle γ values are consistent with those in the conformation of AZT in the AZT5-triphosphate bound to HIV RT is determined.

  17. Dynamic elastic moduli in magnetic gels: Normal modes and linear response.

    Science.gov (United States)

    Pessot, Giorgio; Löwen, Hartmut; Menzel, Andreas M

    2016-09-14

    In the perspective of developing smart hybrid materials with customized features, ferrogels and magnetorheological elastomers allow a synergy of elasticity and magnetism. The interplay between elastic and magnetic properties gives rise to a unique reversible control of the material behavior by applying an external magnetic field. Albeit few works have been performed on the time-dependent properties so far, understanding the dynamic behavior is the key to model many practical situations, e.g., applications as vibration absorbers. Here we present a way to calculate the frequency-dependent elastic moduli based on the decomposition of the linear response to an external stress in normal modes. We use a minimal three-dimensional dipole-spring model to theoretically describe the magnetic and elastic interactions on the mesoscopic level. Specifically, the magnetic particles carry permanent magnetic dipole moments and are spatially arranged in a prescribed way, before they are linked by elastic springs. An external magnetic field aligns the magnetic moments. On the one hand, we study regular lattice-like particle arrangements to compare with previous results in the literature. On the other hand, we calculate the dynamic elastic moduli for irregular, more realistic particle distributions. Our approach measures the tunability of the linear dynamic response as a function of the particle arrangement, the system orientation with respect to the external magnetic field, as well as the magnitude of the magnetic interaction between the particles. The strength of the present approach is that it explicitly connects the relaxational modes of the system with the rheological properties as well as with the internal rearrangement of the particles in the sample, providing new insight into the dynamics of these remarkable materials. PMID:27634276

  18. Transverse, normal modes of vibration of a cantilever Timoshenko beam with a mass elastically mounted at the free end

    Science.gov (United States)

    Rossit, C. A.; Laura, P. A. A.

    2001-12-01

    An exact solution for the title problem is obtained by means of the classical eigenfunction approach. The natural frequencies are computed for a wide range of the intervening mechanical and geometric parameters. Normal modes of transverse vibration are plotted for some cases of practical interest. The problem is technically important in several areas of applied science and technology.

  19. Free and forced Rossby normal modes in a rectangular gulf of arbitrary orientation

    Science.gov (United States)

    Graef, Federico

    2016-09-01

    A free Rossby normal mode in a rectangular gulf of arbitrary orientation is constructed by considering the reflection of a Rossby mode in a channel at the head of the gulf. Therefore, it is the superposition of four Rossby waves in an otherwise unbounded ocean with the same frequency and wavenumbers perpendicular to the gulf axis whose difference is equal to 2mπ/W, where m is a positive integer and W the gulf's width. The lower (or higher) modes with small m (or large m) are oscillatory (evanescent) in the coordinate along the gulf; these are elucidated geometrically. However for oceanographically realistic parameter values, most of the modes are evanescent. When the gulf is forced at the mouth with a single Fourier component, the response is in general an infinite sum of modes that are needed to match the value of the streamfunction at the gulf's entrance. The dominant mode of the response is the resonant one, which corresponds to forcing with a frequency ω and wavenumber normal to the gulf axis η appropriate to a gulf mode: η =- β sin α/(2ω) ± Mπ/W, where α is the angle between the gulf's axis and the eastern direction (+ve clockwise) and M the resonant's mode number. For zonal gulfs ω drops out of the resonance condition. For the special cases η = 0 in which the free surface goes up and down at the mouth with no flow through it, or a flow with a sinusoidal profile, resonant modes can get excited for very specific frequencies (only for non-zonal gulfs in the η = 0 case). The resonant mode is around the annual frequency for a wide range of gulf orientations α ∈ [40°, 130°] or α ∈ [220°, 310°] and gulf widths between 150 and 200 km; these include the Gulf of California and the Adriatic Sea. If η is imaginary, i.e. a flow with an exponential profile, there is no resonance. In general less modes get excited if the gulf is zonally oriented.

  20. Degree Thesis on the E.M. Field at Optical Frequencies in the Unidimensinal Photonic Crystals by "Quasi-Normal-Modes" Theory

    CERN Document Server

    Settimi, Alessandro

    2010-01-01

    In this thesis, the behavior of the electromagnetic field is studied, at optical frequencies, in the one-dimensional photonic crystals, using the theory of "Quasi-Normal Modes (QNM). The following thesis is inspired by the QNM theory, recently developed for homogeneous cavity open just on one side. It is stressed that any 1DPBG is an open cavity on both sides which allows the confinement of the e.m. field, but that causes radiation losses; the em field initially present within it, on the passing of time, can only propagate outwards. In general, the 1D-PBG is not a conservative system and the natural evolution of the e.m. field can not be described by a Hermitian operator: in short, a discussion in terms of normal modes of the field radiation is abandoned. The method of QNM uses, as tools of analysis, the Green's function and biorthogonal spaces. The 1D-PBG is studied in a more realistic way : a finite structure, immersed in an unlimited space. The renunciation of energy conservation for the system under consi...

  1. Joint inversion of normal-mode and finite-frequency S-wave data using an irregular tomographic grid

    Science.gov (United States)

    Zaroli, Christophe; Lambotte, Sophie; Lévêque, Jean-Jacques

    2015-12-01

    Global-scale tomographic models should aim at satisfying the full seismic spectrum. For this purpose, and to better constrain isotropic 3-D variations of shear velocities in the mantle, we tackle a joint inversion of spheroidal normal-mode structure coefficients and multiple-frequency S-wave delay times. In all previous studies for which normal modes were jointly inverted for, with body and/or surface waves, the mantle was laterally parametrized with uniform basis functions, such as spherical harmonics, equal-area blocks and evenly spaced spherical splines. In particular, spherical harmonics naturally appear when considering the Earth's free oscillations. However, progress towards higher resolution joint tomography requires a movement away from such uniform parametrization to overcome its computational inefficiency to adapt to local variations in resolution. The main goal of this study is to include normal modes into a joint inversion based upon a non-uniform parametrization that is adapted to the spatially varying smallest resolving length of the data. Thus, we perform the first joint inversion of normal-mode and body-wave data using an irregular tomographic grid, optimized according to ray density. We show how to compute the projection of 3-D sensitivity kernels for both data sets onto our parametrization made up of spherical layers spanned with irregular Delaunay triangulations. This approach, computationally efficient, allows us to map into the joint model multiscale structural informations from data including periods in the 10-51 s range for body waves and 332-2134 s for normal modes. Tomographic results are focused on the 400-2110 km depth range, where our data coverage is the most relevant. We discuss the potential of a better resolution where the grid is fine, compared to spherical harmonics up to degree 40, as the number of model parameters is similar. Our joint model seems to contain coherent structural components beyond degree 40, such as those related

  2. The Coupled Spectral Element/Normal Mode Method: Application to the Testing of Several Approximations Based on Normal Mode Theory for the Computation of Seismograms in a Realistic 3D Earth.

    Science.gov (United States)

    Capdeville, Y.; Gung, Y.; Romanowicz, B.

    2002-12-01

    The spectral element method (SEM) has recently been adapted successfully for global spherical earth wave propagation applications. Its advantage is that it provides a way to compute exact seismograms in a 3D earth, without restrictions on the size or wavelength of lateral heterogeneity at any depth, and can handle diffraction and other interactions with major structural boundaries. Its disadvantage is that it is computationally heavy. In order to partly address this drawback, a coupled SEM/normal mode method was developed (Capdeville et al., 2000). This enables us to more efficiently compute bodywave seismograms to realistically short periods (10s or less). In particular, the coupled SEM/normal mode method is a powerful tool to test the validity of some analytical approximations that are currently used in global waveform tomography, and that are considerably faster computationally. Here, we focus on several approximations based on normal mode perturbation theory: the classical "path-average approximation" (PAVA) introduced by Woodhouse and Dziewonski (1984) and well suited for fundamental mode surface waves (1D sensitivity kernels); the non-linear asymptotic coupling theory (NACT), which introduces coupling between mode branches and 2D kernels in the vertical plane containing the source and the receiver (Li and Tanimoto, 1993; Li and Romanowicz, 1995); an extension of NACT which includes out of plane focusing terms computed asymptotically (e.g. Romanowicz, 1987) and introduces 3D kernels; we also consider first order perturbation theory without asymptotic approximations, such as developed for example by Dahlen et al. (2000). We present the results of comparisons of realistic seismograms for different models of heterogeneity, varying the strength and sharpness of the heterogeneity and its location in depth in the mantle. We discuss the consequences of different levels of approximations on our ability to resolve 3D heterogeneity in the earth's mantle.

  3. A unified normal mode approach to dynamic tides and its application to rotating Sun-like stars

    CERN Document Server

    Ivanov, P B; Chernov, S V

    2013-01-01

    We determine the response of a uniformly rotating star to tidal perturbations due to a companion. General periodic orbits and parabolic flybys are considered. We evaluate energy and angular momentum exchange rates as a sum of contributions from normal modes allowing for dissipative processes. We consider the case when the response is dominated by the contribution of an identifiable regular spectrum of low frequency modes, such as gravity modes and evaluate it in the limit of very weak dissipation. Our formalism may be applied both to Sun-like stars with radiative cores and convective envelopes and to more massive stars with convective cores and radiative envelopes. We provide general expressions for transfer of energy and angular momentum valid for an orbit with any eccentricity. Detailed calculations are made for Sun-like stars in the slow rotation regime where centrifugal distortion is neglected in the equilibrium and the traditional approximation is made for the normal modes. We use both a WKBJ procedure a...

  4. Waveform Modeling of 3D Structure of D" Region Using A Coupled SEM/Normal Mode Approach

    Science.gov (United States)

    To, A.; Gung, Y.; Capadeville, Y.; Romanowicz, B.

    2003-12-01

    The presence of strong lateral heterogeneity in D" is now well documented and presents challenges for seismic modeling. The main challenges are the limited global sampling of D" and the theoretical limits of validity of the present modeling tools, such as standard ray theory and mode approaches. We use coupled normal mode/Spectral Element Method (SEM) to compute synthetic seismograms of Sdiff in the D" part of a tomographic model(SAW24b16, Mégnin and Romanowicz, 2000) down to corner frequency 1/12s. SEM allows to take into account strong heterogeneity in a rigorous manner. The coupled method is much faster than standard SEM, when the numerical part of the computation is restricted to the D" region. In the rest of the mantle, the wave field is computed using efficient normal mode summation. As a first step, we consider a radially symmetric model outside of the D" region, and compare Sdiff synthetics with observed waveforms for a collection of deep earthquakes, for which the effect of strong heterogeneity in the crust and upper mantle is avoided. Observed and synthetic travel time trends are very consistent and in many cases the observed residuals are significantly larger. This indicates that the tomographic model only represents the smooth features of the real structure. Observed waveform amplitudes and SEM synthetics are somewhat less consistent. We compare the predictions for 800 Sdiff phases using SEM with those obtained by more approximate methods : ray theory and NACT (Non-linear asymptotic coupling theory, a normal mode perturbation approach). We discuss systematic trends in the travel times predicted by the different methods, compared to observations. Starting with the tomographic model, and correcting for mantle structure outside of D" using approximate NACT predictions, we next invert for perturbations to the tomographic model, using the coupled SEM/mode computation for the forward part of the modeling, in several regions of D" under the Pacific, which are

  5. Depth classification of underwater targets based on complex acoustic intensity of normal modes

    Science.gov (United States)

    Yang, Guang; Yin, Jingwei; Yu, Yun; Shi, Zhenhua

    2016-04-01

    In order to solve the problem of depth classification of the underwater target in a very low frequency acoustic field, the active component of cross spectra of particle pressure and horizontal velocity (ACCSPPHV) is adopted to distinguish the surface vessel and the underwater target. According to the effective depth of a Pekeris waveguide, the placing depth forecasting equations of passive vertical double vector hydrophones are proposed. Numerical examples show that when the sum of depths of two hydrophones is the effective depth, the sign distribution of ACCSPPHV has nothing to do with horizontal distance; in addition, the sum of the first critical surface and the second critical surface is equal to the effective depth. By setting the first critical surface less than the difference between the effective water depth and the actual water depth, that is, the second critical surface is greater than the actual depth, the three positive and negative regions of the whole ocean volume are equivalent to two positive and negative regions and therefore the depth classification of the underwater target is obtained. Besides, when the 20 m water depth is taken as the first critical surface in the simulation of underwater targets (40 Hz, 50 Hz, and 60 Hz respectively), the effectiveness of the algorithm and the correctness of relevant conclusions are verified, and the analysis of the corresponding forecasting performance is conducted.

  6. Initiating the effective unification of black hole horizon area and entropy quantization with quasi-normal modes

    CERN Document Server

    Corda, C; Katebi, R; Schmidt, N O

    2014-01-01

    Black hole (BH) quantization may be the key to unlocking a unifying theory of quantum gravity (QG). Surmounting evidence in the field of BH research continues to support a horizon (surface) area with a discrete and uniformly spaced spectrum, but there is still no general agreement on the level spacing. In this specialized and important BH case study, our objective is to report and examine the pertinent groundbreaking work of the strictly thermal and non-strictly thermal spectrum level spacing of the BH horizon area quantization with included entropy calculations, which aims to tackle this gigantic problem. In particular, this work exemplifies a series of imperative corrections that eventually permits a BH's horizon area spectrum to be generalized from strictly thermal to non-strictly thermal with entropy results, thereby capturing multiple preceding developments by launching an effective unification between them. Moreover, the identified results are significant because quasi-normal modes (QNM) and "effective ...

  7. Semianalytical quasi-normal mode theory for the local density of states in coupled photonic crystal cavity-waveguide structures.

    Science.gov (United States)

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper; Gregersen, Niels

    2015-12-15

    We present and validate a semianalytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities, a nontrivial spectrum with a peak and a dip is found, which is reproduced only when including both the two relevant QNMs in the theory. In both cases, we find relative errors below 1% in the bandwidth of interest.

  8. Optomechanical coupling between two optical cavities: cooling of a micro-mirror and parametric normal mode splitting

    CERN Document Server

    Kumar, Tarun; ManMohan,

    2011-01-01

    We propose a technique aimed at cooling a harmonically oscillating mirror mechanically coupled to another vibrating mirror to its quantum mechanical ground state. Our method involves optmechanical coupling between two optical cavities. We show that the cooling can be controlled by the mechanical coupling strength between the two movable mirrors, the phase difference between the mechanical modes of the two oscillating mirrors and the photon number in each cavity. We also show that both mechanical and optical cooling can be achieved by transferring energy from one cavity to the other. We also analyze the occurrence of normal-mode splitting (NMS). We find that a hybridization of the two oscillating mirrors with the fluctuations of the two driving optical fields occurs and leads to a splitting of the mechanical and optical fluctuation spectra.

  9. Simple illustrations of range-dependence and 3-D effects by normal-mode sound propagation modelling

    CERN Document Server

    Ivansson, Sven

    2016-01-01

    As is well known, the sound-speed profile has significant effects on underwater acoustic sound propagation. These effects can be quantified by normal-mode models, for example. The basic case is a laterally homogeneous medium, for which the sound speed and the density depend on depth only and not on horizontal position. Effects of horizontal medium-parameter variation can be quantified by coupled-mode models, with coupling between mode expansions for laterally homogeneous parts of the medium. In the present paper, these effects are illustrated for media with a particularly simple horizontal parameter variation such that mode shapes do not vary with horizontal position. The modal wavenumbers depend on horizontal position, however. At a vertical interface between regions with laterally homogeneous medium parameters, each mode is reflected as well as transmitted. For the media considered, reflection and transmission coefficients can be computed separately for each mode without mode coupling, and this is done recu...

  10. On the computation of long period seismograms in a 3-D earth using normal mode based approximations

    Science.gov (United States)

    Romanowicz, Barbara A.; Panning, Mark P.; Gung, Yuancheng; Capdeville, Yann

    2008-11-01

    Tomographic inversions for large-scale structure of the earth's mantle involve a forward modelling step of wave propagation through 3-D heterogeneity. Until now, most investigators have worked in the framework of the simplest theoretical assumptions, namely the infinite frequency `ray theory' in the case of body wave traveltime inversions, or the `path-average' approximation (PAVA) to normal mode perturbation theory, in the case of surface waves and long-period waveforms. As interest is shifting to mapping shorter wavelength structures, the need for a more accurate theoretical account of the interaction of seismic waves with mantle heterogeneity, coupled with improvements in path coverage, has been realized. Here we discuss different levels of approximations used in the context of normal mode perturbation theory, when modelling time domain seismic waveforms. We compare the performance of asymptotic approximations, which collapse the effects of 3-D structure onto the great circle vertical plane: the 1-D PAVA and a 2-D approximation called non-linear asymptotic coupling theory (NACT), which both are zeroth order asymptotic approximations. We then discuss how off-vertical plane effects can be introduced using higher order asymptotics. These computationally efficient approximations are compared to the linear Born formalism (BORN), which computes scattering integrals over the entire surface of the sphere. We point out some limitations of this linear formalism in the case of spatially extended anomalies, and show how that can be remedied through the introduction of a non-linear term (NBORN). All these approximations are referenced to a precise 3-D numerical computation afforded by the spectral element method. We discuss simple geometries, and explore a range of sizes of anomalies compared to the wavelength of the seismic waves considered, thus illustrating the range of validity and limitations of the various approximations considered.

  11. Pressure and velocity cross-spectrum of normal modes in low-frequency acoustic vector field of shallow water and its application

    Institute of Scientific and Technical Information of China (English)

    Yun Yu; Qing Ling,; Jiang Xu

    2015-01-01

    The pressure and horizontal particle velocity combined descriptions in the very low frequency acoustic field of shal ow wa-ter integrated with the concept of effective depth of Pekeris wave-guide is proposed, especial y the active component of the pressure and horizontal particle velocity cross-spectrum, also cal ed ho-rizontal complex cross acoustic intensity, when only two normal modes are trapped in the waveguide. Both the approximate theo-retic analysis and the numerical results show that the sign of the horizontal complex cross acoustic intensity active component is independent of the range when vertical y deployed receiving dual sensors are placed in appropriate depths, the sum of which is equal to the waveguide effective depth, so it can be used to tel whether the sound source is near the surface or underwater;while the range rate is expected to be measured by utilizing the sign distribution characteristic of the reactive component. The further robustness analysis of the depth classification algorithm shows that the existence of shear waves in semi infinite basement and the change of acoustic velocity profiles have few effects on the application of this method, and the seabed attenuation wil limit the detection range, but the algorithm stil has a good robustness in the valid detection range.

  12. Initiating the Effective Unification of Black Hole Horizon Area and Entropy Quantization with Quasi-Normal Modes

    International Nuclear Information System (INIS)

    Black hole (BH) area quantization may be the key to unlocking a unifying theory of quantum gravity (QG). Surmounting evidence in the field of BH research continues to support a horizon (surface) area with a discrete and uniformly spaced spectrum, but there is still no general agreement on the level spacing. In the specialized and important BH case study, our objective is to report and examine the pertinent groundbreaking work of the strictly thermal and nonstrictly thermal spectrum level spacing of the BH horizon area quantization with included entropy calculations, which aims to tackle this gigantic problem. In particular, such work exemplifies a series of imperative corrections that eventually permits a BH’s horizon area spectrum to be generalized from strictly thermal to nonstrictly thermal with entropy results, thereby capturing multiple preceding developments by launching an effective unification between them. Moreover, the results are significant because quasi-normal modes (QNM) and “effective states” characterize the transitions between the established levels of the nonstrictly thermal spectrum

  13. Black hole quasi-normal modes: the "electrons" of quantum gravity? Implications for the black hole information puzzle

    CERN Document Server

    Corda, Christian

    2015-01-01

    Some recent important results on black hole (BH) quantum physics concerning the BH effective state and the natural correspondence between Hawking radiation and BH quasi-normal modes (QNMs) are reviewed, clarified and refined. Such a correspondence permits to naturally interpret QNMs as quantum levels in a semi-classical model. This is a model of BH somewhat similar to the historical semi-classical model of the structure of a hydrogen atom introduced by Bohr in 1913. In a certain sense, QNMs represent the "electron" which jumps from a level to another one and the absolute values of the QNMs frequencies "triggered" by emissions (Hawking radiation) and absorption of particles represent the energy "shells" of the "gravitational hydrogen atom". Important consequences on the BH information puzzle are discussed. In fact, it is shown that the time evolution of this "Bohr-like BH model" obeys to a time dependent Schr\\"odinger equation which permits the final BH state to be a pure quantum state instead of a mixed one. ...

  14. Elastic parabolic equation and normal mode solutions for seismo-acoustic propagation in underwater environments with ice covers.

    Science.gov (United States)

    Collis, Jon M; Frank, Scott D; Metzler, Adam M; Preston, Kimberly S

    2016-05-01

    Sound propagation predictions for ice-covered ocean acoustic environments do not match observational data: received levels in nature are less than expected, suggesting that the effects of the ice are substantial. Effects due to elasticity in overlying ice can be significant enough that low-shear approximations, such as effective complex density treatments, may not be appropriate. Building on recent elastic seafloor modeling developments, a range-dependent parabolic equation solution that treats the ice as an elastic medium is presented. The solution is benchmarked against a derived elastic normal mode solution for range-independent underwater acoustic propagation. Results from both solutions accurately predict plate flexural modes that propagate in the ice layer, as well as Scholte interface waves that propagate at the boundary between the water and the seafloor. The parabolic equation solution is used to model a scenario with range-dependent ice thickness and a water sound speed profile similar to those observed during the 2009 Ice Exercise (ICEX) in the Beaufort Sea.

  15. Intramolecular hydrogen bond: Can it be part of the basis set of valence internal coordinates in normal mode analysis?

    Indian Academy of Sciences (India)

    Sarvesh Kumar Pandey; Prasanta Das; Puspendu K Das; Elangannan Arunan; Sadasivam Manogaran

    2015-06-01

    It has been shown earlier1 that the relaxed force constants (RFCs) could be used as a measure of bond strength only when the bonds form a part of the complete valence internal coordinates (VIC) basis. However, if the bond is not a part of the complete VIC basis, its RFC is not necessarily a measure of bond strength. Sometimes, it is possible to have a complete VIC basis that does not contain the intramolecular hydrogen bond (IMHB) as part of the basis. This means the RFC of IMHB is not necessarily a measure of bond strength. However, we know that IMHB is a weak bond and hence its RFC has to be a measure of bond strength. We resolve this problem of IMHB not being part of the complete basis by postulating `equivalent’ basis sets where IMHB is part of the basis at least in one of the equivalent sets of VIC. As long as a given IMHB appears in one of the equivalent complete VIC basis sets, its RFC could be used as a measure of bond strength parameter.

  16. Quasi Normal Modes and P-V Criticallity for scalar perturbations in a class of dRGT massive gravity around Black Holes

    OpenAIRE

    Prasia, P; Kuriakose, V. C.

    2016-01-01

    We investigate black holes in a class of dRGT massive gravity for their quasi normal modes (QNMs) for neutral and charged ones using Improved Asymptotic Iteration Method (Improved AIM) and their thermodynamic behavior. The QNMs are studied for different values of the massive parameter m_g for both neutral and charged dRGT black holes under a massless scalar perturbation. As m_g increases, the magnitude of the quasi normal frequencies are found to be increasing. The results are also compared w...

  17. Semi-analytical quasi-normal mode theory for the local density of states in coupled photonic crystal cavity-waveguide structures

    DEFF Research Database (Denmark)

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper;

    2015-01-01

    We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained, ......-trivial spectrum with a peak and a dip is found, which is reproduced only when including both the two relevant QNMs in the theory. In both cases, we find relative errors below 1% in the bandwidth of interest.......We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained......, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities a non...

  18. Quasi normal modes and P-V criticallity for scalar perturbations in a class of dRGT massive gravity around black holes

    Science.gov (United States)

    Prasia, P.; Kuriakose, V. C.

    2016-07-01

    We investigate black holes in a class of dRGT massive gravity for their quasi normal modes (QNMs) for neutral and charged ones using Improved Asymptotic Iteration Method and their thermodynamic behavior. The QNMs are studied for different values of the massive parameter m_g for both neutral and charged dRGT black holes under a massless scalar perturbation. As m_g increases, the magnitude of the quasi normal frequencies are found to be increasing. The results are also compared with the Schwarzchild de Sitter case. P-V criticallity of the aforesaid black hoels under massles scalar perturbation in the de Sitter space are also studied in this paper. It is found that the thermodynamic behavior of a neutral black hole shows no physically feasible phase transition while a charged black hole shows a definite phase transition.

  19. Quasi Normal Modes and P-V Criticallity for scalar perturbations in a class of dRGT massive gravity around Black Holes

    CERN Document Server

    Prasia, P

    2016-01-01

    We investigate black holes in a class of dRGT massive gravity for their quasi normal modes (QNMs) for neutral and charged ones using Improved Asymptotic Iteration Method (Improved AIM) and their thermodynamic behavior. The QNMs are studied for different values of the massive parameter m_g for both neutral and charged dRGT black holes under a massless scalar perturbation. As m_g increases, the magnitude of the quasi normal frequencies are found to be increasing. The results are also compared with the Schwarzchild de Sitter (SdS) case. P-V criticallity of the aforesaid black hoels under massles scalar perturbation in the de Sitter space are also studied in this paper. It is found that the thermodynamic behavior of a neutral black hole shows no physically feasible phase transition while a charged black hole shows a definite phase transition.

  20. Dynamical response of the Galileo Galilei on the ground rotor to test the equivalence principle: Theory, simulation, and experiment. I. The normal modes

    International Nuclear Information System (INIS)

    Recent theoretical work suggests that violation of the equivalence principle might be revealed in a measurement of the fractional differential acceleration η between two test bodies-of different compositions, falling in the gravitational field of a source mass--if the measurement is made to the level of η≅10-13 or better. This being within the reach of ground based experiments gives them a new impetus. However, while slowly rotating torsion balances in ground laboratories are close to reaching this level, only an experiment performed in a low orbit around the Earth is likely to provide a much better accuracy. We report on the progress made with the 'Galileo Galilei on the ground' (GGG) experiment, which aims to compete with torsion balances using an instrument design also capable of being converted into a much higher sensitivity space test. In the present and following articles (Part I and Part II), we demonstrate that the dynamical response of the GGG differential accelerometer set into supercritical rotation-in particular, its normal modes (Part I) and rejection of common mode effects (Part II)-can be predicted by means of a simple but effective model that embodies all the relevant physics. Analytical solutions are obtained under special limits, which provide the theoretical understanding. A simulation environment is set up, obtaining a quantitative agreement with the available experimental data on the frequencies of the normal modes and on the whirling behavior. This is a needed and reliable tool for controlling and separating perturbative effects from the expected signal, as well as for planning the optimization of the apparatus

  1. Quasi-Normal Modes: The “Electrons” of Black Holes as “Gravitational Atoms”? Implications for the Black Hole Information Puzzle

    Directory of Open Access Journals (Sweden)

    Christian Corda

    2015-01-01

    Full Text Available Some recent important results on black hole (BH quantum physics concerning the BH effective state and the natural correspondence between Hawking radiation and BH quasi-normal modes (QNMs are reviewed, clarified, and refined. Such a correspondence permits one to naturally interpret QNMs as quantum levels in a semiclassical model. This is a model of BH somewhat similar to the historical semiclassical model of the structure of a hydrogen atom introduced by Bohr in 1913. In a certain sense, QNMs represent the “electron” which jumps from a level to another one and the absolute values of the QNMs frequencies, “triggered” by emissions (Hawking radiation and absorption of particles, represent the energy “shells” of the “gravitational hydrogen atom.” Important consequences on the BH information puzzle are discussed. In fact, it is shown that the time evolution of this “Bohr-like BH model” obeys a time dependent Schrödinger equation which permits the final BH state to be a pure quantum state instead of a mixed one. Thus, information comes out in BH evaporation in agreement with the assumption by ’t Hooft that Schröedinger equations can be used universally for all dynamics in the universe. We also show that, in addition, our approach solves the entanglement problem connected with the information paradox.

  2. Quasi-Normal Modes: The “Electrons” of Black Holes as “Gravitational Atoms”? Implications for the Black Hole Information Puzzle

    International Nuclear Information System (INIS)

    Some recent important results on black hole (BH) quantum physics concerning the BH effective state and the natural correspondence between Hawking radiation and BH quasi-normal modes (QNMs) are reviewed, clarified, and refined. Such a correspondence permits one to naturally interpret QNMs as quantum levels in a semiclassical model. This is a model of BH somewhat similar to the historical semiclassical model of the structure of a hydrogen atom introduced by Bohr in 1913. In a certain sense, QNMs represent the “electron” which jumps from a level to another one and the absolute values of the QNMs frequencies, “triggered” by emissions (Hawking radiation) and absorption of particles, represent the energy “shells” of the “gravitational hydrogen atom.” Important consequences on the BH information puzzle are discussed. In fact, it is shown that the time evolution of this “Bohr-like BH model” obeys a time dependent Schrödinger equation which permits the final BH state to be a pure quantum state instead of a mixed one. Thus, information comes out in BH evaporation in agreement with the assumption by ’t Hooft that Schröedinger equations can be used universally for all dynamics in the universe. We also show that, in addition, our approach solves the entanglement problem connected with the information paradox

  3. Quasi-normal modes of Pop III binary black holes can confirm or refute the Einstein theory in the strong gravity region

    CERN Document Server

    Kinugawa, Tomoya; Kanda, Nobuyuki; Nakamura, Takashi

    2015-01-01

    Using our population synthesis code, we found that the typical chirp mass defined by $(m_1m_2)^{3/5}/(m_1+m_2)^{1/5}$ of Pop III binary black holes (BH-BHs) is $\\sim30~\\rm M_{\\odot}$ with the total mass of $\\sim60~\\rm M_{\\odot}$ so that the inspiral chirp signal as well as quasi normal mode (QNM) of the merged black hole (BH) are interesting targets of KAGRA, Adv. LIGO, Adv. Virgo and GEO network. The detection rate of the coalescing Pop III BH-BHs is 262 $\\rm events~yr^{-1}$$(\\rm SFR_P/(10^{-2.5}~\\rm M_{\\odot} \\rm~yr^{-1}~Mpc^{-3}))\\cdot Err_{sys}$ in our standard model where $\\rm SFR_{p}$ and $\\rm Err_{sys}$ are the peak value of the Pop III star formation rate and the systematic error with $\\rm Err_{sys}=1$ for our standard model, respectively. To evaluate the robustness of chirp mass distribution and the range of $\\rm Err_{sys}$, we examine the dependence of the results on the unknown parameters and the distribution functions in the population synthesis code. We found that the chirp mass has a peak at $\\s...

  4. Two-Dimensional Numerical Simulation of the DC Glow Discharge in the Normal Mode and with Einstein's Relation of Electron Diffusivity%Two-Dimensional Numerical Simulation of the DC Glow Discharge in the Normal Mode and with Einstein's Relation of Electron Diffusivity

    Institute of Scientific and Technical Information of China (English)

    A. BOUCHIKHI

    2012-01-01

    This paper presents an investigation of a DC glow discharge at low pressure in the normal mode and with Einstein's relation of electron diffusivity. Two-dimensional distributions in Cartesian geometry are presented in the stationary state, including electric potential, electron and ion densities, longitudinal and transverse electrics fields as well as electron temperature. Our results are compared with those obtained in existing literature. The model used in this work is based on the first three moments of Boltzmann's equation. They serve as the continuity equation, the momentum transfer and the energy equations. The set of equations for charged particles presented in monatomic argon gas are coupled in a self-consistent way with Poisson's equation. A parametric study varying the cathode voltage, gas pressure, and secondary electron emission coefficient predicts many of the well-known features of DC discharges.

  5. Analysis of shallow-water experimental acoustic data including a comparison with a broad-band normal-mode-propagation model

    NARCIS (Netherlands)

    Simons, D.G.; McHugh, R.; Snellen, M.; McCormick, N.H.; Lawson, E.A.

    2001-01-01

    Channel temporal variability, resulting from fluctuations in oceanographic parameters, is an important issue for reliable communications in shallow-water-long-range acoustic propagation. As part of an acoustic model validation exercise, audio-band acoustic data and oceanographic data were collected

  6. Application of frequency shifting in truncating substructure low order normal modes%移频技术在子结构低阶主模态截断中的应用

    Institute of Scientific and Technical Information of China (English)

    罗虹; 章竟成; 李兴泉; 李英强

    2013-01-01

    A method to cutoff substructure low order normal modes in component mode synthesis is proposed. Frequency shifting technique is introduced in substructure free vibration differential equation. Quasi-static constraint mode is taken into coordinate transformation and the contribution of substructure low order normal modes to system middle frequency modes is reduced,thus substructure low order normal modes truncation is achieved. This technique is used to compute dynamic characteristics of a body-in-white FEM mode in the frequency band of 160 ~ 190 Hz. The results show that compared with traditional component mode synthesis,which keeps 1 836 normal modes,this method only needs 297 normal modes and saves 27. 7% calculation time. It means frequency shifting technique can improve the computational efficiency for middle frequency band dynamic characteristics of complex structure.%提出固定界面模态综合法中子结构低阶主模态的截断方法.对子结构自由振动微分方程做移频处理,采用包含惯性力影响因素的子结构准静力模态进行坐标变换,降低了子结构低阶主模态对系统中频段模态的贡献,实现了子结构低阶主模态截断.采用该方法分析某白车身有限元模型160~190 Hz的动态响应特性.结果表明:引入移频技术后,相比传统固定界面模态综合法,子结构保留的主模态数量从之前的1 836阶下降至297阶,计算时间减少27.7%,说明该方法能有效提高复杂结构中频段动态响应计算效率.

  7. Observations of the azimuthal dependence of normal mode coupling below 4 mHz at the South Pole and its nearby stations: Insights into the anisotropy beneath the Transantarctic Mountains

    Science.gov (United States)

    Hu, Xiao Gang

    2016-08-01

    Normal mode coupling pair 0S26-0T26 and 0S27-0T27 are significantly present at the South Pole station QSPA after the 2011/03/11 Mw9.1 Tohoku earthquake. In an attempt to determine the mechanisms responsible for the coupling pairs, I first investigate mode observations at 43 stations distributed along the polar great-circle path for the earthquake and observations at 32 Antarctic stations. I rule out the effect of Earth's rotation as well as the effect of global large-scale lateral heterogeneity, but argue instead for the effect of small-scale local azimuthal anisotropy in a depth extent about 300 km. The presence of quasi-Love waveform in 2-5 mHz at QSPA and its nearby stations confirms the predication. Secondly, I analyze normal mode observations at the South Pole location after 28 large earthquakes from 1998 to 2015. The result indicates that the presence of the mode coupling is azimuthal dependent, which is related to event azimuths in -46° to -18°. I also make a comparison between the shear-wave splitting measurements of previous studies and the mode coupling observations of this study, suggesting that their difference can be explained by a case that the anisotropy responsible for the mode coupling is not just below the South Pole location but located below region close to the Transantarctic Mountains (TAM). Furthermore, more signals of local azimuthal anisotropy in normal-mode observations at QSPA and SBA, such as coupling of 0S12-0T11 and vertical polarization anomaly for 0T10, confirms the existence of deep anisotropy close to TAM, which may be caused by asthenospheric mantle flow and edge convection around cratonic keel of TAM.

  8. Dipole Correlation of the Electronic Structures of theConformations of Water Molecule Evolving Through theNormal Modes of Vibrations Between Angular (C2v to Linear(D∝h Shapes

    Directory of Open Access Journals (Sweden)

    Arindam Chakraborty

    2006-03-01

    Full Text Available In order to settle the issue of equivalence or non-equivalence of the two lone pairsof electrons on oxygen atom in water molecule, a quantum chemical study of the dipolecorrelation of the electronic structure of the molecule as a function of conformationsgenerated following the normal modes of vibrations between the two extremeconformations, C2v (∠HOH at 90o and D∝h (∠HOH at 180o, including the equilibrium one,has been performed. The study invokes quantum mechanical partitioning of moleculardipoles into bond moment and lone pair moment and localization of delocalized canonicalmolecular orbitals, CMO’s into localized molecular orbitals, LMO’s. An earlier suggestion,on the basis of photoelectron spectroscopy, that one lone pair is in p-type and the other is ins-type orbital of O atom of water molecule at its equilibrium shape, and also the qualitative“Squirrel Ears” structure are brought under serious scrutiny. A large number ofconformations are generated and the charge density matrix, dipole moment of eachconformation is computed in terms of the generated canonical molecular orbitals, CMO’sand then Sinanoğlu’s localization method is invoked to localize the CMO’s of eachconformation and the quantum mechanical hybridizations of all the bonds and lone pairs onO center are evaluated in terms of the localized molecular orbitals. Computed datademonstrate that the electronic structures i.e. two bond pairs and two lone pairs and itshybridization status of all conformations of water molecule are straightforward in terms ofthe LMO’s. It is further revealed that the pattern of orbital hybridization changescontinuously as a function of evolution of molecular shape. The close analysis of thegenerated LMO’s reveals that one lone pair is accommodated in a pure p orbital and anotherlone pair is in a hybrid

  9. Normal mode calculations of trigonal selenium

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; McMurry, H. L.

    1980-01-01

    symmetry. The intrachain force field is projected from a valence type field including a bond stretch, angle bend, and dihedral torsion. With these coordinates we obtain the strong dispersion of the upper optic modes as observed by neutron scattering, where other models have failed and give flat bands...

  10. Refringence, field theory and normal modes

    International Nuclear Information System (INIS)

    In a previous paper [Barcelo C et al 2001 Class. Quantum Grav. 18 3595-610 (Preprint gr-qc/0104001)] we have shown that the occurrence of curved spacetime 'effective Lorentzian geometries' is a generic result of linearizing an arbitrary classical field theory around some nontrivial background configuration. This observation explains the ubiquitous nature of the 'analogue models' for general relativity that have recently been developed based on condensed matter physics. In the simple (single scalar field) situation analysed in our previous paper, there is a single unique effective metric; more complicated situations can lead to bi-metric and multi-metric theories. In the present paper we will investigate the conditions required to keep the situation under control and compatible with experiment - either by enforcing a unique effective metric (as would be required to be strictly compatible with the Einstein equivalence principle), or at the worst by arranging things so that there are multiple metrics that are all 'close' to each other (in order to be compatible with the Eoetvoes experiment). The algebraically most general situation leads to a physical model whose mathematical description requires an extension of the usual notion of Finsler geometry to a Lorentzian-signature pseudo-Finsler geometry; while this is possibly of some interest in its own right, this particular case does not seem to be immediately relevant for either particle physics or gravitation. The key result is that wide classes of theories lend themselves to an effective metric description. This observation provides further evidence that the notion of 'analogue gravity' is rather generic

  11. Spectral fitting inversion of low-frequency normal modes with self-coupling and cross-coupling of toroidal and spheroidal multiplets: numerical experiments to estimate the isotropic and anisotropic velocity structures

    Science.gov (United States)

    Oda, Hitoshi

    2016-06-01

    The aspherical structure of the Earth is described in terms of lateral heterogeneity and anisotropy of the P- and S-wave velocities, density heterogeneity, ellipticity and rotation of the Earth and undulation of the discontinuity interfaces of the seismic wave velocities. Its structure significantly influences the normal mode spectra of the Earth's free oscillation in the form of cross-coupling between toroidal and spheroidal multiplets and self-coupling between the singlets forming them. Thus, the aspherical structure must be conversely estimated from the free oscillation spectra influenced by the cross-coupling and self-coupling. In the present study, we improve a spectral fitting inversion algorithm which was developed in a previous study to retrieve the global structures of the isotropic and anisotropic velocities of the P and S waves from the free oscillation spectra. The main improvement is that the geographical distribution of the intensity of the S-wave azimuthal anisotropy is represented by a nonlinear combination of structure coefficients for the anisotropic velocity structure, whereas in the previous study it was expanded into a generalized spherical harmonic series. Consequently, the improved inversion algorithm reduces the number of unknown parameters that must be determined compared to the previous inversion algorithm and employs a one-step inversion method by which the structure coefficients for the isotropic and anisotropic velocities are directly estimated from the fee oscillation spectra. The applicability of the improved inversion is examined by several numerical experiments using synthetic spectral data, which are produced by supposing a variety of isotropic and anisotropic velocity structures, earthquake source parameters and station-event pairs. Furthermore, the robustness of the inversion algorithm is investigated with respect to the back-ground noise contaminating the spectral data as well as truncating the series expansions by finite terms

  12. The detection rate of inspiral and quasi-normal modes of Population III binary black holes which can confirm or refute the general relativity in the strong gravity region

    Science.gov (United States)

    Kinugawa, Tomoya; Miyamoto, Akinobu; Kanda, Nobuyuki; Nakamura, Takashi

    2016-02-01

    Using our population synthesis code, we found that the typical chirp mass defined by (m1m2)3/5/(m1 + m2)1/5 of Population III (Pop III) binary black holes (BH-BHs) is ˜30 M⊙ with the total mass of ˜60 M⊙ so that the inspiral chirp signal as well as quasi-normal mode (QNM) of the merging black hole (BH) are interesting targets of KAGRA. The detection rate of the coalescing Pop III BH-BHs is ˜180 events yr- 1 (SFRp/(10-2.5 M⊙ yr-1 Mpc-3))([fb/(1 + fb)]/0.33)Errsys in our standard model, where SFRp, fb and Errsys are the peak value of the Pop III star formation rate, the binary fraction and the systematic error with Errsys = 1 for our standard model, respectively. To evaluate the robustness of chirp mass distribution and the range of Errsys, we examine the dependence of the results on the unknown parameters and the distribution functions in the population synthesis code. We found that the chirp mass has a peak at ˜30 M⊙ in most of parameters and distribution functions as well as Errsys ranges from 0.046 to 4. Therefore, the detection rate of the coalescing Pop III BH-BHs ranges about 8.3-720 events yr- 1(SFRp/(10- 2.5 M⊙ yr- 1 Mpc- 3))([fb/(1 + fb)]/0.33). The minimum rate corresponds to the worst model which we think unlikely so that unless (SFRp/(10- 2.5 M⊙ yr- 1 Mpc- 3))([fb/(1 + fb)]/0.33) ≪ 0.1, we expect the Pop III BH-BHs merger rate of at least one event per year by KAGRA. Nakano, Tanaka & Nakamura show that if signal-to-noise ratio (S/N) of QNM is larger than 35, we can confirm or refute the general relativity (GR) more than 5σ level. In our standard model, the detection rate of Pop III BH-BHs whose S/N is larger than 35 is 3.2 events yr- 1 (SFRp/(10- 2.5 M⊙ yr- 1 Mpc- 3))([fb/(1 + fb)]/0.33)Errsys. Thus, there is a good chance to check whether GR is correct or not in the strong gravity region.

  13. A quantitative analysis of coupled oscillations using mobile accelerometer sensors

    Science.gov (United States)

    Castro-Palacio, Juan Carlos; Velázquez-Abad, Luisberis; Giménez, Fernando; Monsoriu, Juan A.

    2013-05-01

    In this paper, smartphone acceleration sensors were used to perform a quantitative analysis of mechanical coupled oscillations. Symmetric and asymmetric normal modes were studied separately in the first two experiments. In the third, a coupled oscillation was studied as a combination of the normal modes. Results indicate that acceleration sensors of smartphones, which are very familiar to students, represent valuable measurement instruments for introductory and first-year physics courses.

  14. Evaluation of MARC for the analysis of rotating composite blades

    Science.gov (United States)

    Bartos, Karen F.; Ernst, Michael A.

    1993-01-01

    The suitability of the MARC code for the analysis of rotating composite blades was evaluated using a four-task process. A nonlinear displacement analysis and subsequent eigenvalue analysis were performed on a rotating spring mass system to ensure that displacement-dependent centrifugal forces were accounted for in the eigenvalue analysis. Normal modes analyses were conducted on isotropic plates with various degrees of twist to evaluate MARC's ability to handle blade twist. Normal modes analyses were conducted on flat composite plates to validate the newly developed coupled COBSTRAN-MARC methodology. Finally, normal modes analyses were conducted on four composite propfan blades that were designed, analyzed, and fabricated at NASA Lewis Research Center. Results were compared with experimental data. The research documented herein presents MARC as a viable tool for the analysis of rotating composite blades.

  15. Harmonic Vibrational Analysis in Delocalized Internal Coordinates.

    Science.gov (United States)

    Jensen, Frank; Palmer, David S

    2011-01-11

    It is shown that a principal component analysis of a large set of internal coordinates can be used to define a nonredundant set of delocalized internal coordinates suitable for the calculation of harmonic vibrational normal modes. The selection of internal coordinates and the principal component analysis provide large degrees of freedom in extracting a nonredundant set of coordinates, and thus influence how the vibrational normal modes are described. It is shown that long-range coordinates may be especially suitable for describing low-frequency global deformation modes in proteins.

  16. Normal Modes, Molecular Orbitals and Thermochemical Analyses of 2,4 and 3,4 Dichloro Substituted Phenyl-N-(1,3-thiazol-2-ylacetamides: DFT Study and FTIR Spectra

    Directory of Open Access Journals (Sweden)

    Ambrish K. Srivastava

    2014-01-01

    Full Text Available A detailed spectroscopic analysis of two dichloro substituted phenyl-N-(1,3-thiazol-2-ylacetamides at 2,4 and 3,4 positions of the phenyl ring has been carried out by using B3LYP method with 6-31+G(d, p basis set within density functional scheme. The scaled theoretical wave numbers are in perfect agreement with the experimental values and the vibrational modes are interpreted in terms of potential energy distribution (PED. The internal coordinates are optimized repeatedly to maximize the PED contributions. The molecular HOMO-LUMO surfaces, their respective energy gaps, and MESP surfaces have also been drawn to explain the chemical activity of both molecules. Various thermodynamic parameters are presented at the same level of theory.

  17. The normal modes of lattice vibrations of ice XI

    Science.gov (United States)

    Zhang, Peng; Wang, Zhe; Lu, Ying-Bo; Ding, Zheng-Wen

    2016-07-01

    The vibrational spectrum of ice XI at thermal wavelengths using the CASTEP code, a first-principles simulation method, is investigated. A dual-track approach is constructed to verify the validity for the computational phonon spectrum: collate the simulated spectrum with inelastic neutron scattering experiments and assign the photon scattering peaks according to the calculated normal vibration frequencies. The 33 optical normal vibrations at the Brillouin center are illustrated definitely from the ab initio outcomes. The depolarizing field effect of the hydrogen bond vibrations at frequencies of 229 cm‑1 and 310 cm‑1 is found to agree well with the LST relationship. It is a convincing evidence to manifest the LO-TO splitting of hydrogen bonds in ice crystal. We attribute the two hydrogen bond peaks to the depolarization effect and apply this viewpoint to ordinary ice phase, ice Ih, which is difficult to analyse their vibration modes due to proton disorder.

  18. 3DEM Loupe: Analysis of macromolecular dynamics using structures from electron microscopy.

    Science.gov (United States)

    Nogales-Cadenas, R; Jonic, S; Tama, F; Arteni, A A; Tabas-Madrid, D; Vázquez, M; Pascual-Montano, A; Sorzano, C O S

    2013-07-01

    Electron microscopy (EM) provides access to structural information of macromolecular complexes in the 3-20 Å resolution range. Normal mode analysis has been extensively used with atomic resolution structures and successfully applied to EM structures. The major application of normal modes is the identification of possible conformational changes in proteins. The analysis can throw light on the mechanism following ligand binding, protein-protein interactions, channel opening and other functional macromolecular movements. In this article, we present a new web server, 3DEM Loupe, which allows normal mode analysis of any uploaded EM volume using a user-friendly interface and an intuitive workflow. Results can be fully explored in 3D through animations and movies generated by the server. The application is freely available at http://3demloupe.cnb.csic.es.

  19. Dynamical analysis of highly excited molecular spectra

    Energy Technology Data Exchange (ETDEWEB)

    Kellman, M.E. [Univ. of Oregon, Eugene (United States)

    1993-12-01

    The goal of this program is new methods for analysis of spectra and dynamics of highly excited vibrational states of molecules. In these systems, strong mode coupling and anharmonicity give rise to complicated classical dynamics, and make the simple normal modes analysis unsatisfactory. New methods of spectral analysis, pattern recognition, and assignment are sought using techniques of nonlinear dynamics including bifurcation theory, phase space classification, and quantization of phase space structures. The emphasis is chaotic systems and systems with many degrees of freedom.

  20. Analysis of nonlinear structures via mode synthesis

    Science.gov (United States)

    Gieseke, R. K.

    1975-01-01

    An effective procedure for NASTRAN was developed that permits any number of substructures of any size to be synthesized for the purpose of developing normal modes of vibration of the complete structural system. The technique is extended to permit modal transient analysis of the subdivided system. This latter procedure permits the use of NASTRAN's ability to include nonlinear forces in the problem. The five-phase process is accomplished using standard NASTRAN rigid formats with problem-independent alter packages and DMAP sequences.

  1. Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces

    OpenAIRE

    Zeitler, Todd R.; Greathouse, Jeffery A.; Gale, Julian D.; Cygan, Randall T.

    2014-01-01

    We introduce a nonbonded three-body harmonic potential energy term for Mg–O–H interactions for improved edge surface stability in molecular simulations. The new potential term is compatible with the Clayff force field and is applied here to brucite, a layered magnesium hydroxide mineral. Comparisons of normal mode frequencies from classical and density functional theory calculations are used to verify a suitable spring constant (k parameter) for the Mg–O–H bending motion. Vibrational analysis...

  2. Green's-function analysis of the odd-parity perturbations of a Reissner-Nordstroem black hole

    Energy Technology Data Exchange (ETDEWEB)

    Chitre, D.M.; Chrzanowski, P.L.

    1976-11-15

    A Green's-function analysis is carried out for Reissner-Nordstroem odd-parity perturbation equations with sources. It leads to a definitive identification of the normal modes, which are shown to contain a derivative coupling of the gravitational and electromagnetic potentials to the background electromagnetic field. Connections are made with previous works by Gerlach in the high-frequency limit and by Chitre, Price, and Sandberg in the small-charge approximation. (AIP)

  3. The influence of phase-locking on internal resonance from a nonlinear normal mode perspective

    Science.gov (United States)

    Hill, T. L.; Neild, S. A.; Cammarano, A.; Wagg, D. J.

    2016-09-01

    When a nonlinear system is expressed in terms of the modes of the equivalent linear system, the nonlinearity often leads to modal coupling terms between the linear modes. In this paper it is shown that, for a system to exhibit an internal resonance between modes, a particular type of nonlinear coupling term is required. Such terms impose a phase condition between linear modes, and hence are denoted phase-locking terms. The effect of additional modes that are not coupled via phase-locking terms is then investigated by considering the backbone curves of the system. Using the example of a two-mode model of a taut horizontal cable, the backbone curves are derived for both the case where phase-locked coupling terms exist, and where there are no phase-locked coupling terms. Following this, an analytical method for determining stability is used to show that phase-locking terms are required for internal resonance to occur. Finally, the effect of non-phase-locked modes is investigated and it is shown that they lead to a stiffening of the system. Using the cable example, a physical interpretation of this is provided.

  4. On the structure and normal modes of hydrogenated Ti-fullerene compounds

    Energy Technology Data Exchange (ETDEWEB)

    Tlahuice-Flores, Alfredo, E-mail: tlahuicef@yahoo.com [Universidad Nacional Autonoma de Mexico, Instituto de Fisica (Mexico); Mejia-Rosales, Sergio, E-mail: sergio.mejiars@uanl.edu.mx [Universidad Autonoma de Nuevo Leon, CICFIM-Facultad de Ciencias Fisico Matematicas, and Centro de Innovacion, Investigacion y Desarrollo en Ingenieria y Tecnologia (Mexico); Galvan, Donald H., E-mail: donald@cnyn.unam.mx [Centro de Nanociencias y Nanotecnologia-Universidad Nacional Autonoma de Mexico (Mexico)

    2012-08-15

    When titanium covers a C{sub 60} core, the metal atoms may suppress the fullerene's capacity of storing hydrogen, depending on the number of Ti atoms covering the C{sub 60} framework, the Ti-C binding energy, and diffusion barriers. In this article, we study the structural and vibrational properties of the C{sub 60}TiH{sub n} (n = 2, 4, 6, and 8) and C{sub 60}Ti{sub 6}H{sub 48} compounds. The IR spectra of C{sub 60}TiH{sub n} compounds have a maximum attributable to the Ti-H stretching mode, which shifts to lower values in the structures with n = 4, 8, while their Raman spectra show two peaks corresponding to the stretching modes of H{sub 2} molecules at apical and azimuthal positions. On the other hand, the IR spectrum of C{sub 60}Ti{sub 6}H{sub 48} shows an intense peak due to the Ti-H in-phase stretching mode, while its Raman spectrum has a maximum attributed to the pentagonal pinch of the C{sub 60} core. Finally, we have found that the presence of one apical H{sub 2} molecule enhances the pentagonal pinch mode, becoming the maximum in the Raman spectrum.Graphical Abstract.

  5. Stable, accurate and efficient computation of normal modes for horizontal stratified models

    Science.gov (United States)

    Wu, Bo; Chen, Xiaofei

    2016-08-01

    We propose an adaptive root-determining strategy that is very useful when dealing with trapped modes or Stoneley modes whose energies become very insignificant on the free surface in the presence of low-velocity layers or fluid layers in the model. Loss of modes in these cases or inaccuracy in the calculation of these modes may then be easily avoided. Built upon the generalized reflection/transmission coefficients, the concept of `family of secular functions' that we herein call `adaptive mode observers' is thus naturally introduced to implement this strategy, the underlying idea of which has been distinctly noted for the first time and may be generalized to other applications such as free oscillations or applied to other methods in use when these cases are encountered. Additionally, we have made further improvements upon the generalized reflection/transmission coefficient method; mode observers associated with only the free surface and low-velocity layers (and the fluid/solid interface if the model contains fluid layers) are adequate to guarantee no loss and high precision at the same time of any physically existent modes without excessive calculations. Finally, the conventional definition of the fundamental mode is reconsidered, which is entailed in the cases under study. Some computational aspects are remarked on. With the additional help afforded by our superior root-searching scheme and the possibility of speeding calculation using a less number of layers aided by the concept of `turning point', our algorithm is remarkably efficient as well as stable and accurate and can be used as a powerful tool for widely related applications.

  6. High-average-power normal-mode Cr:Nd:GSGG lasers

    International Nuclear Information System (INIS)

    Several recent studies have shown the laser host material gadolinium scandium gallium garnet (GSGG) doped with Nd/sup 3+/ and sensitized by Cr/sup 3+/ to be a more efficient laser than the well-known commonly used Nd:YAG. However, all these studies have been performed at relatively low average pump power. To evaluate Nd:GSGG as a high-average-power laser material, the authors measured absorption efficiency, heat deposition rate, and thermally induced stress in 4- and 6.3-mm diam GSGG laser rods up to 2-KW pumping levels and compared these values, as well as laser output powers, to the results of similar experiments in Nd:YAG. In this work, 79-mm long Cr:Nd:GSGG rods have been tested using a silver-plated elliptical pump reflector which housed a xenon flashlamp running at a 6-Hz repetition rate with a pulse duration of ≅500 μs. The authors used the frequency-doubled output from a cw Nd:YAG laser at 532 nm as a probe beam to measure average thermal focal length and thermally induced birefringence

  7. The existence of radial anisotropy in Earth's upper inner core revealed from seismic normal mode observations

    NARCIS (Netherlands)

    Lythgoe, Karen H.; Deuss, Arwen

    2015-01-01

    As we strive to understand the most remote region of our planet, one critical area of investigation is the uppermost inner core since its structure is related to solidification of outer core material at the inner core boundary (ICB). Previous seismic studies have used body waves to show that the top

  8. Quasi-normal mode expansion for linearized waves in gravitational systems

    CERN Document Server

    Ching, E S C; Suen, W M; Young, K; Ching, E S C; Leung, P T; Suen, W M; Young, K

    1994-01-01

    The quasinormal modes (QNM's) of gravitational systems modeled by the Klein-Gordon equation with effective potentials are studied in analogy to the QNM's of optical cavities. Conditions are given for the QNM's to form a complete set, i.e., for the Green's function to be expressible as a sum over QNM's, answering a conjecture by Price and Husain [Phys. Rev. Lett. {\\bf 68}, 1973 (1992)]. In the cases where the QNM sum is divergent, procedures for regularization are given. The crucial condition for completeness is the existence of spatial discontinuities in the system, e.g., the discontinuity at the stellar surface in the model of Price and Husain.

  9. Normal-Mode-Analysis–Monitored Energy Minimization Procedure for Generating Small–Molecule Bound Conformations

    OpenAIRE

    Wang, Qi; Pang, Yuan-Ping

    2007-01-01

    The energy minimization of a small molecule alone does not automatically stop at a local minimum of the potential energy surface of the molecule if the minimum is shallow, thus leading to folding of the molecule and consequently hampering the generation of the bound conformation of a guest in the absence of its host. This questions the practicality of virtual screening methods that use conformations at local minima of their potential energy surfaces (local minimum conformations) as potential ...

  10. Bisymmetric normal modes in soft-centred and realistic galactic discs

    CERN Document Server

    Polyachenko, Evgeny

    2014-01-01

    We test methods for the determination of unstable modes in stellar discs: a point collocation scheme in the action sub-space, a scheme based on expansion of the density and potential on the biorthonormal basis, and a finite element method. Using models of galaxies with low and high mass concentration to the center, the existence of two different kinds of spectra of unstable modes is demonstrated. Characteristic features of methods and obtained spectra are discussed. Despite ignoring any constraint on the continuity or differentiability of the perturbed DF, the collocation scheme is reliable for obtaining spectra and patterns in both kinds of models. The method based on the expansion of the perturbed potential and surface density over a biorthogonal basis was not applicable to a model with high mass concentration. The finite element method successfully used in various fields of science and engineering is currently sensitive to the presence of resonant orbits due to the choice of interpolation functions for the...

  11. Analysis of the transverse kick to beams in low-frequency photoinjectors due to wakefield effects

    Science.gov (United States)

    Salah, Wa'el; Jones, Roger M.; Coacolo, J.-L.

    2009-04-01

    A time domain analysis of the normal modes in a cavity is used to obtain an analytical expression for the transverse momentum imparted to particles within an accelerated electron beam in a low frequency photoinjector. These analytical expressions form the basis of detailed simulations on the transverse momentum imparted to an accelerated beam. This analysis of the wakefields employs a modified form of the Panofsky-Wenzel theorem in which additional velocity dependent effects are taken into account. Simulations are presented for parameters of the ELSA photocathode.

  12. Automated Analysis, Classification, and Display of Waveforms

    Science.gov (United States)

    Kwan, Chiman; Xu, Roger; Mayhew, David; Zhang, Frank; Zide, Alan; Bonggren, Jeff

    2004-01-01

    A computer program partly automates the analysis, classification, and display of waveforms represented by digital samples. In the original application for which the program was developed, the raw waveform data to be analyzed by the program are acquired from space-shuttle auxiliary power units (APUs) at a sampling rate of 100 Hz. The program could also be modified for application to other waveforms -- for example, electrocardiograms. The program begins by performing principal-component analysis (PCA) of 50 normal-mode APU waveforms. Each waveform is segmented. A covariance matrix is formed by use of the segmented waveforms. Three eigenvectors corresponding to three principal components are calculated. To generate features, each waveform is then projected onto the eigenvectors. These features are displayed on a three-dimensional diagram, facilitating the visualization of the trend of APU operations.

  13. TMM@: a web application for the analysis of transmembrane helix mobility

    Directory of Open Access Journals (Sweden)

    Jonassen Inge

    2007-07-01

    Full Text Available Abstract Background To understand the mechanism by which a protein transmits a signal through the cell membrane, an understanding of the flexibility of its transmembrane (TM region is essential. Normal Mode Analysis (NMA has become the method of choice to investigate the slowest motions in macromolecular systems. It has been widely used to study transmembrane channels and pumps. It relies on the hypothesis that the vibrational normal modes having the lowest frequencies (also named soft modes describe the largest movements in a protein and are the ones that are functionally relevant. In particular NMA can be used to study dynamics of TM regions, but no tool making this approach available for non-experts, has been available so far. Results We developed the web-application TMM@ (TransMembrane α-helical Mobility analyzer. It uses NMA to characterize the propensity of transmembrane α-helices to be displaced. Starting from a structure file at the PDB format, the server computes the normal modes of the protein and identifies which helices in the bundle are the most mobile. Each analysis is performed independently from the others and results can be visualized using only a web browser. No additional plug-in or software is required. For users who would like to further analyze the output data with their favourite software, raw results can also be downloaded. Conclusion We built a novel and unique tool, TMM@, to study the mobility of transmembrane α-helices. The tool can be applied to for example membrane transporters and provides biologists studying transmembrane proteins with an approach to investigate which α-helices are likely to undergo the largest displacements, and hence which helices are most likely to be involved in the transportation of molecules in and out of the cell.

  14. Analysis of the (1)A' S1 ← (1)A' S0 and (2)A' D0 ← (1)A' S1 band systems in 1,2-dichloro-4-fluorobenzene by means of resonance-enhanced-multi-photon-ionization (REMPI) and mass-analyzed-threshold-ionization (MATI) spectroscopy.

    Science.gov (United States)

    Krüger, Sascha; Grotemeyer, Jürgen

    2016-03-14

    Resonance enhanced multiphoton ionization (REMPI) and mass analyzed threshold ionization (MATI) spectroscopy have been applied in order to investigate the vibrational structure of 1,2-dichloro-4-fluorobenzene (1,2,4-DCFB) in its first excited state (S1) and the cationic ground state (D0). The selection of the state prior to ionization resulted in MATI spectra with different intensity distributions thus giving access to many vibrational levels. To support the experimental findings, geometry optimizations and frequency analyses at DFT (density functional) and TDDFT (time-dependent density functional) levels of theory have been applied. Additionally, a multidimensional Franck-Condon approach has been used to calculate the vibrational intensities from the DFT calculations. An excellent agreement between simulated and measured REMPI and MATI spectra allowed for a confident assignment of vibrational levels and mechanisms active during excitation and ionization. In order to avoid any ambiguity regarding the assignment of the vibrational bands to normal modes, Duschinsky normal mode analysis has been performed to correlate the ground state (S0) normal modes of 1,2,4-DCFB with the benzene derived Wilson nomenclature. From the REMPI spectra the electronic excitation energy (EE) of 1,2-dichloro-4-fluorobenzene could be determined to be 35 714 ± 2 cm(-1) while the MATI spectra yielded the adiabatic ionization energy (IE) of 1,2-dichloro-4-fluorobenzene which could be determined to be 73 332 ± 7 cm(-1).

  15. Analysis of the (1)A' S1 ← (1)A' S0 and (2)A' D0 ← (1)A' S1 band systems in 1,2-dichloro-4-fluorobenzene by means of resonance-enhanced-multi-photon-ionization (REMPI) and mass-analyzed-threshold-ionization (MATI) spectroscopy.

    Science.gov (United States)

    Krüger, Sascha; Grotemeyer, Jürgen

    2016-03-14

    Resonance enhanced multiphoton ionization (REMPI) and mass analyzed threshold ionization (MATI) spectroscopy have been applied in order to investigate the vibrational structure of 1,2-dichloro-4-fluorobenzene (1,2,4-DCFB) in its first excited state (S1) and the cationic ground state (D0). The selection of the state prior to ionization resulted in MATI spectra with different intensity distributions thus giving access to many vibrational levels. To support the experimental findings, geometry optimizations and frequency analyses at DFT (density functional) and TDDFT (time-dependent density functional) levels of theory have been applied. Additionally, a multidimensional Franck-Condon approach has been used to calculate the vibrational intensities from the DFT calculations. An excellent agreement between simulated and measured REMPI and MATI spectra allowed for a confident assignment of vibrational levels and mechanisms active during excitation and ionization. In order to avoid any ambiguity regarding the assignment of the vibrational bands to normal modes, Duschinsky normal mode analysis has been performed to correlate the ground state (S0) normal modes of 1,2,4-DCFB with the benzene derived Wilson nomenclature. From the REMPI spectra the electronic excitation energy (EE) of 1,2-dichloro-4-fluorobenzene could be determined to be 35 714 ± 2 cm(-1) while the MATI spectra yielded the adiabatic ionization energy (IE) of 1,2-dichloro-4-fluorobenzene which could be determined to be 73 332 ± 7 cm(-1). PMID:26884269

  16. Conformational analysis of Clostridium difficile toxin B and its implications for substrate recognition.

    Directory of Open Access Journals (Sweden)

    Rebecca Swett

    Full Text Available Clostridium difficile (C. difficile is an opportunistic pathogen that can cause potentially lethal hospital-acquired infections. The cellular damage that it causes is the result of two large clostridial cytotoxins: TcdA and TcdB which act by glucosylating cytosolic G-proteins, mis-regulation of which induces apoptosis. TcdB is a large flexible protein that appears to undergo significant structural rearrangement upon accommodation of its substrates: UDP-glucose and a Rho-family GTPase. To characterize the conformational space of TcdB, we applied normal mode and hinge-region analysis, followed by long-timescale unbiased molecular dynamics. In order to examine the TcdB and RhoA interaction, macromolecular docking and simulation of the TcdB/RhoA complex was performed. Generalized Masked Delaunay analysis of the simulations determined the extent of significant motions. This combination of methods elucidated a wide range of motions within TcdB that are reiterated in both the low-cost normal mode analysis and the extensive MD simulation. Of particular interest are the coupled motions between a peripheral 4-helix bundle and a small loop in the active site that must rearrange to allow RhoA entry to the catalytic site. These extensive coupled motions are indicative of TcdB using a conformational capture mechanism for substrate accommodation.

  17. Structure network analysis to gain insights into GPCR function.

    Science.gov (United States)

    Fanelli, Francesca; Felline, Angelo; Raimondi, Francesco; Seeber, Michele

    2016-04-15

    G protein coupled receptors (GPCRs) are allosteric proteins whose functioning fundamentals are the communication between the two poles of the helix bundle. Protein structure network (PSN) analysis is one of the graph theory-based approaches currently used to investigate the structural communication in biomolecular systems. Information on system's dynamics can be provided by atomistic molecular dynamics (MD) simulations or coarse grained elastic network models paired with normal mode analysis (ENM-NMA). The present review article describes the application of PSN analysis to uncover the structural communication in G protein coupled receptors (GPCRs). Strategies to highlight changes in structural communication upon misfolding, dimerization and activation are described. Focus is put on the ENM-NMA-based strategy applied to the crystallographic structures of rhodopsin in its inactive (dark) and signalling active (meta II (MII)) states, highlighting changes in structure network and centrality of the retinal chromophore in differentiating the inactive and active states of the receptor. PMID:27068978

  18. An Aeroelastic Analysis of a Thin Flexible Membrane

    Science.gov (United States)

    Scott, Robert C.; Bartels, Robert E.; Kandil, Osama A.

    2007-01-01

    Studies have shown that significant vehicle mass and cost savings are possible with the use of ballutes for aero-capture. Through NASA's In-Space Propulsion program, a preliminary examination of ballute sensitivity to geometry and Reynolds number was conducted, and a single-pass coupling between an aero code and a finite element solver was used to assess the static aeroelastic effects. There remain, however, a variety of open questions regarding the dynamic aeroelastic stability of membrane structures for aero-capture, with the primary challenge being the prediction of the membrane flutter onset. The purpose of this paper is to describe and begin addressing these issues. The paper includes a review of the literature associated with the structural analysis of membranes and membrane utter. Flow/structure analysis coupling and hypersonic flow solver options are also discussed. An approach is proposed for tackling this problem that starts with a relatively simple geometry and develops and evaluates analysis methods and procedures. This preliminary study considers a computationally manageable 2-dimensional problem. The membrane structural models used in the paper include a nonlinear finite-difference model for static and dynamic analysis and a NASTRAN finite element membrane model for nonlinear static and linear normal modes analysis. Both structural models are coupled with a structured compressible flow solver for static aeroelastic analysis. For dynamic aeroelastic analyses, the NASTRAN normal modes are used in the structured compressible flow solver and 3rd order piston theories were used with the finite difference membrane model to simulate utter onset. Results from the various static and dynamic aeroelastic analyses are compared.

  19. Helicity-based particle-relabeling operator and normal mode expansion of the dissipationless incompressible Hall magnetohydrodynamics.

    Science.gov (United States)

    Araki, Keisuke

    2015-12-01

    The dynamics of an incompressible, dissipationless Hall magnetohydrodynamic medium are investigated from Lagrangian mechanical viewpoint. The hybrid and magnetic helicities are shown to emerge, respectively, from the application of the particle relabeling symmetry for ion and electron flows to Noether's first theorem, while the constant of motion associated with the theorem is generally given by their arbitrary linear combination. Furthermore, integral path variation associated with the invariant action is expressed by the operation of an integrodifferential operator on the reference path. The eigenfunctions of this operator are double Beltrami flows, i.e., force-free stationary solutions to the equation of motion and provide a family of orthogonal function bases that yields the spectral representation of the equation of motion with a remarkably simple form. Among the double Beltrami flows, considering the influence of a uniform background magnetic field and the Hall term effect vanishing limit, the generalized Elsässer variables are found to be the most suitable for avoiding problems with singularities in the standard magnetohydrodynamic limit. PMID:26764837

  20. Dynamical response of the "GGG" rotor to test the Equivalence Principle: theory, simulation and experiment. Part I: the normal modes

    CERN Document Server

    Comandi, G L; Chiofalo, M L; Nobili, A M; Polacco, E; Toncelli, R

    2006-01-01

    Recent theoretical work suggests that violation of the Equivalence Principle might be revealed in a measurement of the fractional differential acceleration $\\eta$ between two test bodies -of different composition, falling in the gravitational field of a source mass- if the measurement is made to the level of $\\eta\\simeq 10^{-13}$ or better. This being within the reach of ground based experiments, gives them a new impetus. However, while slowly rotating torsion balances in ground laboratories are close to reaching this level, only an experiment performed in low orbit around the Earth is likely to provide a much better accuracy. We report on the progress made with the "Galileo Galilei on the Ground" (GGG) experiment, which aims to compete with torsion balances using an instrument design also capable of being converted into a much higher sensitivity space test. In the present and following paper (Part I and Part II), we demonstrate that the dynamical response of the GGG differential accelerometer set into superc...

  1. Anatomy of the binary black hole recoil: A multipolar analysis

    CERN Document Server

    Schnittman, Jeremy D; van Meter, James R; Baker, John G; Boggs, William D; Centrella, Joan; Kelly, Bernard J; McWilliams, Sean T

    2007-01-01

    We present a multipolar analysis of the gravitational recoil computed in recent numerical simulations of binary black hole (BH) coalescence, for both unequal masses and non-zero, non-precessing spins. We show that multipole moments up to and including l=4 are sufficient to accurately reproduce the final recoil velocity (within ~2%) and that only a few dominant modes contribute significantly to it (within ~5%). We describe how the relative amplitudes, and more importantly, the relative phases, of these few modes control the way in which the recoil builds up throughout the inspiral, merger, and ringdown phases. We also find that the numerical results can be reproduced by an ``effective Newtonian'' formula for the multipole moments obtained by replacing the radial separation in the Newtonian formulae with an effective radius computed from the numerical data. Beyond the merger, the numerical results are reproduced by a superposition of three Kerr quasi-normal modes (QNMs). Analytic formulae, obtained by expressin...

  2. Flexibility Analysis of Bacillus thuringiensis Cry1Aa

    Institute of Scientific and Technical Information of China (English)

    ZHAO Xin Min; XIA Li Qiu; YANG Xiao Ping; PENG Xiao Yun

    2015-01-01

    Objective To investigate the flexibility and mobility of the Bacillus thuringiensis toxin Cry1Aa. Methods The graph theory-based program Constraint Network Analysis and normal mode-based program NMsim were used to analyze the global and local flexibility indices as well as the fluctuation of individual residues in detail. Results The decrease in Cry1Aa network rigidity with the increase of temperature was evident. Two phase transition points in which the Cry1Aa structure lost rigidity during the thermal simulation were identified. Two rigid clusters were found in domains I and II. Weak spots were found in C-terminal domain III. Several flexible regions were found in all three domains;the largest residue fluctuation was present in the apical loop2 of domain II. Conclusion Although several flexible regions could be found in all the three domains, the most flexible regions were in the apical loops of domain II.

  3. An eigenvalue analysis of finite-difference approximations for hyperbolic IBVPs

    Science.gov (United States)

    Warming, Robert F.; Beam, Richard M.

    1990-01-01

    The eigenvalue spectrum associated with a linear finite-difference approximation plays a crucial role in the stability analysis and in the actual computational performance of the discrete approximation. The eigenvalue spectrum associated with the Lax-Wendroff scheme applied to a model hyperbolic equation was investigated. For an initial-boundary-value problem (IBVP) on a finite domain, the eigenvalue or normal mode analysis is analytically intractable. A study of auxiliary problems (Dirichlet and quarter-plane) leads to asymptotic estimates of the eigenvalue spectrum and to an identification of individual modes as either benign or unstable. The asymptotic analysis establishes an intuitive as well as quantitative connection between the algebraic tests in the theory of Gustafsson, Kreiss, and Sundstrom and Lax-Richtmyer L (sub 2) stability on a finite domain.

  4. Non-modal linear stability analysis of miscible viscous fingering in a Hele-Shaw cell

    CERN Document Server

    Hota, Tapan Kumar; Mishra, Manoranjan

    2015-01-01

    For miscible viscous fingering (VF) in a Hele-Shaw cell or in two dimensional homogeneous porous media, the transient growth of disturbances is investigated by non-modal linear stability analysis (NMA). Due to the non-autonomous nature of the linearized perturbed equations, the linear stability theory prohibits using the normal mode analysis. The linearized perturbed equations for Darcy's law coupled with a convection-diffusion equation is discretized using finite difference method. The resultant matrix valued initial value problem is then solved by fourth order Runge-Kutta method, followed by a singular value decomposition (SVD) of the propagator matrix. We demonstrate the dominant perturbation that experiences the maximum amplification within the linear regime which lead to the transient growth. This feature was previously unattained in the existing linear stability methods for miscible VF. To explore the relevance of the optimal perturbation obtained from non-modal analysis of the physical system, we perfo...

  5. Fast dynamics perturbation analysis for prediction of protein functional sites

    Directory of Open Access Journals (Sweden)

    Cohn Judith D

    2008-01-01

    Full Text Available Abstract Background We present a fast version of the dynamics perturbation analysis (DPA algorithm to predict functional sites in protein structures. The original DPA algorithm finds regions in proteins where interactions cause a large change in the protein conformational distribution, as measured using the relative entropy Dx. Such regions are associated with functional sites. Results The Fast DPA algorithm, which accelerates DPA calculations, is motivated by an empirical observation that Dx in a normal-modes model is highly correlated with an entropic term that only depends on the eigenvalues of the normal modes. The eigenvalues are accurately estimated using first-order perturbation theory, resulting in a N-fold reduction in the overall computational requirements of the algorithm, where N is the number of residues in the protein. The performance of the original and Fast DPA algorithms was compared using protein structures from a standard small-molecule docking test set. For nominal implementations of each algorithm, top-ranked Fast DPA predictions overlapped the true binding site 94% of the time, compared to 87% of the time for original DPA. In addition, per-protein recall statistics (fraction of binding-site residues that are among predicted residues were slightly better for Fast DPA. On the other hand, per-protein precision statistics (fraction of predicted residues that are among binding-site residues were slightly better using original DPA. Overall, the performance of Fast DPA in predicting ligand-binding-site residues was comparable to that of the original DPA algorithm. Conclusion Compared to the original DPA algorithm, the decreased run time with comparable performance makes Fast DPA well-suited for implementation on a web server and for high-throughput analysis.

  6. NASTRAN component-mode synthesis

    Science.gov (United States)

    Guyan, R. J.

    1976-01-01

    Procedure for dynamic substructuring analysis technique is generally as follows: calculation of component modes; selection of component normal modes, calculation of component generalized matrices, assembly of system matrices, and computation of normal modes; and retrieval of component response.

  7. Finite element analysis of dynamic response and structure borne noise of gearbox

    Institute of Scientific and Technical Information of China (English)

    LIU Wen; LIN Teng-jiao; LI Run-fang; DU Xue-song

    2007-01-01

    A dynamic finite element method combined with finite element mixed formula for contact problem is used to analyze the dynamic characteristics of gear system. Considering the stiffness excitation, error excitation and meshing shock excitation, the dynamic finite element model is established for the entire gear system which includes gears, shafts, bearings and gearbox housing. By the software of I-DEAS, the natural frequency, normal mode, dynamic time-domain response, frequency-domain response and one-third octave velocity grade structure borne noise of gear system are studied by the method of theoretical modal analysis and dynamic response analysis. The maximum values of vibration and structure borne noise are occurred at the mesh frequency of output grade gearing.

  8. Analysis

    CERN Document Server

    Maurin, Krzysztof

    1980-01-01

    The extraordinarily rapid advances made in mathematics since World War II have resulted in analysis becoming an enormous organism spread­ ing in all directions. Gone for good surely are the days of the great French "courses of analysis" which embodied the whole of the "ana­ lytical" knowledge of the times in three volumes-as the classical work of Camille Jordan. Perhaps that is why present-day textbooks of anal­ ysis are disproportionately modest relative to the present state of the art. More: they have "retreated" to the state before Jordan and Goursat. In recent years the scene has been changing rapidly: Jean Dieudon­ ne is offering us his monumentel Elements d'Analyse (10 volumes) written in the spirit of the great French Course d'Analyse. To the best of my knowledge, the present book is the only one of its size: starting from scratch-from rational numbers, to be precise-it goes on to the theory of distributions, direct integrals, analysis on com­ plex manifolds, Kahler manifolds, the theory of sheave...

  9. Analysis

    Science.gov (United States)

    Abdelazeem, Maha; El-Sawy, El-Sawy K.; Gobashy, Mohamed M.

    2013-06-01

    Ar Rika fault zone constitutes one of the two major parts of the NW-SE Najd fault system (NFS), which is one of the most prominent structural features located in the east of the center of the Arabian Shield, Saudi Arabia. By using Enhancement Thematic Mapper data (ETM+) and Principle Component Analysis (PCA), surface geological characteristics, distribution of rock types, and the different trends of linear features and faults are determined in the study area. First and second order magnetic gradients of the geomagnetic field at the North East of Wadi Ar Rika have been calculated in the frequency domain to map both surface and subsurface lineaments and faults. Lineaments as deduced from previous studies, suggest an extension of the NFS beneath the cover rocks in the study area. In the present study, integration of magnetic gradients and remote sensing analysis that resulted in different valuable derivative maps confirm the subsurface extension of some of the surface features. The 3D Euler deconvolution, the total gradient, and the tilt angle maps have been utilized to determine accurately the distribution of shear zones, the tectonic implications, and the internal structures of the terranes in the Ar Rika quadrangle in three dimensions.

  10. linear stability analysis of coriolis force on ferrothermohaline convection saturating an anisotropic porous medium with Soret effect

    Directory of Open Access Journals (Sweden)

    R. Sekar

    2013-05-01

    Full Text Available Instability of themocovection in a multi-component fluid has wide range of applications in ionospheric, geothermal and industries. In this analysis, the effect of rotation and vertical anisotropy on Soret-driven thermoconvective instability in a ferrofluid has been studied. The fluid layer is assumed to be horizontal and is heated from below and salted from above. In momentum equation, the effect of both substantial derivatives and coriolis terms are considered. The resulting eigen value problem is solved using Brinkman model. A linear stability analysis is used for both stationary and oscillatory instabilities for different parameters for which normal mode technique is applied. The effect of rotation tends to stabilize the system and anisotropy and Soret effects tend to destabilize the system.

  11. Stability analysis of soret effect on thermohaline convection in dusty ferrofluid saturating a Darcy porous medium

    Directory of Open Access Journals (Sweden)

    R. Sekar

    2015-02-01

    Full Text Available The Soret–driven ferro thermoconvective instability of multi–component fluid in a porous medium heated from below and salted from above in the presence of dust particles subjected to a transverse uniform magnetic field has been analyzed using Darcy model for various values of permeability of the porous medium. The salinity effect has been contained in magnetization and density of the ferrofluid. A small thermal perturbation imparted on the basic state and a linear stability analysis is used for this model for which normal mode technique is applied. An exact solution is obtained for the case of two free boundaries and both stationary and oscillatory instabilities have been investigated. It is found that the system destabilizes only through stationary mode. The non-buoyancy magnetization parameter, the dust particle parameter and the permeability of the porous medium are found to destabilize the system. The results are depicted graphically.

  12. IAC - INTEGRATED ANALYSIS CAPABILITY

    Science.gov (United States)

    Frisch, H. P.

    1994-01-01

    Integration via Mesh Interpolation Coefficients), which transforms field values from one model to another; LINK, which simplifies incorporation of user specific modules into IAC modules; and DATAPAC, the National Bureau of Standards statistical analysis package. The IAC database contains structured files which provide a common basis for communication between modules and the executive system, and can contain unstructured files such as NASTRAN checkpoint files, DISCOS plot files, object code, etc. The user can define groups of data and relations between them. A full data manipulation and query system operates with the database. The current interface modules comprise five groups: 1) Structural analysis - IAC contains a NASTRAN interface for standalone analysis or certain structural/control/thermal combinations. IAC provides enhanced structural capabilities for normal modes and static deformation analysis via special DMAP sequences. IAC 2.5 contains several specialized interfaces from NASTRAN in support of multidisciplinary analysis. 2) Thermal analysis - IAC supports finite element and finite difference techniques for steady state or transient analysis. There are interfaces for the NASTRAN thermal analyzer, SINDA/SINFLO, and TRASYS II. FEMNET, which converts finite element structural analysis models to finite difference thermal analysis models, is also interfaced with the IAC database. 3) System dynamics - The DISCOS simulation program which allows for either nonlinear time domain analysis or linear frequency domain analysis, is fully interfaced to the IAC database management capability. 4) Control analysis - Interfaces for the ORACLS, SAMSAN, NBOD2, and INCA programs allow a wide range of control system analyses and synthesis techniques. Level 2.5 includes EIGEN, which provides tools for large order system eigenanalysis, and BOPACE, which allows for geometric capabilities and finite element analysis with nonlinear material. Also included in IAC level 2.5 is SAMSAN 3.1, an

  13. Synthesis, molecular structure, spectral analysis, natural bond order and intramolecular interactions of 2-acetylpyridine thiosemicarbazone: A combined DFT and AIM approach

    Science.gov (United States)

    Singh, Ravindra Kumar; Singh, Ashok Kumar

    2015-08-01

    2-Acetylpyridine thiosemicarbazone was synthesized and characterized by elemental analysis, 1H, 13C NMR, IR, UV and ESI-MS mass spectrometry. Quantum chemical calculations have been performed at DFT level of theory using B3LYP functional and 6-31G (d, p) as basis set. Potential energy distribution (PED) for the normal modes of vibrations was done using Gar2ped program. The time dependent density functional theory (TD-DFT) was used to assign the various electronic transitions within molecule in gas as well as solvent phase. Non linear optical (NLO) behavior of title compound was investigated by the computed value of first hyperpolarizability (β0). Stability of molecule as a result of hyperconjugative interactions and electron delocalization was analyzed using NBO analysis. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. Intramolecular interactions were analyzed by AIM approach. The chemical reactivity descriptors were calculated to study the reactive sites within molecule.

  14. Stability analysis of the Gravito-Electrostatic Sheath-based solar plasma equilibrium

    Science.gov (United States)

    Karmakar, P. K.; Goutam, H. P.; Lal, M.; Dwivedi, C. B.

    2016-08-01

    We present approximate solutions of non-local linear perturbational analysis for discussing the stability properties of the Gravito-Electrostatic Sheath (GES)-based solar plasma equilibrium, which is indeed non-uniform on both the bounded and unbounded scales. The relevant physical variables undergoing perturbations are the self-solar gravity, electrostatic potential and plasma flow along with plasma population density. We methodologically derive linear dispersion relation for the GES fluctuations, and solve it numerically to identify and characterize the existent possible natural normal modes. Three distinct natural normal modes are identified and named as the GES-oscillator mode, GES-wave mode and usual (classical) p-mode. In the solar wind plasma, only the p-mode survives. These modes are found to be linearly unstable in wide-range of the Jeans-normalized wavenumber, k. The local plane-wave approximation marginally limits the validity or reliability of the obtained results in certain radial- and k-domains only. The phase and group velocities, time periods of these fluctuation modes are investigated. It is interesting to note that, the oscillation time periods of these modes are 3-10 min, which match exactly with those of the observed helio-seismic waves and solar surface oscillations. The proposed GES model provides a novel physical view of the waves and oscillations of the Sun from a new perspective of plasma-wall interaction physics. Due to simplified nature of the considered GES equilibrium, it is a neonatal stage to highlight its applicability in the real Sun. The proposed GES model and subsequent fluctuation analysis need further improvements to make it more realistic.

  15. Novel zinc(II) and copper(II) complexes of a Mannich base derived from lawsone: Synthesis, single crystal X-ray analysis, ab initio density functional theory calculations and vibrational analysis.

    Science.gov (United States)

    Neves, Amanda P; Vargas, Maria D; Téllez Soto, Claudio A; Ramos, Joanna M; Visentin, Lorenzo do C; Pinheiro, Carlos B; Mangrich, Antônio S; de Rezende, Edivaltrys I P

    2012-08-01

    Zinc(II) and copper(II) complexes of a tridentate Mannich base L1 derived from 2-hydroxy-1,4-naphthoquinone, pyridinecarboxyaldehyde and 2-aminomethylpyridine, [ZnL1Cl(2)]·H(2)O 1 and [CuL1Cl(2)]·2H(2)O 2, have been synthesized and fully characterized. The structure of complex 1 has been elucidated by a single crystal X-ray diffraction study: the zinc atom is pentacoordinate and the coordination geometry is a distorted square base pyramid, with a geometric structural parameter τ equal to 0.149. Vibrational spectroscopy and ab initio DFT calculations of both compounds have confirmed that the two complexes exhibit similar structures. Full assignment of the vibrational spectra was also supported by careful analysis of the distorted geometries generated by the normal modes. PMID:22513170

  16. Stability analysis of the pulmonary liquid bilayer.

    Science.gov (United States)

    Halpern, David; Grotberg, James

    2010-11-01

    The lung consists of liquid-lined compliant airways that convey air to and from the alveoli where gas exchange takes place. Because the airways are coated with a bilayer consisting of a mucus layer on top of a periciliary fluid layer, a surface tension instability can generate flows within the bilayer and induce the formation of liquid plugs that block the passage of air. This is a problem for example with premature neonates whose lungs do not produce sufficient quantities of surfactant and suffer from respiratory distress syndrome. To study this instability a system of coupled nonlinear evolution equations are derived using lubrication theory for the thicknesses of the two liquid layers which are assumed to be Newtonian. A normal mode analysis is used to investigate the initial growth of the disturbances, and reveals how the grow rate is affected by the ratio of viscosities λ, film thicknesses η and surface tensions δ of the two layers which can change by disease. Numerical solutions of the evolution equations show that there is a critical bilayer thickness ɛc above which closure occurs, and that a more viscous and thicker layer compared to the periciliary layer closes more slowly. However, ɛcis weakly dependent on λ, η and δ. We also examine the potential impact of wall shear stress and normal stress on cell damage. This work is funded by NIH HL85156.

  17. Simple Elastic Network Models for Exhaustive Analysis of Long Double-Stranded DNA Dynamics with Sequence Geometry Dependence.

    Directory of Open Access Journals (Sweden)

    Shuhei Isami

    Full Text Available Simple elastic network models of DNA were developed to reveal the structure-dynamics relationships for several nucleotide sequences. First, we propose a simple all-atom elastic network model of DNA that can explain the profiles of temperature factors for several crystal structures of DNA. Second, we propose a coarse-grained elastic network model of DNA, where each nucleotide is described only by one node. This model could effectively reproduce the detailed dynamics obtained with the all-atom elastic network model according to the sequence-dependent geometry. Through normal-mode analysis for the coarse-grained elastic network model, we exhaustively analyzed the dynamic features of a large number of long DNA sequences, approximately ∼150 bp in length. These analyses revealed positive correlations between the nucleosome-forming abilities and the inter-strand fluctuation strength of double-stranded DNA for several DNA sequences.

  18. Simple Elastic Network Models for Exhaustive Analysis of Long Double-Stranded DNA Dynamics with Sequence Geometry Dependence

    CERN Document Server

    Isami, Shuhei; Nishimori, Hiraku; Awazu, Akinori

    2015-01-01

    Simple elastic network models of DNA were developed to reveal the structure-dynamics relationships for several nucleotide sequences. First, we propose a simple all-atom elastic network model of DNA that can explain the profiles of temperature factors for several crystal structures of DNA. Second, we propose a coarse-grained elastic network model of DNA, where each nucleotide is described only by one node. This model could effectively reproduce the detailed dynamics obtained with the all-atom elastic network model according to the sequence-dependent geometry. Through normal-mode analysis for the coarse-grained elastic network model, we exhaustively analyzed the dynamic features of a large number of long DNA sequences, approximately $\\sim 150$ bp in length. These analyses revealed positive correlations between the nucleosome-forming abilities and the inter-strand fluctuation strength of double-stranded DNA for several DNA sequences.

  19. Non-extremal Reissner-Nordström black hole: do asymptotic quasi-normal modes carry information about the quantum properties of the black hole?

    Science.gov (United States)

    Skákala, Jozef

    2012-01-01

    We analyze the largely accepted formulas for the asymptotic quasi-normal frequencies of the non-extremal Reissner-Nordström black hole, (for the electromagnetic-gravitational/scalar perturbations). We focus on the question of whether the gap in the spacing in the imaginary part of the QNM frequencies has a well defined limit as n goes to infinity and if so, what is the value of the limit. The existence and the value of this limit has a crucial importance from the point of view of the currently popular Maggiore's conjecture, which represents a way of connecting the asymptotic behavior of the quasi-normal frequencies to the black hole thermodynamics. With the help of previous results and insights we will prove that the gap in the imaginary part of the frequencies does not converge to any limit, unless one puts specific constraints on the ratio of the two surface gravities related to the two spacetime horizons. Specifically the constraints are that the ratio of the surface gravities must be rational and such that it is given by two relatively prime integers n ± whose product is an even number. If the constraints are fulfilled the limit of the sequence is still not guaranteed to exist, but if it exists its value is given as the lowest common multiplier of the two surface gravities. At the end of the paper we discuss the possible implications of our results.

  20. Substructure Normal Modes Selection Method for Component Mode Synthesis%模态综合的子结构主模态截断方法

    Institute of Scientific and Technical Information of China (English)

    李兴泉; 邓兆祥; 李传兵; 章竟成; 李英强

    2014-01-01

    为了减少固定界面模态综合方法中保留的子结构主模态数,分别采用频率截断和有效模态质量截断两种方法进行截断,分析两种方法的适用性,最终得到适合结构低频动态特性计算的主模态截断方法.计算结果表明:频率截断法保留的主模态不到有效质模态量截断法的1/2,采用2~3倍的最高关心频率进行主模态截断,能保证结构低频动态特性计算具有较高的精度,所保留的主模态,更能反应子结构在关心频率范围内系统振动的变形模式;有效模态质量法不能判断各子结构间主模态对系统动态特性作用的相对大小,这使小尺寸高刚度的子结构保留多余的模态,其计算效率较低.

  1. Three-dimensional integral equation approach to light scattering, extinction cross sections, local density of states, and quasi-normal modes

    DEFF Research Database (Denmark)

    de Lasson, Jakob Rosenkrantz; Mørk, Jesper; Kristensen, Philip Trøst

    2013-01-01

    We present a numerical formalism for solving the Lippmann–Schwinger equation for the electric field in three dimensions. The formalism may be applied to scatterers of different shapes and embedded in different background media, and we develop it in detail for the specific case of spherical scatte...

  2. Anatomy of the Binary Black Hole Recoil: A Multipolar Analysis

    Science.gov (United States)

    Schnittman, Jeremy; Buonanno, Alessandra; vanMeter, James R.; Baker, John G.; Boggs, William D.; Centrella, Joan; Kelly, Bernard J.; McWilliams, Sean T.

    2007-01-01

    We present a multipolar analysis of the recoil velocity computed in recent numerical simulations of binary black hole coalescence, for both unequal masses and non-zero, non-precessing spins. We show that multipole moments up to and including 1 = 4 are sufficient to accurately reproduce the final recoil velocity (= 98%) and that only a few dominant modes contribute significantly to it (2 95%). We describe how the relative amplitude, and more importantly, the relative phase, of these few modes control the way in which the recoil builds up throughout the inspiral, merger, and ring-down phases. We also find that the numerical results can be reproduced, to a high level of accuracy, by an effective Newtonian formula for the multipole moments obtained by replacing in the Newtonian formula the radial separation with an effective radius computed from the numerical data. Beyond the merger, the numerical results are reproduced by a superposition of three Kerr quasi-normal modes. Analytic formulae, obtained by expressing the multipole moments in terms of the fundamental QNMs of a Kerr BH, are able to explain the onset and amount of '.anti-kick" for each of the simulations. Lastly, we apply this multipolar analysis to understand the remarkable difference between the amplitudes of planar and non-planar kicks for equal-mass spinning black holes.

  3. A Multiple-Scale Analysis of Evaporation Induced Marangoni Convection

    KAUST Repository

    Hennessy, Matthew G.

    2013-04-23

    This paper considers the stability of thin liquid layers of binary mixtures of a volatile (solvent) species and a nonvolatile (polymer) species. Evaporation leads to a depletion of the solvent near the liquid surface. If surface tension increases for lower solvent concentrations, sufficiently strong compositional gradients can lead to Bénard-Marangoni-type convection that is similar to the kind which is observed in films that are heated from below. The onset of the instability is investigated by a linear stability analysis. Due to evaporation, the base state is time dependent, thus leading to a nonautonomous linearized system which impedes the use of normal modes. However, the time scale for the solvent loss due to evaporation is typically long compared to the diffusive time scale, so a systematic multiple scales expansion can be sought for a finite-dimensional approximation of the linearized problem. This is determined to leading and to next order. The corrections indicate that the validity of the expansion does not depend on the magnitude of the individual eigenvalues of the linear operator, but it requires these eigenvalues to be well separated. The approximations are applied to analyze experiments by Bassou and Rharbi with polystyrene/toluene mixtures [Langmuir, 25 (2009), pp. 624-632]. © 2013 Society for Industrial and Applied Mathematics.

  4. Squeal analysis of ventilated disc brake using ansys

    Directory of Open Access Journals (Sweden)

    Ahmed Abdel-Naser, Ibrahim Ahmed, Essam Allam, Sabry Allam, Shawki Abouel-seoud

    2012-01-01

    Full Text Available It is well-known that automobile brakes can generate several kinds of noises. Among them is squeal, a noise in the 1-15 kHz range. It is commonly accepted that brake squeal is initiated by instability due to the friction forces, leading to self excited vibrations. To predict the onset of brake instability, a modal analysis of the prestressed structure can be performed on an improved dynamic finite element model of ventilated disc brake with friction coupling. An unsymmetric stiffness matrix is a result of the friction coupling between the brake pad and disc; this may lead to complex eigenfrequencies. The complex eigenvalue method (Unsymmetric solver used to analyse mode shapes associated with the predicted natural frequency. Creating the element of Matrix27 between the ventilated disc and pad was very important in studying the squeal of the coupled ventilated disc brake. The results demonstrated that the FEM for the coupled ventilated rotor and pad showed a good interaction between the non-linear contact and the linear modal analysis. Furthermore, the unsymmetric solver showed that the modes of the coupled disc-pad contained two types of mode. The first type was normal mode, which did not contain an imaginary part while the second type was complex mode that contained real and imaginary parts. Moreover, complex eigenvalue analysis predicted always more unstable modes than the number of squeal frequencies that really occur in the brake system. The maximum squeal index was observed at mode 16 and at frequency of 4083 Hz with instability of 480 sec-1. However; the tendency of instability (TOI for the system at contact stiffness of 1 GN/m was 59 that gave the lowest instability of the system.

  5. Nonlinear stability analysis of the thin pseudoplastic liquid film flowing down along a vertical wall

    International Nuclear Information System (INIS)

    This article investigates the weakly nonlinear stability theory of a thin pseudoplastic liquid film flowing down on a vertical wall. The long-wave perturbation method is employed to solve for generalized nonlinear kinematic equation with free film interface. The normal mode approach is used to compute the linear stability solution for the film flow. The method of multiple scales is then used to obtain the weak nonlinear dynamics of the film flow for stability analysis. It is shown that the necessary condition for the existence of such a solution is governed by the Ginzburg - Landau equation. The modeling results indicate that both subcritical instability and supercritical stability conditions are possible to occur in a pseudoplastic film flow system. The results also reveal that the pseudoplastic liquid film flows are less stable than Newtonian's as traveling down along the vertical wall. The degree of instability in the film flow is further intensified by decreasing the flow index n. [copyright] 2001 American Institute of Physics

  6. Vibrational Spectroscopic Investigation and Conformational Analysis of Methacrylamidoantipyrine: A Comparative Density Functional Study

    Directory of Open Access Journals (Sweden)

    Özgür Alver

    2013-01-01

    Full Text Available FT-IR and Raman spectra of methacrylamidoantipyrine (MAAP have been reported in the region of 4000–10 cm−1 and 4000–100 cm−1, respectively. The optimized geometric parameters, conformational analysis, normal mode frequencies, and corresponding vibrational assignments of MAAP (C15H17N3O2 have been examined by means of density functional theory (DFT method using the Becke-3-Lee-Yang-Parr (B3LYP exchange-correlation functional and the 6-31G++(d,p basis sets. Vibrational assignments have been made on the basis of potential energy distribution (PED and the thermodynamics functions, and the highest occupied and the lowest unoccupied molecular orbitals (HOMO and LUMO of MAAP have been predicted. Calculations are carried out with the possible seven (amide-1–5 and imide-1-2 conformational isomers of MAAP. Comparison between the experimental and theoretical results indicates that the B3LYP method provides satisfactory evidence for the prediction of vibrational wavenumbers, and the amide-1 conformational isomer is supposed to be the most stable form of MAAP.

  7. Effect of Coriolis force on thermomagnetic convection in a ferrofluid saturating porous medium: A weakly nonlinear stability analysis

    Energy Technology Data Exchange (ETDEWEB)

    Nanjundappa, C.E., E-mail: cenanju@hotmail.com [Department of Mathematics, Dr. Ambedkar Institute of Technology, Bangalore-560 056 (India); Shivakumara, I.S., E-mail: shivakumarais@gmail.com [Department of Mathematics, Bangalore University, Bangalore-560 001 (India); Prakash, H.N., E-mail: prakashahn83@gmail.com [Government Pre-University College, B H Road, Tumkur-572 102 (India)

    2014-12-15

    We investigate the influence of Coriolis force on the onset of thermomagnetic convection in ferrofluid saturating a porous layer in the presence of a uniform vertical magnetic field using both linear and weakly non-linear analyses. The modified Brinkman–Forchheimer-extended Darcy equation with Coriolis term has been used to describe the fluid flow. The linear theory based on normal mode method is considered to find the criteria for the onset of stationary thermomagnetic Convection and weakly non-linear analysis based on minimal representation of truncated Fourier series analysis containing only two terms has been used to find the Nusselt number Nu as functions of time. The range of thermal Rayleigh number R beyond which the bifurcation becomes subcritical increases with increasing Λ, Da{sup −1} and Ta. The global quantity of the heat transfer rate decreases by increasing the Taylor number Ta. The results obtained, during the above analyses, have been presented graphically and the effects of various parameters on heat and mass transfer have been discussed. Finally, we have drawn the steady streamlines for various parameters.

  8. IAC-1.5 - INTEGRATED ANALYSIS CAPABILITY

    Science.gov (United States)

    Vos, R. G.

    1994-01-01

    , object code, etc. The user can define groups of data and relations between them. A full data manipulation and query system operates with the database. The current interface modules comprise five groups: 1) Structural analysis - IAC contains a NASTRAN interface for standalone analysis or certain structural/control/thermal combinations. IAC provides enhanced structural capabilities for normal modes and static deformation analysis via special DMAP sequences. 2) Thermal analysis - IAC supports finite element and finite difference techniques for steady state or transient analysis. There are interfaces for the NASTRAN thermal analyzer, SINDA/SINFLO, and TRASYS II. 3) System dynamics - A DISCOS interface allows full use of this simulation program for either nonlinear time domain analysis or linear frequency domain analysis. 4) Control analysis - Interfaces for the ORACLS, SAMSAN, NBOD2, and INCA programs allow a wide range of control system analyses and synthesis techniques. 5) Graphics - The graphics packages PLOT and MOSAIC are included in IAC. PLOT generates vector displays of tabular data in the form of curves, charts, correlation tables, etc., while MOSAIC generates color raster displays of either tabular of array type data. Either DI3000 or PLOT-10 graphics software is required for full graphics capability. IAC is available by license for a period of 10 years to approved licensees. The licensed program product includes one complete set of supporting documentation. Additional copies of the documentation may be purchased separately. IAC is written in FORTRAN 77 and has been implemented on a DEC VAX series computer operating under VMS. IAC can be executed by multiple concurrent users in batch or interactive mode. The basic central memory requirement is approximately 750KB. IAC includes the executive system, graphics modules, a database, general utilities, and the interfaces to all analysis and controls programs described above. Source code is provided for the control

  9. Analysis of Tapered Acoustical Directional Couplers

    Institute of Scientific and Technical Information of China (English)

    CHENMing; TANGTiantong

    2005-01-01

    The linearly tapered acoustic directional coupler is analyzed. Its size parameters are given using the local normal mode theory as usually done for tapered optical directional couplers, and modeling of the characteristic for this coupler is performed, with help of the transfer matrix method based on coupled wave theory. The modeling results show that bandwidth of the coupler is about 4MHz, its fiat pass about 2MHz, and better sidelobe suppression than acoustic directional coupler with constant gap is obtained.

  10. Ab initio calculation and spectroscopic analysis of the intramolecular vibrational redistribution in 1,1,1,2-tetrafluoroiodoethane CF3CHFI

    Science.gov (United States)

    Pochert, Jörg; Quack, Martin; Stohner, Jürgen; Willeke, Martin

    2000-08-01

    We report a new mechanism for intramolecular vibrational redistribution (IVR) in CF3CHFI which couples the CH chromophore vibrations through a strong Fermi resonance to the formal CF stretching normal mode (a heavy atom frame mode) involving the trans F-atom across the CC bond. The analysis is made possible by comparing spectroscopic results with extensive ab initio calculations of the vibrational fundamental and overtone spectra in the range extending to 12 000 cm-1. Potential energy and electric dipole moment hypersurfaces are calculated ab initio by second order Møller-Plesset perturbation theory (MP2) on a grid involving the CH stretching, two CH bending modes and one high frequency CF stretching normal mode. The potentials are scaled to obtain agreement between the experimental spectrum and the theoretical spectrum calculated by a discrete variable representation technique on this grid. Both spectra are then analyzed in terms of three-dimensional (3D) and four-dimensional (4D) effective vibrational Hamiltonians including Fermi- and Darling-Dennison-type resonances between the CH stretching mode and the CH bending modes and the CF stretching mode. The interaction between the CH modes and the CF mode is clearly visible in the experimental and calculated (4D) spectra. The effective Fermi resonance coupling constants [ksff'≃(40±10) cm-1 and ksaf'≃(55±10) cm-1] coupling the CH and CF mode subspaces are of about the same magnitude as the intra-CH chromophore Fermi resonances (ksaa'≃56 cm-1 and ksbb'≃42 cm-1, coupling CH stretching mode "s" with the two CH bending modes "a" and "b"). The chiral, pseudo-Cs symmetry breaking coupling (ksab'≃11 cm-1) is complemented by an equally strong coupling through the CF mode (ksfb'≃15 cm-1). It is demonstrated that low order perturbation theoretical analysis using potential constants from a polynomial expansion to represent effective coupling constants gives inadequate results with discrepancies ranging about from

  11. Planetary Protection Bioburden Analysis Program

    Science.gov (United States)

    Beaudet, Robert A.

    2013-01-01

    -time continuous service that can go quiescent after periods of inactivity. The software can process 2 GB of telemetry and deliver Level 0 science products to the end user in four hours. It provides analysis tools so the operator can manage the system and troubleshoot problems. It automates telemetry processing in order to reduce staffing costs. This work was done by Alice Stanboli, Elmain M. Martinez, and James M. McAuley of Caltech for NASA's Jet Propulsion Laboratory. For more information, contact iaoffice @jpl.nasa.gov. This software is available for commercial licensing. Please contact Dan Broderick at Daniel.F. Broderick@jpl.nasa.gov. Refer to NPO-47803. NASA Tech Briefs, September 2013 29 This rapid response computer program predicts Orbiter Wing Leading Edge (WLE) damage caused by ice or foam impact during a Space Shuttle launch (Program "IMPACT2"). The program was developed after the Columbia accident in order to assess quickly WLE damage due to ice, foam, or metal impact (if any) during a Shuttle launch. IMPACT2 simulates an impact event in a few minutes for foam impactors, and in seconds for ice and metal impactors. The damage criterion is derived from results obtained from one sophisticated commercial program, which requires hours to carry out simulations of the same impact events. The program was designed to run much faster than the commercial program with prediction of projectile threshold velocities within 10 to 15% of commercial-program values. The mathematical model involves coupling of Orbiter wing normal modes of vibration to nonlinear or linear springmass models. IMPACT2 solves nonlinear or linear impact problems using classical normal modes of vibration of a target, and nonlinear/ linear time-domain equations for the projectile. Impact loads and stresses developed in the target are computed as functions of time. This model is novel because of its speed of execution. A typical model of foam, or other projectile characterized by material nonlinearities

  12. G 207-9 and LP 133-144: light-curve analysis and asteroseismology of two ZZ Ceti stars

    Science.gov (United States)

    Bognár, Zs.; Paparó, M.; Molnár, L.; Pápics, P. I.; Plachy, E.; Verebélyi, E.; Sódor, Á.

    2016-10-01

    G 207-9 and LP 133-144 are two rarely observed ZZ Ceti stars located in the middle and close to the blue edge of the ZZ Ceti instability domain, respectively. We aimed to observe them at least during one observing season at Konkoly Observatory with the purpose of extending the list of known pulsation modes for asteroseismic investigations and detect any significant changes in their pulsational behaviour. We determined five and three new normal modes of G 207-9 and LP 133-144, respectively. In LP 133-144, our frequency analysis also revealed that at least at three modes there are actually triplets with frequency separations of ˜ 4 μHz. The rotational period of LP 133-144 based on the triplets is ≃42 h. The preliminary asteroseismic fits of G 207-9 predict Teff = 12 000 or 12 400 K and M_{ast }=0.855-0.870 M_{⊙} values for the effective temperature and mass of the star, depending on the assumptions on the spherical degree (l) values of the modes. These results are in agreement with the spectroscopic determinations. In the case of LP 133-144, the best-fitting models prefer Teff = 11 800 K in effective temperature and M* ≥ 0.71 M⊙ stellar masses, which are more than 0.1 M⊙ larger than the spectroscopic value.

  13. G 207-9 and LP 133-144: light curve analysis and asteroseismology of two ZZ Ceti stars

    CERN Document Server

    Bognár, Zs; Molnár, L; Pápics, P I; Plachy, E; Verebélyi, E; Sódor, Á

    2016-01-01

    G 207-9 and LP 133-144 are two rarely observed ZZ Ceti stars located in the middle and close to the blue edge of the ZZ Ceti instability domain, respectively. We aimed to observe them at least during one observing season at Konkoly Observatory with the purpose of extending the list of known pulsation modes for asteroseismic investigations and detect any significant changes in their pulsational behaviour. We determined five and three new normal modes of G 207-9 and LP 133-144, respectively. In LP 133-144, our frequency analysis also revealed that at least at three modes there are actually triplets with frequency separations of ~4 microHz. The rotational period of LP 133-144 based on the triplets is ~42 h. The preliminary asteroseismic fits of G 207-9 predict Teff=12 000 or 12 400 K and M*=0.855-0.870 MSun values for the effective temperature and mass of the star, depending on the assumptions on the spherical degree (l) values of the modes. These results are in agreement with the spectroscopic determinations. I...

  14. Finite Element Modeling and Free Vibration Analysis of Functionally Graded Nanocomposite Beams Reinforced by Randomly Oriented Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    Benedict Thomas

    2013-12-01

    Full Text Available This article deals with the finite element modeling and free vibration analysis of functionally graded nanocomposite beams reinforced by randomly oriented straight single-walled carbon nanotubes (SWCNTs. Nanostructural materials can be used to alter mechanical, thermal and electrical properties of polymer-based composite materials, because of their superior properties and perfect atom arrangement. Timoshenko beam theory is used to evaluate dynamic characteristics of the beam. The Eshelby–Mori–Tanaka approach based on an equivalent fiber is used to investigate the material properties of the beam. The equations of motion are derived by using Hamilton’s principle. The finite element method is employed to discretize the model and obtain a numerical approximation of the motion equation. Different SWCNTs distributions in the thickness direction are introduced to improve fundamental natural frequency and dynamic behavior of uniform functionally graded nanocomposite beam. Results are presented in tabular and graphical forms to show the effects of various material distributions, carbon nanotube orientations, shear deformation, slenderness ratios and boundary conditions on the dynamic behavior of the beam. The first five normalized mode shapes for functionally graded carbon nanotube reinforced composite (FG-CNTRC beams with different boundary conditions and different carbon nanotubes (CNTs orientation are presented. The results show that the above mentioned effects play very important role on the dynamic behavior of the beam.

  15. Spectroscopic investigation of 4-nitro-3-(trifluoromethyl)aniline, NBO analysis with 4-nitro-3-(trichloromethyl)aniline and 4-nitro-3-(tribromomethyl)aniline

    Science.gov (United States)

    Saravanan, S.; Balachandran, V.; Viswanathan, K.

    2014-03-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of 4-nitro-3-(trifluoromethyl)aniline (NTFA) were recorded in the regions 4000-400 cm-1 and 3500-100 cm-1, respectively. Utilizing the observed FT-IR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compounds was carried out. Extensive studies on the vibrational, structural, thermodynamic characteristics as well as the electronic properties of NTFA were carried out using ab initio and DFT methods. In this kind of systems, the position of the substituent group in the benzene ring as well as its electron donor-acceptor capabilities play a very important role on the molecular and electronic properties. The values of the total dipole moment (μ) and the first order hyperpolarizability (β) were computed using B3LYP/6-311++G(d,p) and B3LYP/6-311G(d) calculations. The Mulliken's charges, the natural bonding orbital (NBO) analysis on 4-nitro-3-(trifluoromethyl)aniline, 4-nitro-3-(trichloromethyl)aniline and 4-nitro-3-tribromomethyl)aniline were carried out for various intramolecular interactions that are responsible for the stabilization of the molecule. Thermodynamic functions of the investigated molecule were also computed. The calculated HOMO-LUMO energies show that charge transfer occurs in the molecule. The influence of fluorine, amino and nitro group on the geometry of benzene and its normal modes of vibrations has also been discussed.

  16. Analysis and Design of Three-Line Microstrip Couplers on Anisotropic Substrates

    Science.gov (United States)

    Yu, Lukang

    The behavior of guided modes and their associated properties of three-line microstrip couplers on anisotropic substrates are investigated in this dissertation. The wave propagation on these lines is described by three normal modes modified by the mutual coupling between the lines under the quasi-TEM assumption. The conditions for the equalization of the mode impedances and phase velocities, and the matching and isolation of the coupler ports are derived using the normal-mode characteristics and six-port scattering parameters. The use of dielectric anisotropy is suggested as a means to improve the coupler directivity degraded by the structural inhomogeneity. Analytical results based on the coupled-mode formulation are summarized. The Green's function for the microstrip configuration is derived to transform an anisotropic problem into an isotropic problem. The normal-mode characteristics of the coupler are determined from the structural capacitances. Effects due to strip -thickness, loss and dispersion are dealt with. The design equations for symmetrical lines are derived. The existence of an ideal six-port directional coupler is proved and the singular behavior of the normal-mode parameters occurring at the critical point of coupling-coefficient equalization is examined. Typical applications of three-line microstrip couplers in microwave integrated circuits are discussed with simulation results. Experimental results of a coupler fabricated on an Epsilam-10 substrate are presented for the verification of the theoretical findings.

  17. Molecular structure, vibrational, UV, NMR, HOMO-LUMO, MEP, NLO, NBO analysis of 3,5 di tert butyl 4 hydroxy benzoic acid

    Science.gov (United States)

    Mathammal, R.; Sangeetha, K.; Sangeetha, M.; Mekala, R.; Gadheeja, S.

    2016-09-01

    In this study, we report a combined experimental and theoretical study on molecular structure and vibrational spectra of 3,5 di tert butyl 4 hydroxy benzoic acid. The properties of title compound have been evaluated by quantum chemical calculation (DFT) using B3LYP functional and 6-31 + G (d, p) as basis set. IR Spectra has been recorded using Fourier transform infrared spectroscopy (FT-IR) in the region 4000-400 cm-1. The vibrational assignment of the calculated normal modes has been made on the basis set. The isotropic chemical shifts computed by 13C and 1H NMR (Nuclear Magnetic Resonance) analyses also show good agreement with experimental observations. The theoretical UV-Vis spectrum of the compound are used to study the visible absorption maxima (λ max). The structure activity relationship have been interpreted by mapping electrostatic potential surface (MEP), which is valuable information for the quality control of medicines and drug receptor interactions. The Mullikan charges, HOMO (Highest Occupied Molecular Orbital) - LUMO (Lowest Unoccupied Molecular Orbital) energy are analyzed. HOMO-LUMO energy gap and other related molecular properties are also calculated. The Natural Bond Orbital (NBO) analysis is carried out to investigate the various intra and inter molecular interactions of molecular system. The Non-linear optical properties such as dipole moment (μ), polarizability (αtot) and molecular first order hyperpolarizability (β) of the title compound are computed with B3LYP/6-31 + G (d,p) level of theory.

  18. Analysis of the S{sub 2}←S{sub 0} vibronic spectrum of the ortho-cyanophenol dimer using a multimode vibronic coupling approach

    Energy Technology Data Exchange (ETDEWEB)

    Kopec, Sabine; Köppel, Horst [Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany); Ottiger, Philipp; Leutwyler, Samuel [Departement für Chemie und Biochemie, Universität Bern, Freiestrasse 3, CH-3012 Bern (Switzerland)

    2015-02-28

    The S{sub 2}←S{sub 0} vibronic spectrum of the ortho-cyanophenol dimer (oCP){sub 2} is analyzed in a joint experimental and theoretical investigation. Vibronic excitation energies up to 750 cm{sup −1} are covered, which extends our previous analysis of the quenching of the excitonic splitting in this and related species [Kopec et al., J. Chem. Phys. 137, 184312 (2012)]. As we demonstrate, this necessitates an extension of the coupling model. Accordingly, we compute the potential energy surfaces of the ortho-cyanophenol dimer (oCP){sub 2} along all relevant normal modes using the approximate second-order coupled cluster method RI-CC2 and extract the corresponding coupling constants using the linear and quadratic vibronic coupling scheme. These serve as the basis to calculate the vibronic spectrum. The theoretical results are found to be in good agreement with the experimental highly resolved resonant two-photon ionization spectrum. This allows to interpret key features of the excitonic and vibronic interactions in terms of nodal patterns of the underlying vibronic wave functions.

  19. DFT (B3LYP/LanL2DZ and B3LYP/6311G+(d,p)) comparative vibrational spectroscopic analysis of organic-inorganic compound bis(4-acetylanilinium) tetrachlorocuprate(II)

    Science.gov (United States)

    Abkari, A.; Chaabane, I.; Guidara, K.

    2016-07-01

    The organic-inorganic salt, bis(4-acetylanilinium) tetrachlorocuprate(II), was synthesized and characterized by means of FT-IR (4000-400 cm-1) and Raman (3500-50 cm-1) in solid phase. The structure of [C8H10NO]2CuCl4 compound which was optimized by density functional theory (DFT) using B3LYP method showed that the calculated values obtained by B3LYP with LanL2DZ and 6311G+(d,p) basis sets are in better agreement with the experimental data. The computed vibrational frequencies were scaled by different scale factors to yield a good agreement with the experimental vibrational frequencies. The latter have been discussed on the basis of quantum chemical DFT calculations using the B3LYP/6311G+(d,p) and B3LYP/LanL2DZ method approach in gas phase. Besides, the effects due to the substitutions and the intermolecular interactions were investigated. The comparative analysis of the Raman spectra of the title compound with that of the free ligand was also discussed. The geometries and normal modes of the vibrations obtained from B3LYP/6311G+(d,p) calculation are found to be in good agreement with the experimentally observed data. The complete vibrational assignments and analysis of the observed fundamental bands of molecule were carried out.

  20. Computing Molecular Devices in L.major through Transcriptome Analysis: Structured Simulation Approach.

    Science.gov (United States)

    Bejugam, Pruthvi Raj; Singh, Shailza

    2016-01-01

    In the modern era of post genomics and transcriptomics, non-coding RNAs and non-coding regions of many RNAs are a big puzzle when we try deciphering their role in specific gene function. Gene function assessment is a main task wherein high throughput technologies provide an impressive body of data that enables the design of hypotheses linking genes to phenotypes. Gene knockdown technologies and RNA-dependent gene silencing are the most frequent approaches to assess the role of key effectors in a particular scenario. Ribozymes are effective modulators of gene expression because of their simple structure, site-specific cleavage activity, and catalytic potential. In our study, after an extensive transcriptomic search of Leishmania major transcriptome we found a Putative ATP dependent DNA helicase (Lmjf_09_0590) 3' UTR which has a structural signature similar to well-known HDV hammerhead ribozyme, even though they have variable sequence motifs. Henceforth, to determine their structural stability and sustainability we analyzed our predicted structural model of this 3'UTR with a 30ns MD simulation, further confirmed with 100ns MD simulation in presence of 5mM MgCl2 ionic environment. In this environment, structural stability was significantly improved by bonded interactions between a RNA backbone and Mg2+ ions. These predictions were further validated in silico using RNA normal mode analysis and anisotropic network modelling (ANM) studies. The study may be significantly imparted to know the functional importance of many such 3'UTRs to predict their role in a mechanistic manner. PMID:26901858

  1. Computing Molecular Devices in L.major through Transcriptome Analysis: Structured Simulation Approach.

    Directory of Open Access Journals (Sweden)

    Pruthvi Raj Bejugam

    Full Text Available In the modern era of post genomics and transcriptomics, non-coding RNAs and non-coding regions of many RNAs are a big puzzle when we try deciphering their role in specific gene function. Gene function assessment is a main task wherein high throughput technologies provide an impressive body of data that enables the design of hypotheses linking genes to phenotypes. Gene knockdown technologies and RNA-dependent gene silencing are the most frequent approaches to assess the role of key effectors in a particular scenario. Ribozymes are effective modulators of gene expression because of their simple structure, site-specific cleavage activity, and catalytic potential. In our study, after an extensive transcriptomic search of Leishmania major transcriptome we found a Putative ATP dependent DNA helicase (Lmjf_09_0590 3' UTR which has a structural signature similar to well-known HDV hammerhead ribozyme, even though they have variable sequence motifs. Henceforth, to determine their structural stability and sustainability we analyzed our predicted structural model of this 3'UTR with a 30ns MD simulation, further confirmed with 100ns MD simulation in presence of 5mM MgCl2 ionic environment. In this environment, structural stability was significantly improved by bonded interactions between a RNA backbone and Mg2+ ions. These predictions were further validated in silico using RNA normal mode analysis and anisotropic network modelling (ANM studies. The study may be significantly imparted to know the functional importance of many such 3'UTRs to predict their role in a mechanistic manner.

  2. Exact analytical evaluation of time dependent transmission coefficient from the method of reactive flux for an inverted parabolic barrier.

    Science.gov (United States)

    Chakrabarti, Rajarshi

    2007-04-01

    The paper demonstrates an elegant way of combining the normal mode analysis and the method of reactive flux to evaluate the time dependent transmission coefficient for a classical particle coupled to a set of harmonic oscillators, surmounting a one dimensional barrier. The author's analysis reproduces the results of Kohen and Tannor [J. Chem. Phys. 103, 6013 (1995)] and Bao [J. Chem. Phys. 124, 114103 (2006)]. Moreover the use of normal mode analysis has a better physical meaning.

  3. "Vibrational spectroscopic analysis and molecular docking studies of (E)-4-methoxy-N‧-(4-methylbenzylidene) benzohydrazide by DFT"

    Science.gov (United States)

    Maheswari, R.; Manjula, J.

    2016-07-01

    (E)-4-methoxy-N‧-(4-methylbenzylidene)benzohydrazide (4MN'MBH) a novel, organic, hydrazone Schiff base compound was synthesized and its structure was characterized by Fourier Transform Infrared (4000-400 cm-1), Fourier Transform Raman (3500-50 cm-1), Ultraviolet-Visible (200-800 nm) and 1H and 13C NMR spectroscopic analysis. Optimized molecular structure, vibrational frequencies and corresponding vibrational assignments regarding 4MN'MBH has become screened tentatively as well as hypothetically utilizing Gaussian09Wprogram package. Potential energy distributions of the normal modes of vibrations connected with vibrations are generally accomplished by applying VEDA program. Natural Bonding Orbital (NBO) assessment was completed with a reason to clarify charge transfer or conjugative interaction, the intra-molecular-hybridization and delocalization of electron density within the molecule. Electronic transitions were studied employing UV-Visible spectrum and the observed values were compared with theoretical values. 1H and13C NMR spectral assessment had been made with choosing structure property relationship by chemical shifts along with magnetic shielding effects of title compound. The first order hyperpolarizability (β0) and related properties (β, α0 and Δα) of 4MN'MBH were calculated. The computed first order hyperpolarizability commensurate with the documented worth of very similar structure and could be an interesting thing for more experiments on non linear optics. Molecular docking study has been performed by in silico method to analysis their antituberculosis aspects against Enoyl acyl carrier protein reductase (Mycobacterium tuberculosis InhA) protein.

  4. Nonlinear Structural Analysis Methodology and Dynamics Scaling of Inflatable Parabolic Reflector Antenna Concepts

    Science.gov (United States)

    Sreekantamurthy, Tham; Gaspar, James L.; Mann, Troy; Behun, Vaughn; Pearson, James C., Jr.; Scarborough, Stephen

    2007-01-01

    Ultra-light weight and ultra-thin membrane inflatable antenna concepts are fast evolving to become the state-of-the-art antenna concepts for deep-space applications. NASA Langley Research Center has been involved in the structural dynamics research on antenna structures. One of the goals of the research is to develop structural analysis methodology for prediction of the static and dynamic response characteristics of the inflatable antenna concepts. This research is focused on the computational studies to use nonlinear large deformation finite element analysis to characterize the ultra-thin membrane responses of the antennas. Recently, structural analyses have been performed on a few parabolic reflector antennas of varying size and shape, which are referred in the paper as 0.3 meters subscale, 2 meters half-scale, and 4 meters full-scale antenna. The various aspects studied included nonlinear analysis methodology and solution techniques, ways to speed convergence in iterative methods, the sensitivities of responses with respect to structural loads, such as inflation pressure, gravity, and pretension loads in the ground and in-space conditions, and the ultra-thin membrane wrinkling characteristics. Several such intrinsic aspects studied have provided valuable insight into evaluation of structural characteristics of such antennas. While analyzing these structural characteristics, a quick study was also made to assess the applicability of dynamics scaling of the half-scale antenna. This paper presents the details of the nonlinear structural analysis results, and discusses the insight gained from the studies on the various intrinsic aspects of the analysis methodology. The predicted reflector surface characteristics of the three inflatable ultra-thin membrane parabolic reflector antenna concepts are presented as easily observable displacement fringe patterns with associated maximum values, and normal mode shapes and associated frequencies. Wrinkling patterns are

  5. An analysis of a new stable partitioned algorithm for FSI problems. Part I: Incompressible flow and elastic solids

    Science.gov (United States)

    Banks, J. W.; Henshaw, W. D.; Schwendeman, D. W.

    2014-07-01

    Stable partitioned algorithms for fluid-structure interaction (FSI) problems are developed and analyzed in this two-part paper. Part I describes an algorithm for incompressible flow coupled with compressible elastic solids, while Part II discusses an algorithm for incompressible flow coupled with structural shells. Importantly, these new added-mass partitioned (AMP) schemes are stable and retain full accuracy with no sub-iterations per time step, even in the presence of strong added-mass effects (e.g. for light solids). The numerical approach described here for bulk compressible solids extends the scheme of Banks et al. [1,2] for inviscid compressible flow, and uses Robin (mixed) boundary conditions with the fluid and solid solvers at the interface. The basic AMP Robin conditions, involving a linear combination of velocity and stress, are determined from the outgoing solid characteristic relation normal to the fluid-solid interface combined with the matching conditions on the velocity and traction. Two alternative forms of the AMP conditions are then derived depending on whether the fluid equations are advanced with a fractional-step method or not. The stability and accuracy of the AMP algorithm is evaluated for linearized FSI model problems; the full nonlinear case being left for future consideration. A normal mode analysis is performed to show that the new AMP algorithm is stable for any ratio of the solid and fluid densities, including the case of very light solids when added-mass effects are large. In contrast, it is shown that a traditional partitioned algorithm involving a Dirichlet-Neumann coupling for the same FSI problem is formally unconditionally unstable for any ratio of densities. Exact traveling wave solutions are derived for the FSI model problems, and these solutions are used to verify the stability and accuracy of the corresponding numerical results obtained from the AMP algorithm for the cases of light, medium and heavy solids.

  6. Computational analysis of a novel mutation in ETFDH gene highlights its long-range effects on the FAD-binding motif

    Directory of Open Access Journals (Sweden)

    Chang Jan-Gowth

    2011-10-01

    Full Text Available Abstract Background Multiple acyl-coenzyme A dehydrogenase deficiency (MADD is an autosomal recessive disease caused by the defects in the mitochondrial electron transfer system and the metabolism of fatty acids. Recently, mutations in electron transfer flavoprotein dehydrogenase (ETFDH gene, encoding electron transfer flavoprotein:ubiquinone oxidoreductase (ETF:QO have been reported to be the major causes of riboflavin-responsive MADD. To date, no studies have been performed to explore the functional impact of these mutations or their mechanism of disrupting enzyme activity. Results High resolution melting (HRM analysis and sequencing of the entire ETFDH gene revealed a novel mutation (p.Phe128Ser and the hotspot mutation (p.Ala84Thr from a patient with MADD. According to the predicted 3D structure of ETF:QO, the two mutations are located within the flavin adenine dinucleotide (FAD binding domain; however, the two residues do not have direct interactions with the FAD ligand. Using molecular dynamics (MD simulations and normal mode analysis (NMA, we found that the p.Ala84Thr and p.Phe128Ser mutations are most likely to alter the protein structure near the FAD binding site as well as disrupt the stability of the FAD binding required for the activation of ETF:QO. Intriguingly, NMA revealed that several reported disease-causing mutations in the ETF:QO protein show highly correlated motions with the FAD-binding site. Conclusions Based on the present findings, we conclude that the changes made to the amino acids in ETF:QO are likely to influence the FAD-binding stability.

  7. Complex vibrational analysis of an antiferroelectric liquid crystal based on solid-state oriented quantum chemical calculations and experimental molecular spectroscopy.

    Science.gov (United States)

    Drużbicki, Kacper; Mikuli, Edward; Kocot, Antoni; Ossowska-Chruściel, Mirosława Danuta; Chruściel, Janusz; Zalewski, Sławomir

    2012-08-01

    The experimental and theoretical vibrational spectroscopic study of one of a novel antiferroelectric liquid crystals (AFLC), known under the MHPSBO10 acronym, have been undertaken. The interpretation of both FT-IR and FT-Raman spectra was focused mainly on the solid-state data. To analyze the experimental results along with the molecular properties, density functional theory (DFT) computations were performed using several modern theoretical approaches. The presented calculations were performed within the isolated molecule model, probing the performance of modern exchange-correlations functionals, as well as going beyond, i.e., within hybrid (ONIOM) and periodic boundary conditions (PBC) methodologies. A detailed band assignment was supported by the normal-mode analysis with SQM ab initio force field scaling. The results are supplemented by the noncovalent interactions analysis (NCI). The relatively noticeable spectral differences observed upon Crystal to AFLC phase transition have also been reported. For the most prominent vibrational modes, the geometries of the transition dipole moments along with the main components of vibrational polarizability were analyzed in terms of the molecular frame. One of the goals of the paper was to optimize the procedure of solid-state calculations to obtain the results comparable with the all electron calculations, performed routinely for isolated molecules, and to test their performance. The presented study delivers a complex insight into the vibrational spectrum with a noticeable improvement of the theoretical results obtained for significantly attracting mesogens using modern molecular modeling approaches. The presented modeling conditions are very promising for further description of similar large molecular crystals. PMID:22709148

  8. Co-seismic Corresponding Analysis of the Earth's Free Oscillations Gravity Signal Induced by the East Japan Earthquake

    Science.gov (United States)

    Wang, L.; Chen, C.; Du, J.; Wang, Q.

    2011-12-01

    The Earth's free oscillations always happen after strong earthquakes. Observations and studies on the Earth's free oscillations will provide an important reference for understanding the Earth's internal structure and anisotropic characters. As the Earth's spherical oscillations always induce the Earth surface's vertical displacement which can be observed by gravimeter consecutively, the correlation signal of the Earth's free oscillations will be obtained. The earthquake (Mw=9.0) happened in the 130km (38.322°N, 142.369°E) of the Pacific sea area which located at the east of Sendai City at GMT time 05:46:23, on March 11th, 2011, has been the biggest earthquake in Japan so far, which has caused the Pacific Ocean not only tsunami disaster but also induced the Earth's free oscillations worldwide. After strong earthquakes, the Earth oscillates with spheroidal and toroidal modes. The former cause gravity changes which can be detected with sensitive instruments. For this purpose, we used continuous gravity measurements with LaCoste&Romberg Earth Tide spring gravimeter (gPhone) to make continuous gravity measurement in China University of Geosciences, Wuhan. The Microg-LaCoste gPhone is a portable Earth tide gravimeter equipped with a 0.1 μGal resolution feedback. The core sensor is the patented LaCoste & Romberg (LR) zero-length spring suspension system. We analyzed on the co-seismic corresponding signals of the observed gravity data after the earthquake (Mw=9.0) happened in the east of Honshu, Japan on 3.11. Then we provided the observed Earth's free oscillations results recorded by #94 gPhone which aroused by this strong earthquake. Spectral analysis of detided and depressured records showed significant peaks in normal modes within frequency range. These peaks are above noise level and they are in good accordance with seismic theories. Here, we show some examples of normal modes registration after great earthquakes, such as: We estimated 43 Earth's free oscillation

  9. NMscatt: a program for calculating inelastic scattering from large biomolecular systems using classical force-field simulations

    CERN Document Server

    Merzel, F; Johnson, M R; Fontaine-Vive, Fabien; Johnson, Mark R.; Merzel, Franci

    2006-01-01

    Computational tools for normal mode analysis, which are widely used in physics and materials science problems, are designed here in a single package called NMscatt (Normal Modes & scattering) that allows arbitrarily large systems to be handled. The package allows inelastic neutron and X-ray scattering observables to be calculated, allowing comparison with experimental data produced at large scale facilities. Various simplification schemes are presented for analysing displacement vectors, which are otherwise too complicated to understand in very large systems.

  10. Instrumental analysis

    International Nuclear Information System (INIS)

    This textbook deals with instrumental analysis, which consists of nine chapters. It has Introduction of analysis chemistry, the process of analysis and types and form of the analysis, Electrochemistry on basic theory, potentiometry and conductometry, electromagnetic radiant rays and optical components on introduction and application, Ultraviolet rays and Visible spectrophotometry, Atomic absorption spectrophotometry on introduction, flame emission spectrometry and plasma emission spectrometry. The others like infrared spectrophotometry, X-rays spectrophotometry and mass spectrometry, chromatography and the other instrumental analysis like radiochemistry.

  11. Dynamics, stability analysis and quantization of -Fermi–Pasta–Ulam lattice

    Indian Academy of Sciences (India)

    Rupali L Sonone; Sudhir R Jain

    2014-12-01

    We study the well-known one-dimensional problem of particles with nonlinear interaction. The -Fermi–Pasta–Ulam model is the special case of quadratic and quartic interaction potential among nearest neighbours. We enumerate and classify the simple periodic orbits for this system and find the stability zones, employing Floquet theory. We quantize the nonlinear normal modes and construct a wavefunction for what we believe is a primitive nonlinear analogue of a `phonon’.

  12. A two-layer model for linear stability analysis of shelf-slope currents.

    OpenAIRE

    Teigen, Sigurd Henrik

    2011-01-01

    A method for obtaining the normal mode solution of a linear two-layer system over sloping topography has been derived and implemented, providing a basic tool for analysing the disper- sion relation and modal structure of stable and unstable baroclinic shelf waves. Model results are compared with analytical solutions for a step-shelf profile with no background flow and a linearly sloping channel with flow in both layers. A case study for the West Spitsbergen Shelf topography is also pre...

  13. Zero, Normal and Super-radiant Modes for Scalar and Spinor Fields in Kerr-anti de Sitter Spacetime

    CERN Document Server

    Kenmoku, Masakatsu; Shigemoto, Kazuyasu; Yoon, Jong Hyuk

    2016-01-01

    Zero and normal modes for scalar and spinor fields in Kerr-anti de Sitter spacetime are studied as bound state problem with Dirichlet and Neumann boundary conditions. Zero mode is defined as the momentum near the horizon to be zero: $p_{\\rm H}=\\omega-\\Omega_{\\rm H}m=0$, and is shown not to exist as physical state for both scalar and spinor fields. Physical normal modes satisfy the spectrum condition $p_{\\rm H}>0$ as a result of non-existence of zero mode and the analyticity with respect to rotation parameter $a$ of Kerr-anti de Sitter black hole. Comments on the super-radiant modes and the thermodynamics of black hole are given in relation to the spectrum condition for normal modes. Preliminary numerical analysis on normal modes is presented.

  14. In silico analysis of single nucleotide polymorphism (SNPs in human β-globin gene.

    Directory of Open Access Journals (Sweden)

    Mohammed Alanazi

    Full Text Available Single amino acid substitutions in the globin chain are the most common forms of genetic variations that produce hemoglobinopathies--the most widespread inherited disorders worldwide. Several hemoglobinopathies result from homozygosity or compound heterozygosity to beta-globin (HBB gene mutations, such as that producing sickle cell hemoglobin (HbS, HbC, HbD and HbE. Several of these mutations are deleterious and result in moderate to severe hemolytic anemia, with associated complications, requiring lifelong care and management. Even though many hemoglobinopathies result from single amino acid changes producing similar structural abnormalities, there are functional differences in the generated variants. Using in silico methods, we examined the genetic variations that can alter the expression and function of the HBB gene. Using a sequence homology-based Sorting Intolerant from Tolerant (SIFT server we have searched for the SNPs, which showed that 200 (80% non-synonymous polymorphism were found to be deleterious. The structure-based method via PolyPhen server indicated that 135 (40% non-synonymous polymorphism may modify protein function and structure. The Pupa Suite software showed that the SNPs will have a phenotypic consequence on the structure and function of the altered protein. Structure analysis was performed on the key mutations that occur in the native protein coded by the HBB gene that causes hemoglobinopathies such as: HbC (E→K, HbD (E→Q, HbE (E→K and HbS (E→V. Atomic Non-Local Environment Assessment (ANOLEA, Yet Another Scientific Artificial Reality Application (YASARA, CHARMM-GUI webserver for macromolecular dynamics and mechanics, and Normal Mode Analysis, Deformation and Refinement (NOMAD-Ref of Gromacs server were used to perform molecular dynamics simulations and energy minimization calculations on β-Chain residue of the HBB gene before and after mutation. Furthermore, in the native and altered protein models, amino acid

  15. Spectral analysis of approximations of Dirichlet-Neumann operators and nonlocal shallow water wave models

    Science.gov (United States)

    Vargas-Magaña, Rosa; Panayotaros, Panayotis

    2015-11-01

    We study the problem of wave propagation in a long-wave asymptotic regime over variable bottom of an ideal irrotational fluid in the framework of the Hamiltonian formulation in which the non-local Dirichlet-Neumann (DtN) operator appears explicitly in the Hamiltonian. We propose a non-local Hamiltonian model for bidirectional wave propagation in shallow water that involves pseudodifferential operators that approximate the DtN operator for variable depth. These models generalize the Boussinesq system as they include the exact dispersion relation in the case of constant depth. We present results for the normal modes and eigenfrequencies of the linearized problem. We see that variable topography introduces effects such as steepening of normal modes with increasing variation of depth, as well as amplitude modulation of the normal modes in certain wavelength ranges. Numerical integration shows that the constant depth nonlocal Boussinesq model with quadratic nonlinearity can capture the evolution obtained with higher order approximations of the DtN operator. In the case of variable depth we observe certain oscillations in width of the crest and also some interesting textures in the evolution of wave crests during the passage from obstacles.

  16. Sensitivity analysis

    Science.gov (United States)

    ... page: //medlineplus.gov/ency/article/003741.htm Sensitivity analysis To use the sharing features on this page, please enable JavaScript. Sensitivity analysis determines the effectiveness of antibiotics against microorganisms (germs) ...

  17. Data Analysis

    OpenAIRE

    Gionis, Aristides

    2013-01-01

    The objective of this report is to highlight opportunities for enhancing global research data infrastructures from the point of view of data analysis. We discuss various directions and data-analysis functionalities for supporting such infrastructures.

  18. Raman spectroscopic analysis of isomers of biliverdin dimethyl ester.

    Science.gov (United States)

    Matysik, J; Hildebrandt, P; Smit, K; Mark, F; Gärtner, W; Braslavsky, S E; Schaffner, K; Schrader, B

    1997-06-01

    The constitutional isomers of biliverdin dimethyl ester, IX alpha and XIII alpha, were studied by resonance Raman spectroscopy. The far-reaching spectral similarities suggest that despite the different substitution patterns, the compositions of the normal modes are closely related. This conclusion does not hold only for the parent state (ZZZ, sss configuration) but also for the configurational isomers which were obtained upon double-bond photoisomerization. Based on a comparison of the resonance Raman spectra, a EZZ configuration is proposed for one of the two photoisomers of biliverdin dimethyl ester IX alpha, while a ZZE, ssa configuration has been assigned previously to the second isomer. PMID:9226559

  19. CSF analysis

    Science.gov (United States)

    Cerebrospinal fluid analysis ... Analysis of CSF can help detect certain conditions and diseases. All of the following can be, but ... An abnormal CSF analysis result may be due to many different causes, ... Encephalitis (such as West Nile and Eastern Equine) Hepatic ...

  20. Activation analysis

    International Nuclear Information System (INIS)

    The neutron activation analysis, which appears to be in limits for further advance, is the most suitable for providing information on the principal as well as the microcomponents in any sample of solid form. Then, instrumental activation analysis is capable of determination of far many elements in various samples. Principally on the neutron activation analysis, the following are described in literature survey from 1982 to middle 1984: bibliography, review, data collection, etc.; problems in spectral analysis and measurement; activation analysis with neutrons; charged particle and photo-nucleus reactions; chemical separation, isotopic dilution activation analysis; molecular activation analysis; standard materials; life and its relation samples; environmental, food, court trial and archaeological samples; space and earth sciences. (Mori, K.)

  1. Rigid Body Modes Influence On Microvibration Analysis-Application To Swarm

    Science.gov (United States)

    Laduree, G.; Fransen, S.; Baldesi, G.; Pflieger, I.

    2012-07-01

    Microvibrations are defined as low level mechanical disturbances affecting payload performance, generated by mobile parts or mechanism operating on-board the spacecraft, like momentum or reaction wheels, pointing mechanism, cryo-coolers or thrusters. The disturbances caused by these sources are transmitted through the spacecraft structure and excite modes of that structure or elements of the payload impacting its performance (e.g. Line of sight rotations inducing some image quality degradation). The dynamic interaction between these three elements (noise source, spacecraft structure and sensitive receiver) makes the microvibration prediction a delicate problem. Microvibration sources are generally of concern in the frequency range from a few Hz to 1000 Hz. However, in some specific cases, high stability at lower frequencies might be requested. This is the case of the SWARM mission, whose objectives are to provide the best ever survey of the geomagnetic field and its temporal evolution as well as supplementary information for studying the interaction of the magnetic field with other physical quantities describing the Earth system (e.g. ocean circulation). Among its instruments, SWARM is embarking a very sensitive 6-axis accelerometer in the low frequency range (10-8 m/s2 or rad/s2 between 10-4 and 0.1 Hz) located at its Centre of Gravity and an Absolute Scalar Magnetometer located at the tip of a boom far from the spacecraft body. The ASM performs its measurements by rotating an alternative magnetic field around its main axis thanks to a piezo-electric motor. This repeated disturbance might generate some pollution of the accelerometer science data. The objective of this work is to focus on the interaction of the rigid body mode calculation method with the elastic contribution of the normal modes excited by the noise source frequency content. It has indeed been reported in the past that NASTRAN Lanczos rigid body modes may lead to inaccurate rigid-body accelerations

  2. Strategic analysis

    OpenAIRE

    Chládek, Vítězslav

    2012-01-01

    The objective of this Bachelor thesis is to carry out a strategic analysis of a Czech owned limited company, Česky národní podnik s.r.o. This company sells traditional Czech products and manufactures cosmetics and body care products. The first part of the thesis provides theoretical background and methodology that are used later for the strategic analysis of the company. The theory outlined in this paper is based on the analysis of external and internal factors. Firstly the PEST analysis has ...

  3. Strategic analysis

    OpenAIRE

    Bartuňková, Alena

    2008-01-01

    The objective of this Bachelor thesis is to carry out a strategic analysis of a Czech owned limited company, Česky národní podnik s.r.o. This company sells traditional Czech products and manufactures cosmetics and body care products. The first part of the thesis provides theoretical background and methodology that are used later for the strategic analysis of the company. The theory outlined in this paper is based on the analysis of external and internal factors. Firstly the PEST analysis has ...

  4. Applied analysis

    CERN Document Server

    Lanczos, Cornelius

    2010-01-01

    Basic text for graduate and advanced undergraduate deals with search for roots of algebraic equations encountered in vibration and flutter problems and in those of static and dynamic stability. Other topics devoted to matrices and eigenvalue problems, large-scale linear systems, harmonic analysis and data analysis, more.

  5. Scenario analysis

    NARCIS (Netherlands)

    Li, L.; Braat, L.C.; Lei, G.; Arets, E.J.M.M.; Liu, J.; Jiang, L.; Fan, Z.; Liu, W.; He, H.; Sun, X.

    2014-01-01

    This chapter presents the results of the scenario analysis of China’s ecosystems focusing on forest, grassland, and wetland ecosystems. The analysis was undertaken using Conversion of Land Use Change and its Effects (CLUE) modeling and an ecosystem service matrix (as explained below) complemented by

  6. Modeling And Analysis of A Jeffcott Rotor As A Continuous Cantilever Beam And An Unbalanced Disk System

    OpenAIRE

    GUNDOGDU, Ömer; ALNEFAIE, Khaled; DIKEN, Hamza

    2014-01-01

    The paper presents simulations of a continuous cantilever beam and an unbalanced disk system by extending classical Jeffcott rotor approach to a model that gives the first three (or more) modes of the flexible beam. Normal modes of a constrained structure method are used to develop the equations of motion including gyroscopic effects. Centrifugal force created by the unbalanced mass of the disk is considered as a constraint for the flexible beam. The first three modes of the flexible beam hav...

  7. Recursive analysis

    CERN Document Server

    Goodstein, R L

    2010-01-01

    Recursive analysis develops natural number computations into a framework appropriate for real numbers. This text is based upon primary recursive arithmetic and presents a unique combination of classical analysis and intuitional analysis. Written by a master in the field, it is suitable for graduate students of mathematics and computer science and can be read without a detailed knowledge of recursive arithmetic.Introductory chapters on recursive convergence and recursive and relative continuity are succeeded by explorations of recursive and relative differentiability, the relative integral, and

  8. Numerical analysis

    CERN Document Server

    Khabaza, I M

    1960-01-01

    Numerical Analysis is an elementary introduction to numerical analysis, its applications, limitations, and pitfalls. Methods suitable for digital computers are emphasized, but some desk computations are also described. Topics covered range from the use of digital computers in numerical work to errors in computations using desk machines, finite difference methods, and numerical solution of ordinary differential equations. This book is comprised of eight chapters and begins with an overview of the importance of digital computers in numerical analysis, followed by a discussion on errors in comput

  9. Panel Analysis

    DEFF Research Database (Denmark)

    Brænder, Morten; Andersen, Lotte Bøgh

    2014-01-01

    Based on our 2013-article, ”Does Deployment to War Affect Soldiers' Public Service Motivation – A Panel Study of Soldiers Before and After their Service in Afghanistan”, we present Panel Analysis as a methodological discipline. Panels consist of multiple units of analysis, observed at two or more...... in research settings where it is not possible to distribute units of analysis randomly or where the independent variables cannot be manipulated. The greatest disadvantage in regard to using panel studies is that data may be difficult to obtain. This is most clearly vivid in regard to the use of panel surveys...

  10. Dimensional Analysis

    CERN Document Server

    Tan, Qingming

    2011-01-01

    Dimensional analysis is an essential scientific method and a powerful tool for solving problems in physics and engineering. This book starts by introducing the Pi Theorem, which is the theoretical foundation of dimensional analysis. It also provides ample and detailed examples of how dimensional analysis is applied to solving problems in various branches of mechanics. The book covers the extensive findings on explosion mechanics and impact dynamics contributed by the author's research group over the past forty years at the Chinese Academy of Sciences. The book is intended for advanced undergra

  11. Conversation Analysis.

    Science.gov (United States)

    Schiffrin, Deborah

    1990-01-01

    Summarizes the current state of research in conversation analysis, referring primarily to six different perspectives that have developed from the philosophy, sociology, anthropology, and linguistics disciplines. These include pragmatics; speech act theory; interactional sociolinguistics; ethnomethodology; ethnography of communication; and…

  12. Biorefinery Analysis

    Energy Technology Data Exchange (ETDEWEB)

    2016-06-01

    Fact sheet summarizing NREL's techno-economic analysis and life-cycle assessment capabilities to connect research with future commercial process integration, a critical step in the scale-up of biomass conversion technologies.

  13. Analysis I

    CERN Document Server

    Tao, Terence

    2016-01-01

    This is part one of a two-volume book on real analysis and is intended for senior undergraduate students of mathematics who have already been exposed to calculus. The emphasis is on rigour and foundations of analysis. Beginning with the construction of the number systems and set theory, the book discusses the basics of analysis (limits, series, continuity, differentiation, Riemann integration), through to power series, several variable calculus and Fourier analysis, and then finally the Lebesgue integral. These are almost entirely set in the concrete setting of the real line and Euclidean spaces, although there is some material on abstract metric and topological spaces. The book also has appendices on mathematical logic and the decimal system. The entire text (omitting some less central topics) can be taught in two quarters of 25–30 lectures each. The course material is deeply intertwined with the exercises, as it is intended that the student actively learn the material (and practice thinking and writing ri...

  14. Analysis II

    CERN Document Server

    Tao, Terence

    2016-01-01

    This is part two of a two-volume book on real analysis and is intended for senior undergraduate students of mathematics who have already been exposed to calculus. The emphasis is on rigour and foundations of analysis. Beginning with the construction of the number systems and set theory, the book discusses the basics of analysis (limits, series, continuity, differentiation, Riemann integration), through to power series, several variable calculus and Fourier analysis, and then finally the Lebesgue integral. These are almost entirely set in the concrete setting of the real line and Euclidean spaces, although there is some material on abstract metric and topological spaces. The book also has appendices on mathematical logic and the decimal system. The entire text (omitting some less central topics) can be taught in two quarters of 25–30 lectures each. The course material is deeply intertwined with the exercises, as it is intended that the student actively learn the material (and practice thinking and writing ri...

  15. An experimental and theoretical investigation of Acenaphthene-5-boronic acid: Conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV spectra

    Science.gov (United States)

    Karabacak, Mehmet; Sinha, Leena; Prasad, Onkar; Asiri, Abdullah M.; Cinar, Mehmet

    2013-11-01

    The solid state Fourier transform infrared (FT-IR) and FT-Raman spectra of Acenaphthene-5-boronic acid (AN-5-BA), have been recorded in the range 4000-400 cm-1 and 4000-10 cm-1, respectively. Density functional theory (DFT), with the B3LYP functional was used for the optimization of the ground state geometry and simulation of the infrared and Raman spectra of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes and the normal modes were assigned by a scaled quantum mechanical (SQM) force field approach. Hydrogen-bonded dimer of AN-5-BA, optimized by counterpoise correction, has also been studied by B3LYP at the 6-311++G(d,p) level and the effects of molecular association through O-H⋯O hydrogen bonding have been discussed. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by Gauge-Including Atomic Orbital (GIAO) method. Natural bond orbital (NBO) analysis has been applied to study stability of the molecule arising from charge delocalization. UV spectrum of the title compound was also recorded and the electronic properties, such as frontier orbitals, and band gap energies were measured by TD-DFT approach. The first order hyperpolarizability , its components and associated properties such as average polarizability and anisotropy of the polarizability (α and Δα) of AN-5-BA was calculated using the finite-field approach.

  16. Link Analysis

    Science.gov (United States)

    Donoho, Steve

    Link analysis is a collection of techniques that operate on data that can be represented as nodes and links. This chapter surveys a variety of techniques including subgraph matching, finding cliques and K-plexes, maximizing spread of influence, visualization, finding hubs and authorities, and combining with traditional techniques (classification, clustering, etc). It also surveys applications including social network analysis, viral marketing, Internet search, fraud detection, and crime prevention.

  17. Business analysis

    CERN Document Server

    Paul, Debra; Cadle, James

    2010-01-01

    Throughout the business world, public, private and not-for-profit organisations face huge challenges. Business analysts must respond by developing practical, creative and financially sound solutions. This excellent guide gives them the necessary tools. It supports everyone wanting to achieve university and industry qualifications in business analysis and information systems. It is particularly beneficial for those studying for ISEB qualifications in Business Analysis. Some important additions since the first edition (2006): the inclusion of new techniques such as Ishikawa diagrams and spaghe

  18. Numerical analysis

    CERN Document Server

    Scott, L Ridgway

    2011-01-01

    Computational science is fundamentally changing how technological questions are addressed. The design of aircraft, automobiles, and even racing sailboats is now done by computational simulation. The mathematical foundation of this new approach is numerical analysis, which studies algorithms for computing expressions defined with real numbers. Emphasizing the theory behind the computation, this book provides a rigorous and self-contained introduction to numerical analysis and presents the advanced mathematics that underpin industrial software, including complete details that are missing from m

  19. Factor analysis

    CERN Document Server

    Gorsuch, Richard L

    2013-01-01

    Comprehensive and comprehensible, this classic covers the basic and advanced topics essential for using factor analysis as a scientific tool in psychology, education, sociology, and related areas. Emphasizing the usefulness of the techniques, it presents sufficient mathematical background for understanding and sufficient discussion of applications for effective use. This includes not only theory but also the empirical evaluations of the importance of mathematical distinctions for applied scientific analysis.

  20. Radioactivation analysis

    International Nuclear Information System (INIS)

    Radioactivation analysis is the technique of radioactivation analysis of the constituents of a very small sample of matter by making the sample artificially radioactive. The first stage is to make the sample radioactive by artificial means, e.g. subject it to neutron bombardment. Once the sample has been activated, or made radioactive, the next task is to analyze the radiations given off by the sample. This analysis would indicate the nature and quantities of the various elements present in the sample. The reason is that the radiation from a particular radioisotope. In 1959 a symposium on 'Radioactivation Analysis' was organized in Vienna by the IAEA and the Joint Commission on Applied Radioactivity (ICSU). It was pointed out that there are certain factors creating uncertainties and elaborated how to overcome them. Attention was drawn to the fact that radioactivation analysis had proven a powerful tool tackling fundamental problems in geo- and cosmochemistry, and a review was given of the recent work in this field. Because of its extreme sensitivity radioactivation analysis had been principally employed for trace detection and its most extensive use has been in control of semiconductors and very pure metals. An account of the experience gained in the USA was given, where radioactivation analysis was being used by many investigators in various scientific fields as a practical and useful tool for elemental analyses. Much of this work had been concerned with determining sub microgramme and microgramme concentration of many different elements in samples of biological materials, drugs, fertilizers, fine chemicals, foods, fuels, glass, ceramic materials, metals, minerals, paints, petroleum products, resinous materials, soils, toxicants, water and other materials. In addition to these studies, radioactivation analysis had been used by other investigators to determine isotopic ratios of the stable isotopes of some of the elements. Another paper dealt with radioactivation

  1. Real analysis

    CERN Document Server

    DiBenedetto, Emmanuele

    2016-01-01

    The second edition of this classic textbook presents a rigorous and self-contained introduction to real analysis with the goal of providing a solid foundation for future coursework and research in applied mathematics. Written in a clear and concise style, it covers all of the necessary subjects as well as those often absent from standard introductory texts. Each chapter features a “Problems and Complements” section that includes additional material that briefly expands on certain topics within the chapter and numerous exercises for practicing the key concepts. The first eight chapters explore all of the basic topics for training in real analysis, beginning with a review of countable sets before moving on to detailed discussions of measure theory, Lebesgue integration, Banach spaces, functional analysis, and weakly differentiable functions. More topical applications are discussed in the remaining chapters, such as maximal functions, functions of bounded mean oscillation, rearrangements, potential theory, a...

  2. Numerical analysis

    CERN Document Server

    Rao, G Shanker

    2006-01-01

    About the Book: This book provides an introduction to Numerical Analysis for the students of Mathematics and Engineering. The book is designed in accordance with the common core syllabus of Numerical Analysis of Universities of Andhra Pradesh and also the syllabus prescribed in most of the Indian Universities. Salient features: Approximate and Numerical Solutions of Algebraic and Transcendental Equation Interpolation of Functions Numerical Differentiation and Integration and Numerical Solution of Ordinary Differential Equations The last three chapters deal with Curve Fitting, Eigen Values and Eigen Vectors of a Matrix and Regression Analysis. Each chapter is supplemented with a number of worked-out examples as well as number of problems to be solved by the students. This would help in the better understanding of the subject. Contents: Errors Solution of Algebraic and Transcendental Equations Finite Differences Interpolation with Equal Intervals Interpolation with Unequal Int...

  3. Real analysis

    CERN Document Server

    Loeb, Peter A

    2016-01-01

    This textbook is designed for a year-long course in real analysis taken by beginning graduate and advanced undergraduate students in mathematics and other areas such as statistics, engineering, and economics. Written by one of the leading scholars in the field, it elegantly explores the core concepts in real analysis and introduces new, accessible methods for both students and instructors. The first half of the book develops both Lebesgue measure and, with essentially no additional work for the student, general Borel measures for the real line. Notation indicates when a result holds only for Lebesgue measure. Differentiation and absolute continuity are presented using a local maximal function, resulting in an exposition that is both simpler and more general than the traditional approach. The second half deals with general measures and functional analysis, including Hilbert spaces, Fourier series, and the Riesz representation theorem for positive linear functionals on continuous functions with compact support....

  4. Numerical analysis

    CERN Document Server

    Jacques, Ian

    1987-01-01

    This book is primarily intended for undergraduates in mathematics, the physical sciences and engineering. It introduces students to most of the techniques forming the core component of courses in numerical analysis. The text is divided into eight chapters which are largely self-contained. However, with a subject as intricately woven as mathematics, there is inevitably some interdependence between them. The level of difficulty varies and, although emphasis is firmly placed on the methods themselves rather than their analysis, we have not hesitated to include theoretical material when we consider it to be sufficiently interesting. However, it should be possible to omit those parts that do seem daunting while still being able to follow the worked examples and to tackle the exercises accompanying each section. Familiarity with the basic results of analysis and linear algebra is assumed since these are normally taught in first courses on mathematical methods. For reference purposes a list of theorems used in the t...

  5. Outlier analysis

    CERN Document Server

    Aggarwal, Charu C

    2013-01-01

    With the increasing advances in hardware technology for data collection, and advances in software technology (databases) for data organization, computer scientists have increasingly participated in the latest advancements of the outlier analysis field. Computer scientists, specifically, approach this field based on their practical experiences in managing large amounts of data, and with far fewer assumptions- the data can be of any type, structured or unstructured, and may be extremely large.Outlier Analysis is a comprehensive exposition, as understood by data mining experts, statisticians and

  6. Nonlinear analysis

    CERN Document Server

    Nanda, Sudarsan

    2013-01-01

    "Nonlinear analysis" presents recent developments in calculus in Banach space, convex sets, convex functions, best approximation, fixed point theorems, nonlinear operators, variational inequality, complementary problem and semi-inner-product spaces. Nonlinear Analysis has become important and useful in the present days because many real world problems are nonlinear, nonconvex and nonsmooth in nature. Although basic concepts have been presented here but many results presented have not appeared in any book till now. The book could be used as a text for graduate students and also it will be useful for researchers working in this field.

  7. Elementary analysis

    CERN Document Server

    Snell, K S; Langford, W J; Maxwell, E A

    1966-01-01

    Elementary Analysis, Volume 2 introduces several of the ideas of modern mathematics in a casual manner and provides the practical experience in algebraic and analytic operations that lays a sound foundation of basic skills. This book focuses on the nature of number, algebraic and logical structure, groups, rings, fields, vector spaces, matrices, sequences, limits, functions and inverse functions, complex numbers, and probability. The logical structure of analysis given through the treatment of differentiation and integration, with applications to the trigonometric and logarithmic functions, is

  8. Diophantine analysis

    CERN Document Server

    Steuding, Jorn

    2005-01-01

    While its roots reach back to the third century, diophantine analysis continues to be an extremely active and powerful area of number theory. Many diophantine problems have simple formulations, they can be extremely difficult to attack, and many open problems and conjectures remain. Diophantine Analysis examines the theory of diophantine approximations and the theory of diophantine equations, with emphasis on interactions between these subjects. Beginning with the basic principles, the author develops his treatment around the theory of continued fractions and examines the classic theory, inclu

  9. Risk analysis

    International Nuclear Information System (INIS)

    This book contains a selection of research works performed in the CEDIAC Institute (Cuyo National University) in the area of Risk Analysis, with specific orientations to the subjects of uncertainty and sensitivity studies, software reliability, severe accident modeling, etc. This volume presents important material for all those researches who want to have an insight in the risk analysis field, as a tool to solution several problems frequently found in the engineering and applied sciences field, as well as for the academic teachers who want to keep up to date, including the new developments and improvements continuously arising in this field

  10. Numerical analysis

    CERN Document Server

    Brezinski, C

    2012-01-01

    Numerical analysis has witnessed many significant developments in the 20th century. This book brings together 16 papers dealing with historical developments, survey papers and papers on recent trends in selected areas of numerical analysis, such as: approximation and interpolation, solution of linear systems and eigenvalue problems, iterative methods, quadrature rules, solution of ordinary-, partial- and integral equations. The papers are reprinted from the 7-volume project of the Journal of Computational and Applied Mathematics on '/homepage/sac/cam/na2000/index.html<

  11. Image Analysis

    DEFF Research Database (Denmark)

    . The topics of the accepted papers range from novel applications of vision systems, pattern recognition, machine learning, feature extraction, segmentation, 3D vision, to medical and biomedical image analysis. The papers originate from all the Scandinavian countries and several other European countries......The 19th Scandinavian Conference on Image Analysis was held at the IT University of Copenhagen in Denmark during June 15-17, 2015. The SCIA conference series has been an ongoing biannual event for more than 30 years and over the years it has nurtured a world-class regional research and development...

  12. Cluster analysis

    CERN Document Server

    Everitt, Brian S; Leese, Morven; Stahl, Daniel

    2011-01-01

    Cluster analysis comprises a range of methods for classifying multivariate data into subgroups. By organizing multivariate data into such subgroups, clustering can help reveal the characteristics of any structure or patterns present. These techniques have proven useful in a wide range of areas such as medicine, psychology, market research and bioinformatics.This fifth edition of the highly successful Cluster Analysis includes coverage of the latest developments in the field and a new chapter dealing with finite mixture models for structured data.Real life examples are used throughout to demons

  13. Learner Analysis

    Institute of Scientific and Technical Information of China (English)

    Song Xuexia

    2005-01-01

    @@ In the past, more attempts had been made to explore the ways for teachers to teach English but fewer for learners to learn the language. Learner analysis is to analyze "What the learner is", including age, attitude, motivation, intelligence,aptitude, personality , and etc, with the purpose to realize the transition from "teacher-centered" into "learner-oriented".

  14. Regression Analysis

    CERN Document Server

    Freund, Rudolf J; Sa, Ping

    2006-01-01

    The book provides complete coverage of the classical methods of statistical analysis. It is designed to give students an understanding of the purpose of statistical analyses, to allow the student to determine, at least to some degree, the correct type of statistical analyses to be performed in a given situation, and have some appreciation of what constitutes good experimental design

  15. Inclusion Analysis

    CERN Document Server

    Colver, David

    2010-01-01

    Inclusion analysis is the name given by Operis to a black box testing technique that it has found to make the checking of key financial ratios calculated by spreadsheet models quicker, easier and more likely to find omission errors than code inspection.

  16. Survival Analysis

    CERN Document Server

    Miller, Rupert G

    2011-01-01

    A concise summary of the statistical methods used in the analysis of survival data with censoring. Emphasizes recently developed nonparametric techniques. Outlines methods in detail and illustrates them with actual data. Discusses the theory behind each method. Includes numerous worked problems and numerical exercises.

  17. Mediation Analysis

    OpenAIRE

    David P. MacKinnon; Fairchild, Amanda J.; Fritz, Matthew S.

    2007-01-01

    Mediating variables are prominent in psychological theory and research. A mediating variable transmits the effect of an independent variable on a dependent variable. Differences between mediating variables and confounders, moderators, and covariates are outlined. Statistical methods to assess mediation and modern comprehensive approaches are described. Future directions for mediation analysis are discussed.

  18. Frontier Analysis

    DEFF Research Database (Denmark)

    Assaf, A. George; Josiassen, Alexander

    2016-01-01

    and macro applications of these approaches, summarizing and critically reviewing the characteristics of the existing studies. We also conduct a meta-analysis to create an overview of the efficiency results of frontier applications. This allows for an investigation of the impact of frontier methodology...

  19. Exergy analysis

    DEFF Research Database (Denmark)

    Dovjak, M.; Simone, Angela; Kolarik, Jakub;

    2011-01-01

    Exergy analysis enables us to make connections among processes inside the human body and processes in a building. So far, only the effect of different combinations of air temperatures and mean radiant temperatures have been studied, with constant relative humidity in experimental conditions...

  20. Genetic analysis

    NARCIS (Netherlands)

    Koornneef, M.; Alonso-Blanco, C.; Stam, P.

    2006-01-01

    The Mendelian analysis of genetic variation, available as induced mutants or as natural variation, requires a number of steps that are described in this chapter. These include the determination of the number of genes involved in the observed trait's variation, the determination of dominance relation

  1. Synthesis and Analysis of Putative Terpene Oxidation Products and the Secondary Organic Aerosol Particles that Form from Them

    Science.gov (United States)

    Ebben, C. J.; Strick, B. F.; Upshur, M.; Shrestha, M.; Velarde, L.; Lu, Z.; Wang, H.; Xiao, D.; Batista, V. S.; Martin, S. T.; Thomson, R. J.; Geiger, F. M.

    2013-12-01

    atmosphere. This work will also aid in spectroscopic assignments, which are difficult due to the presence of non-normal modes in the SFG spectra.

  2. Analysis on discriminants based on Lg wave%基于Lg波识别判据的特性分析

    Institute of Scientific and Technical Information of China (English)

    何永锋; 赵克常; 姚国正; 张献兵; 马裕然

    2011-01-01

    Lg波是检测、识别地下核爆炸的重要震相.通常情况下,地下核爆炸的低频段Lg波能量相对较强,基于Lg波的识别判据在高频段表现较好.然而在低频范围内却表现出难以用球对称爆炸源模式解释的现象,如Lg/Pg判据在1 Hz附近失效等现象.本文利用理论地震图方法,分析了伴随层裂过程产生的重要辅助源——CLVD源对Lg波低频成分的调制作用,给出了基于Lg波的识别判据成功及失效的原因,并将层裂过程视为输入扰动,利用振型叠加原理,进一步解释了基于Lg波识别判据特性的物理机制.这对于更好地利用Lg波识别地下核爆炸,具有较好的参考意义.%Lg wave characteristic is widely used to discriminate underground nuclear explosions from earthquakes. In contrast, the high-frequency Lg/Pg discriminant appears to perform very well, but fails around 1 Hz. This phenomenon can not be explained by pure explosion source model, but the CLVD source appears to take a key role to explain it. In this paper, the effect of CLVD source on the performance of the discriminants based on Lg wave is studied by means of theoretical seismogram analysis. Considering the spall as an input of disturbance with special frequency, we proposed a physical mechanism of the performance of Lg/Pg based on the normal mode method. An understanding of the effect on Lg caused by CLVD source can be useful not only for improving the performance of existing regional discriminants, but also for exploring new discriminants.

  3. 振动筛筛箱模态特性分析及动强度校核%Modal Characteristic Analysis and Dynamic Strength Checking of the Vibrating Screen Box

    Institute of Scientific and Technical Information of China (English)

    苏梅; 童昕; 刘强; 张卡德; 王桂锋

    2011-01-01

    在总结工程经验,综合分析振动筛系统的基础上,采用三维软件建立了振动筛筛箱的参数化有限元模型,并讨论了建模中的问题.对振动筛筛箱进行模态分析,获得了筛箱前14阶固有频率和对应的主振型.对振动筛筛箱进行谐响应分析,确定了筛箱各结点处位移、动应力分布规律.根据仿真结果,进行了振动筛筛箱的动刚度及动强度校核.结果表明,所建立的有限元模型能较好反映筛箱的实际结构特点,可以满足应力分析的要求.由模态分析看出,筛箱固有频率和工作频率不重合,因此在工作中不会产生共振.由谐响应分析得出,动刚度及动强度满足设计要求.本研究为振动筛的大型化、重型化设计提供了理论依据.%Basec on practical experiences and comprehensive analysis of vibration screen system, a parameteri ed finite element model of Vibrating Screen Box was set up by a 3D software and the related issues in modeling were also discussed. The first 14 step natural frequencies and its relevant normal modes of the screen box were gained by modal analysis of the vibrating screen box. The distribution rule of all the nodes displacement and dynamic stress were identified by harmonic response simulation. Based on the simulation results, the dynamic rigidity and strength of the Vibrating Screen Box were checked. The results showed that the established finite element model of the screen box was well coincide with the actual structure, which also can satisfy the requirements of stress analysis. According to the modal analysis, the natural frequency is not coincident to working frequency, so there would be no resonance occur during work. According to the harmonic response analysis, the dynamic rigidity and strength of the screen box can meet the design requirement. This paper proposed a theoretical basis for designing large-sized and heavy-duty Vibrating Screens.

  4. Complex analysis

    CERN Document Server

    Freitag, Eberhard

    2005-01-01

    The guiding principle of this presentation of ``Classical Complex Analysis'' is to proceed as quickly as possible to the central results while using a small number of notions and concepts from other fields. Thus the prerequisites for understanding this book are minimal; only elementary facts of calculus and algebra are required. The first four chapters cover the essential core of complex analysis: - differentiation in C (including elementary facts about conformal mappings) - integration in C (including complex line integrals, Cauchy's Integral Theorem, and the Integral Formulas) - sequences and series of analytic functions, (isolated) singularities, Laurent series, calculus of residues - construction of analytic functions: the gamma function, Weierstrass' Factorization Theorem, Mittag-Leffler Partial Fraction Decomposition, and -as a particular highlight- the Riemann Mapping Theorem, which characterizes the simply connected domains in C. Further topics included are: - the theory of elliptic functions based on...

  5. Wavelet analysis

    CERN Document Server

    Cheng, Lizhi; Luo, Yong; Chen, Bo

    2014-01-01

    This book could be divided into two parts i.e. fundamental wavelet transform theory and method and some important applications of wavelet transform. In the first part, as preliminary knowledge, the Fourier analysis, inner product space, the characteristics of Haar functions, and concepts of multi-resolution analysis, are introduced followed by a description on how to construct wavelet functions both multi-band and multi wavelets, and finally introduces the design of integer wavelets via lifting schemes and its application to integer transform algorithm. In the second part, many applications are discussed in the field of image and signal processing by introducing other wavelet variants such as complex wavelets, ridgelets, and curvelets. Important application examples include image compression, image denoising/restoration, image enhancement, digital watermarking, numerical solution of partial differential equations, and solving ill-conditioned Toeplitz system. The book is intended for senior undergraduate stude...

  6. Mathematical analysis

    Science.gov (United States)

    Donaldson, J. A.

    1984-01-01

    Simple continuum models used in the design, analysis, and control of large space structures are examined. Particular emphasis is placed on boundary value problems associated with the Load Correction Method and control problems involving partial differential equations for the large space structure models. Partial differential equations will be used to model a large space structure, base the design of an optimal controller on this model, approximate the resulting optimal control model, and compare the results with data from other methods.

  7. Elastodynamic Analysis

    DEFF Research Database (Denmark)

    Andersen, Lars

    This book contains the lecture notes for the 9th semester course on elastodynamics. The first chapter gives an overview of the basic theory of stress waves propagating in viscoelastic media. In particular, the effect of surfaces and interfaces in a viscoelastic material is studied, and different ....... Thus, in Chapter 3, an alternative semi-analytic method is derived, which may be applied for the analysis of layered half-spaces subject to moving or stationary loads....

  8. Sensitivity analysis

    International Nuclear Information System (INIS)

    General remarks on sensitivity analysis, the study of changes in a model output produced by varying model inputs, are made first. Sampling methods are discussed, and three sensitivity measures: partial rank correlation, derivative or response surface, and partial variance are described. Some sample results for a 16-input, 13-output hydrodynamics model are given. Both agreement and disagreement were found among the sensitivity measures. 4 figures

  9. Economic analysis

    Energy Technology Data Exchange (ETDEWEB)

    None

    1980-06-01

    The Energy Policy and Conservation Act (EPCA) mandated that minimum energy efficiency standards be established for classes of refrigerators and refrigerator-freezers, freezers, clothes dryers, water heaters, room air conditioners, home heating equipment, kitchen ranges and ovens, central air conditioners, and furnaces. EPCA requires that standards be designed to achieve the maximum improvement in energy efficiency that is technologically feasible and economically justified. Following the introductory chapter, Chapter Two describes the methodology used in the economic analysis and its relationship to legislative criteria for consumer product efficiency assessment; details how the CPES Value Model systematically compared and evaluated the economic impacts of regulation on the consumer, manufacturer and Nation. Chapter Three briefly displays the results of the analysis and lists the proposed performance standards by product class. Chapter Four describes the reasons for developing a baseline forecast, characterizes the baseline scenario from which regulatory impacts were calculated and summarizes the primary models, data sources and assumptions used in the baseline formulations. Chapter Five summarizes the methodology used to calculate regulatory impacts; describes the impacts of energy performance standards relative to the baseline discussed in Chapter Four. Also discussed are regional standards and other program alternatives to performance standards. Chapter Six describes the procedure for balancing consumer, manufacturer, and national impacts to select standard levels. Details of models and data bases used in the analysis are included in Appendices A through K.

  10. On the use of attachment modes in substructure coupling for dynamic analysis

    Science.gov (United States)

    Craig, R. R., Jr.; Chang, C.-J.

    1977-01-01

    Substructure coupling or component-mode synthesis may be employed in the solution of dynamics problems for complex structures. Although numerous substructure-coupling methods have been devised, little attention has been devoted to methods employing attachment modes. In the present paper the various mode sets (normal modes, constraint modes, attachment modes) are defined. A generalized substructure-coupling procedure is described. Those substructure-coupling methods which employ attachment modes are described in detail. One of these methods is shown to lead to results (e.g., system natural frequencies) comparable to or better than those obtained by the Hurty (1965) method.

  11. Strategic analysis

    OpenAIRE

    Popovová, Šárka

    2015-01-01

    The aim of this bachelor thesis is to define basic methods, which are used for the preparation of a business strategy and to use those methods in a real situation. The theoretical part describes the methodology of external and internal analysis. The practical part then applies single methods such as PEST, VRIO, Porter`s five forces and value chain in order to define competitive advantages of Dr. Popov company. At the end of the Bachelor thesis will be assessment of the current situation and s...

  12. Vector analysis

    CERN Document Server

    Newell, Homer E

    2006-01-01

    When employed with skill and understanding, vector analysis can be a practical and powerful tool. This text develops the algebra and calculus of vectors in a manner useful to physicists and engineers. Numerous exercises (with answers) not only provide practice in manipulation but also help establish students' physical and geometric intuition in regard to vectors and vector concepts.Part I, the basic portion of the text, consists of a thorough treatment of vector algebra and the vector calculus. Part II presents the illustrative matter, demonstrating applications to kinematics, mechanics, and e

  13. Poetic Analysis

    DEFF Research Database (Denmark)

    Nielsen, Kirsten

    2010-01-01

    The first part of this article presents the characteristics of Hebrew poetry: features associated with rhythm and phonology, grammatical features, structural elements like parallelism, and imagery and intertextuality. The second part consists of an analysis of Psalm 121. It is argued that assonance...... and alliteration, parallelism and the widely use of imagery creates coherence in the psalm but at the same time ambiguity. According to the heading, the psalm is a song of ascents, but it can be read both as a psalm for pilgrimage and as a psalm of trust. The metaphors can be understood both as metaphors...

  14. Vector analysis

    CERN Document Server

    Brand, Louis

    2006-01-01

    The use of vectors not only simplifies treatments of differential geometry, mechanics, hydrodynamics, and electrodynamics, but also makes mathematical and physical concepts more tangible and easy to grasp. This text for undergraduates was designed as a short introductory course to give students the tools of vector algebra and calculus, as well as a brief glimpse into these subjects' manifold applications. The applications are developed to the extent that the uses of the potential function, both scalar and vector, are fully illustrated. Moreover, the basic postulates of vector analysis are brou

  15. Grammar Analysis

    Institute of Scientific and Technical Information of China (English)

    PEI Yuan-yuan

    2013-01-01

      As the development of the global communication all over the world, English has become the international language for the global communication. Furthermore, speaking as a skill in English language learning becomes more and more important. As it is known, spoken English has specific features, thus to gain an explicit understanding of the features data analysis is helpful. Moreover it is useful for language teacher to make development in teaching to satisfy learner’s needs. Grammatical and phonological are the two remarkable aspects and specific features in spoken language therefore to discover elements into these aspects seems helpful to teaching spoken Enlgish.

  16. Sequential analysis

    CERN Document Server

    Wald, Abraham

    2013-01-01

    In 1943, while in charge of Columbia University's Statistical Research Group, Abraham Wald devised Sequential Design, an innovative statistical inference system. Because the decision to terminate an experiment is not predetermined, sequential analysis can arrive at a decision much sooner and with substantially fewer observations than equally reliable test procedures based on a predetermined number of observations. The system's immense value was immediately recognized, and its use was restricted to wartime research and procedures. In 1945, it was released to the public and has since revolutio

  17. Understanding analysis

    CERN Document Server

    Abbott, Stephen

    2015-01-01

    This lively introductory text exposes the student to the rewards of a rigorous study of functions of a real variable. In each chapter, informal discussions of questions that give analysis its inherent fascination are followed by precise, but not overly formal, developments of the techniques needed to make sense of them. By focusing on the unifying themes of approximation and the resolution of paradoxes that arise in the transition from the finite to the infinite, the text turns what could be a daunting cascade of definitions and theorems into a coherent and engaging progression of ideas. Acutely aware of the need for rigor, the student is much better prepared to understand what constitutes a proper mathematical proof and how to write one. Fifteen years of classroom experience with the first edition of Understanding Analysis have solidified and refined the central narrative of the second edition. Roughly 150 new exercises join a selection of the best exercises from the first edition, and three more project-sty...

  18. ATMAN: Atomic Torsional Modal Analysis for high-resolution proteins

    CERN Document Server

    Tirion, Monique M

    2014-01-01

    We introduce a formulation for normal mode analyses of globular proteins that significantly improves on an earlier, 1-parameter formulation \\cite{tirion96} that characterized the slow modes associated with protein data bank structures. Here we develop that empirical potential function which is minimized at the outset to include two features essential to reproduce the eigenspectra and associated density of states over all frequencies, not merely the slow ones. First, introduction of preferred dihedral-angle configurations via use of torsional stiffness constants eliminates anomalous dispersion characteristics due to insufficiently bound surface sidechains. Second, we take into account the atomic identities and the distance of separation of all pairwise interactions. With these modifications we obtain stable, reliable eigenmodes over a wide range of frequencies.

  19. Numerical analysis of capacitive pressure micro-sensors

    Institute of Scientific and Technical Information of China (English)

    WANG; Xiaomin; LI; Mingxuan; WANG; Chenghao

    2005-01-01

    Pseudo-spectral method is used to numerically model the diaphragm deflection of capacitive pressure micro-sensor under uniform load. The relationship between the capacitance of the micro-sensor and the load is then analyzed after the description of the computational principle. For normal mode micro-sensor, the tensile force on the diaphragm can be ignored and thereby the capacitance increases linearly with the load increase only when the load is so small that the resultant deflection is less than the diaphragm thickness. The linear relationship between the capacitance and the load turns to be nonlinear thereafter and the capacitance rises dramatically with the constant increase of the load. For touch mode micro-sensor, an algorithm to determine the touch radius of the diaphragm and substrate is presented and the curve of capacitance versus load is shown on the numerical results laying a theoretical foundation for micro-sensor design.

  20. Analysis of boron carbides' electronic structure

    Science.gov (United States)

    Howard, Iris A.; Beckel, Charles L.

    1986-01-01

    The electronic properties of boron-rich icosahedral clusters were studied as a means of understanding the electronic structure of the icosahedral borides such as boron carbide. A lower bound was estimated on bipolaron formation energies in B12 and B11C icosahedra, and the associated distortions. While the magnitude of the distortion associated with bipolaron formation is similar in both cases, the calculated formation energies differ greatly, formation being much more favorable on B11C icosahedra. The stable positions of a divalent atom relative to an icosahedral borane was also investigated, with the result that a stable energy minimum was found when the atom is at the center of the borane, internal to the B12 cage. If incorporation of dopant atoms into B12 cages in icosahedral boride solids is feasible, novel materials might result. In addition, the normal modes of a B12H12 cluster, of the C2B10 cage in para-carborane, and of a B12 icosahedron of reduced (D sub 3d) symmetry, such as is found in the icosahedral borides, were calculated. The nature of these vibrational modes will be important in determining, for instance, the character of the electron-lattice coupling in the borides, and in analyzing the lattice contribution to the thermal conductivity.

  1. Uncertainty analysis

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, R.E.

    1982-03-01

    An evaluation is made of the suitability of analytical and statistical sampling methods for making uncertainty analyses. The adjoint method is found to be well-suited for obtaining sensitivity coefficients for computer programs involving large numbers of equations and input parameters. For this purpose the Latin Hypercube Sampling method is found to be inferior to conventional experimental designs. The Latin hypercube method can be used to estimate output probability density functions, but requires supplementary rank transformations followed by stepwise regression to obtain uncertainty information on individual input parameters. A simple Cork and Bottle problem is used to illustrate the efficiency of the adjoint method relative to certain statistical sampling methods. For linear models of the form Ax=b it is shown that a complete adjoint sensitivity analysis can be made without formulating and solving the adjoint problem. This can be done either by using a special type of statistical sampling or by reformulating the primal problem and using suitable linear programming software.

  2. Matrix analysis

    CERN Document Server

    Bhatia, Rajendra

    1997-01-01

    A good part of matrix theory is functional analytic in spirit. This statement can be turned around. There are many problems in operator theory, where most of the complexities and subtleties are present in the finite-dimensional case. My purpose in writing this book is to present a systematic treatment of methods that are useful in the study of such problems. This book is intended for use as a text for upper division and gradu­ ate courses. Courses based on parts of the material have been given by me at the Indian Statistical Institute and at the University of Toronto (in collaboration with Chandler Davis). The book should also be useful as a reference for research workers in linear algebra, operator theory, mathe­ matical physics and numerical analysis. A possible subtitle of this book could be Matrix Inequalities. A reader who works through the book should expect to become proficient in the art of deriving such inequalities. Other authors have compared this art to that of cutting diamonds. One first has to...

  3. Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation.

    Science.gov (United States)

    Andrés, Juan; Berski, Sławomir; Silvi, Bernard

    2016-07-01

    or pseudo VSEPR when the position of bonding and non-bonding domains are interchanged. VSEPR defective arrangements increase the electrophilic character of the site whereas the VSEPR compliant arrangements anticipate the formation of a new covalent bond. The frequencies of the normal modes which account for the reaction coordinate provide additional information on the succession of the density transfers. This simple model is shown to yield results in very good agreement with those obtained by BET. PMID:27218123

  4. Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation.

    Science.gov (United States)

    Andrés, Juan; Berski, Sławomir; Silvi, Bernard

    2016-07-01

    or pseudo VSEPR when the position of bonding and non-bonding domains are interchanged. VSEPR defective arrangements increase the electrophilic character of the site whereas the VSEPR compliant arrangements anticipate the formation of a new covalent bond. The frequencies of the normal modes which account for the reaction coordinate provide additional information on the succession of the density transfers. This simple model is shown to yield results in very good agreement with those obtained by BET.

  5. Pericardial Fluid Analysis

    Science.gov (United States)

    ... Home Visit Global Sites Search Help? Pericardial Fluid Analysis Share this page: Was this page helpful? Formal name: Pericardial Fluid Analysis Related tests: Pleural Fluid Analysis , Peritoneal Fluid Analysis , ...

  6. Peritoneal Fluid Analysis

    Science.gov (United States)

    ... Home Visit Global Sites Search Help? Peritoneal Fluid Analysis Share this page: Was this page helpful? Formal name: Peritoneal Fluid Analysis Related tests: Pleural Fluid Analysis , Pericardial Fluid Analysis , ...

  7. Information security risk analysis

    CERN Document Server

    Peltier, Thomas R

    2001-01-01

    Effective Risk AnalysisQualitative Risk AnalysisValue AnalysisOther Qualitative MethodsFacilitated Risk Analysis Process (FRAP)Other Uses of Qualitative Risk AnalysisCase StudyAppendix A: QuestionnaireAppendix B: Facilitated Risk Analysis Process FormsAppendix C: Business Impact Analysis FormsAppendix D: Sample of ReportAppendix E: Threat DefinitionsAppendix F: Other Risk Analysis OpinionsIndex

  8. System analysis and design

    International Nuclear Information System (INIS)

    This book deals with information technology and business process, information system architecture, methods of system development, plan on system development like problem analysis and feasibility analysis, cases for system development, comprehension of analysis of users demands, analysis of users demands using traditional analysis, users demands analysis using integrated information system architecture, system design using integrated information system architecture, system implementation, and system maintenance.

  9. Theoretical numerical analysis a functional analysis framework

    CERN Document Server

    Atkinson, Kendall

    2005-01-01

    This textbook prepares graduate students for research in numerical analysis/computational mathematics by giving to them a mathematical framework embedded in functional analysis and focused on numerical analysis. This helps the student to move rapidly into a research program. The text covers basic results of functional analysis, approximation theory, Fourier analysis and wavelets, iteration methods for nonlinear equations, finite difference methods, Sobolev spaces and weak formulations of boundary value problems, finite element methods, elliptic variational inequalities and their numerical solu

  10. [Allergen analysis].

    Science.gov (United States)

    Röder, Martin; Weber, Wolfgang

    2016-07-01

    The fundamental requirement when testing for and ensuring compliance with legally required labelling regulations is the reliable analysis of food allergens. This can be carried out by means of either DNA (deoxyribonucleic acid) or protein detection. Protein detection has the advantage of directly detecting the allergenic component and can currently be carried out using immunological (enzyme-linked immunosorbent assay [ELISA])/lateral flow devices [LFD]) or mass spectrometry-based techniques. DNA detection is indirect, but allows the presence of food allergens to be validated through the use of another marker. Each method has its pros and cons, which have to be considered on a case-by-case basis. ELISA is quantitative, quick and easy to carry out and has high sensitivity. LFD testing is ideal for industrial applications, as the tests can be carried out on-site. Both antibody-based tests may have problems with processed foods and false positive results. Mass-spectrometric techniques show a lot of promise, but are currently still time-consuming and complex to carry out. They also run into problems with processed foods and their degree of sensitivity is matrix and parameter dependent. For these reasons, this technique is only occasionally used. Polymerase chain reaction (PCR) provides the highest specificity and, depending on the target sequence, a very good to good level of sensitivity. Despite the high stability of DNA, PCR is still subject to the influence of processing and matrix related factors. Due to natural variation and production-related changes in the structures relevant in the process of detection, all methods exhibit a relatively high level of uncertainty of measurement. At present, there is no method which provides the absolute correct quantification. However, by means of laboratory-based analyses it is possible to calibrate for the allergen in question and thus be able to make reliable measurements using methods that are already available. PMID

  11. Experiences in interfacing NASTRAN with another finite element program

    Science.gov (United States)

    Schwerzler, D. D.; Leverenz, R. K.

    1972-01-01

    The coupling of NASTRAN to another finite element program developed for the static analysis of automotive structures is discussed. The two programs were coupled together to use the substructuring capability of the in-house program and the normal mode analysis capability of NASTRAN. Modifications were made to the NASTRAN program in order to make the coupling feasible.

  12. Simultaneous linear optics and coupling correction for storage rings with turn-by-turn beam position monitor data

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xi [Brookhaven National Lab. (BNL), Upton, NY (United States); Huang, Xiaobiao [SLAC National Accelerator Lab., Menlo Park, CA (United States)

    2015-11-10

    We propose a method to simultaneously correct linear optics errors and linear coupling for storage rings using turn-by-turn (TbT) beam position monitor (BPM) data. The independent component analysis (ICA) method is used to isolate the betatron normal modes from the measured TbT BPM data. The betatron amplitudes and phase advances of the projections of the normal modes on the horizontal and vertical planes are then extracted, which, combined with dispersion measurement, are used to fit the lattice model. Furthermore, the fitting results are used for lattice correction. Our method has been successfully demonstrated on the NSLS-II storage ring.

  13. A method for simultaneous linear optics and coupling correction for storage rings with turn-by-turn beam position monitor data

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xi [Brookhaven National Lab. (BNL), Upton, NY (United States); Huang, Xiaobiao [SLAC National Accelerator Lab., Menlo Park, CA (United States)

    2016-08-01

    We propose a method to simultaneously correct linear optics errors and linear coupling for storage rings using turn-by-turn (TbT) beam position monitor (BPM) data. The independent component analysis (ICA) method is used to isolate the betatron normal modes from the measured TbT BPM data. The betatron amplitudes and phase advances of the projections of the normal modes on the horizontal and vertical planes are then extracted, which, combined with dispersion measurement, are used to fit the lattice model. Furthermore, the fitting results are used for lattice correction. Our method has been successfully demonstrated on the NSLS-II storage ring.

  14. Experimental and numerical identification of structural modes for engineering education

    Directory of Open Access Journals (Sweden)

    Borković Aleksandar

    2014-01-01

    Full Text Available Development of simple classroom demonstration device and software for visualization of structural normal modes is presented. Device is made of parts of old speaker, controlled with personal computer, where the harmonic motion of solenoid is used as an excitation for beam and plate models. Simple code for finite element free vibration analysis of plates is written in Wolfram Mathematica. Good agreement of results and attractive visual patterns of normal modes attracted attention of students. Results are confirmed using modern modal testing methods. Presented approach is complementary to standard teaching of structural dynamics.

  15. Simultaneous linear optics and coupling correction for storage rings with turn-by-turn beam position monitor data

    CERN Document Server

    Yang, Xi

    2015-01-01

    We propose a method to simultaneously correct linear optics errors and linear coupling for storage rings using turn-by-turn (TbT) beam position monitor (BPM) data. The independent component analysis (ICA) method is used to isolate the betatron normal modes from the measured TbT BPM data. The betatron amplitudes and phase advances of the projections of the normal modes on the horizontal and vertical planes are then extracted, which, combined with dispersion measurement, are used to fit the lattice model. The fitting results are used for lattice correction. The method has been successfully demonstrated on the NSLS-II storage ring.

  16. A method for simultaneous linear optics and coupling correction for storage rings with turn-by-turn beam position monitor data

    Science.gov (United States)

    Yang, Xi; Huang, Xiaobiao

    2016-08-01

    We propose a method to simultaneously correct linear optics errors and linear coupling for storage rings using turn-by-turn (TbT) beam position monitor (BPM) data. The independent component analysis (ICA) method is used to isolate the betatron normal modes from the measured TbT BPM data. The betatron amplitudes and phase advances of the projections of the normal modes on the horizontal and vertical planes are then extracted, which, combined with dispersion measurement, are used to fit the lattice model. The fitting results are used for lattice correction. The method has been successfully demonstrated on the NSLS-II storage ring.

  17. Forensic activation analysis

    International Nuclear Information System (INIS)

    Basic principles of neutron activation analysis are outlined. Examples of its use in police science include analysis for gunshot residues, toxic element determinations and multielement comparisons. Advantages of neutron activation analysis over other techniques are described. (R.L.)

  18. Handbook of Applied Analysis

    CERN Document Server

    Papageorgiou, Nikolaos S

    2009-01-01

    Offers an examination of important theoretical methods and procedures in applied analysis. This book details the important theoretical trends in nonlinear analysis and applications to different fields. It is suitable for those working on nonlinear analysis.

  19. Shape analysis in medical image analysis

    CERN Document Server

    Tavares, João

    2014-01-01

    This book contains thirteen contributions from invited experts of international recognition addressing important issues in shape analysis in medical image analysis, including techniques for image segmentation, registration, modelling and classification, and applications in biology, as well as in cardiac, brain, spine, chest, lung and clinical practice. This volume treats topics such as, anatomic and functional shape representation and matching; shape-based medical image segmentation; shape registration; statistical shape analysis; shape deformation; shape-based abnormity detection; shape tracking and longitudinal shape analysis; machine learning for shape modeling and analysis; shape-based computer-aided-diagnosis; shape-based medical navigation; benchmark and validation of shape representation, analysis and modeling algorithms. This work will be of interest to researchers, students, and manufacturers in the fields of artificial intelligence, bioengineering, biomechanics, computational mechanics, computationa...

  20. Rationalization of Product Selectivities in Asymmetric Horner-Wadsworth-Emmons Reactions by Use of a New Method for Transition-State Modeling

    DEFF Research Database (Denmark)

    Norrby, Per-Ola; Brandt, Peter; Rein, Tobias

    1999-01-01

    A new method for creating a transition-state force field, based on quantum chemical normal-mode analysis, is described. The force field was used to rationalize the experimentally observed product selectivities in asymmetric Horner-Wadsworth-Emmons reactions between some chiral phosphonates...

  1. String-Coupled Pendulum Oscillators: Theory and Experiment.

    Science.gov (United States)

    Moloney, Michael J.

    1978-01-01

    A coupled-oscillator system is given which is readily set up, using only household materials. The normal-mode analysis of this system is worked out, and an experiment or demonstration is recommended in which one verifies the theory by measuring two times and four lengths. (Author/GA)

  2. Multiple oscillatory modes of the Argentine Basin. Part II. The spectral origin of the basin modes

    NARCIS (Netherlands)

    Weijer, W.; Vevier, F.; Gille, S.T.; Dijkstra, H.A.

    2007-01-01

    In this paper the spectrum of barotropic basin modes of the Argentine Basin is shown to be connected to the classical Rossby basin modes of a flat-bottom (constant depth), rectangular basin. First, the spectrum of basin modes is calculated for the Argentine Basin, by performing a normal-mode analysi

  3. Twenty-four near-instabilities of Caspar-Klug viruses

    NARCIS (Netherlands)

    Englert, F.; Peeters, K.; Taormina, A.

    2008-01-01

    Group theoretical arguments combined with normal mode analysis techniques are applied to a coarse-grained approximation of icosahedral viral capsids which incorporates areas of variable flexibility. This highlights a remarkable structure of the low-frequency spectrum in this approximation, namely, t

  4. Twenty-four near-instabilities of Caspar-Klug viruses

    Science.gov (United States)

    Englert, François; Peeters, Kasper; Taormina, Anne

    2008-09-01

    Group theoretical arguments combined with normal mode analysis techniques are applied to a coarse-grained approximation of icosahedral viral capsids which incorporates areas of variable flexibility. This highlights a remarkable structure of the low-frequency spectrum in this approximation, namely, the existence of a plateau of 24 near zero modes with universal group theory content.

  5. Growth factors for Marangoni instability in a spherical liquid layer under zero-gravity conditions

    NARCIS (Netherlands)

    Hoefsloot, H.C.J.; Hoogstraten, H.W.; Janssen, L.P.B.M.; Knobbe, J.W.

    1992-01-01

    The neutral-stability analysis presented earlier is completed by computing the growth factors β for the normal modes and by showing that the neutral states (Re(β)=0) are stationary (Im(β)=0) rather than oscillatory (Im(β)≠0).

  6. Foundations of factor analysis

    CERN Document Server

    Mulaik, Stanley A

    2009-01-01

    Introduction Factor Analysis and Structural Theories Brief History of Factor Analysis as a Linear Model Example of Factor AnalysisMathematical Foundations for Factor Analysis Introduction Scalar AlgebraVectorsMatrix AlgebraDeterminants Treatment of Variables as Vectors Maxima and Minima of FunctionsComposite Variables and Linear Transformations Introduction Composite Variables Unweighted Composite VariablesDifferentially Weighted Composites Matrix EquationsMulti

  7. Critical Discourse Analysis

    Institute of Scientific and Technical Information of China (English)

    杜梅香

    2006-01-01

    This paper is about the discourse analysis and illustrate the approach to analysis the Critical discourses and the discourses about the educational situation of China. And it also includes the condensed theoretical support of the Critical discourse analysis and analysis of the sample I of the discourses between an illiterate person and the literate.

  8. EDA noise analysis

    International Nuclear Information System (INIS)

    Using orCAD Pspice EDA software, the circuit simulation and the analysis such as transient analysis, noise analysis, temperature analysis, are made for charge-sensitive preamplifier. By calculation and comparison, the result shows circuit noise responses according to the temperature changes. (authors)

  9. Quantitative analysis chemistry

    International Nuclear Information System (INIS)

    This book is about quantitative analysis chemistry. It is divided into ten chapters, which deal with the basic conception of material with the meaning of analysis chemistry and SI units, chemical equilibrium, basic preparation for quantitative analysis, introduction of volumetric analysis, acid-base titration of outline and experiment examples, chelate titration, oxidation-reduction titration with introduction, titration curve, and diazotization titration, precipitation titration, electrometric titration and quantitative analysis.

  10. K Basin Hazard Analysis

    Energy Technology Data Exchange (ETDEWEB)

    PECH, S.H.

    2000-08-23

    This report describes the methodology used in conducting the K Basins Hazard Analysis, which provides the foundation for the K Basins Final Safety Analysis Report. This hazard analysis was performed in accordance with guidance provided by DOE-STD-3009-94, Preparation Guide for U. S. Department of Energy Nonreactor Nuclear Facility Safety Analysis Reports and implements the requirements of DOE Order 5480.23, Nuclear Safety Analysis Report.

  11. Analysis of Precision of Activation Analysis Method

    DEFF Research Database (Denmark)

    Heydorn, Kaj; Nørgaard, K.

    1973-01-01

    The precision of an activation-analysis method prescribes the estimation of the precision of a single analytical result. The adequacy of these estimates to account for the observed variation between duplicate results from the analysis of different samples and materials, is tested by the statistic T...

  12. Hazard Analysis Database Report

    CERN Document Server

    Grams, W H

    2000-01-01

    The Hazard Analysis Database was developed in conjunction with the hazard analysis activities conducted in accordance with DOE-STD-3009-94, Preparation Guide for U S . Department of Energy Nonreactor Nuclear Facility Safety Analysis Reports, for HNF-SD-WM-SAR-067, Tank Farms Final Safety Analysis Report (FSAR). The FSAR is part of the approved Authorization Basis (AB) for the River Protection Project (RPP). This document describes, identifies, and defines the contents and structure of the Tank Farms FSAR Hazard Analysis Database and documents the configuration control changes made to the database. The Hazard Analysis Database contains the collection of information generated during the initial hazard evaluations and the subsequent hazard and accident analysis activities. The Hazard Analysis Database supports the preparation of Chapters 3 ,4 , and 5 of the Tank Farms FSAR and the Unreviewed Safety Question (USQ) process and consists of two major, interrelated data sets: (1) Hazard Analysis Database: Data from t...

  13. Comparative Analysis of IR and Vibrational Circular Dichroism Spectra for a Series of Camphor-Related Molecules

    Science.gov (United States)

    Abbate, Sergio; Burgi, Luigi Filippo; Gangemi, Fabrizio; Gangemi, Roberto; Lebon, France; Longhi, Giovanna; Pultz, Vaughan M.; Lightner, David A.

    2009-09-01

    The absorption spectra and vibrational circular dichroism (VCD) spectra in the mid-IR range 1600-950 cm-1 of 10 camphor-related compounds have been recorded and compared to DFT calculated spectra at the B3PW91/TZ2P level and have been examined together with the corresponding data of the parent molecules. The rigidity of the bridged structure common to all compounds investigated permits (a) identification of three spectroscopic regions in the mid-IR range that can be "used" separately by the interested stereochemist for structural diagnosis and assignment of some major characteristics of the VCD spectra in these regions to what we call "skeletal chiral sense" and (b) recognition of possible conformers for flexible substituent groups, when present. VCD spectra of the 10 molecules have been recorded and analyzed also in the CH-stretching region, 3100-2800 cm-1. Here, we have been able to identify and characterize features of vibrational excitons by comparison of data within the 10-molecule class. To find a theoretical justification of result (a), we have examined the potential energy distribution of the normal modes in the mid-IR range, the partitioning of the calculated rotational strengths in terms of contributions from all couples of internal coordinates, the angle formed by the two vectors, the electric dipole transition moment and the magnetic dipole transition moment, and finally the overlap of normal modes of different molecules. A discussion is provided as to the usability of the introduced algorithms.

  14. Cluster analysis for applications

    CERN Document Server

    Anderberg, Michael R

    1973-01-01

    Cluster Analysis for Applications deals with methods and various applications of cluster analysis. Topics covered range from variables and scales to measures of association among variables and among data units. Conceptual problems in cluster analysis are discussed, along with hierarchical and non-hierarchical clustering methods. The necessary elements of data analysis, statistics, cluster analysis, and computer implementation are integrated vertically to cover the complete path from raw data to a finished analysis.Comprised of 10 chapters, this book begins with an introduction to the subject o

  15. Circuit analysis for dummies

    CERN Document Server

    Santiago, John

    2013-01-01

    Circuits overloaded from electric circuit analysis? Many universities require that students pursuing a degree in electrical or computer engineering take an Electric Circuit Analysis course to determine who will ""make the cut"" and continue in the degree program. Circuit Analysis For Dummies will help these students to better understand electric circuit analysis by presenting the information in an effective and straightforward manner. Circuit Analysis For Dummies gives you clear-cut information about the topics covered in an electric circuit analysis courses to help

  16. Event history analysis: overview

    DEFF Research Database (Denmark)

    Keiding, Niels

    2001-01-01

    Survival analysis, Multi-state models, Counting processes, Aalen-Johansen estimator, Markov processes......Survival analysis, Multi-state models, Counting processes, Aalen-Johansen estimator, Markov processes...

  17. RISK ANALYSIS DEVELOPED MODEL

    Directory of Open Access Journals (Sweden)

    Georgiana Cristina NUKINA

    2012-07-01

    Full Text Available Through Risk analysis developed model deciding whether control measures suitable for implementation. However, the analysis determines whether the benefits of a data control options cost more than the implementation.

  18. Synovial fluid analysis

    Science.gov (United States)

    Joint fluid analysis; Joint fluid aspiration ... El-Gabalawy HS. Synovial fluid analysis, synovial biopsy, and synovial pathology. In: Firestein GS, Budd RC, Gabriel SE, McInnes IB, O'Dell JR, eds. Kelly's Textbook of ...

  19. Buildings Sector Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Hostick, Donna J.; Nicholls, Andrew K.; McDonald, Sean C.; Hollomon, Jonathan B.

    2005-08-01

    A joint NREL, ORNL, and PNNL team conducted market analysis to help inform DOE/EERE's Weatherization and Intergovernmental Program planning and management decisions. This chapter presents the results of the market analysis for the Buildings sector.

  20. Linear Stability Analysis of Double Diffusive Convection in a Horizontal Sparsely Packed Rotating Anisotropic Porous Layer in Presence of Soret Effect

    Directory of Open Access Journals (Sweden)

    S.N. Gaikwad

    2014-01-01

    Full Text Available In this paper, we have investigated theoretically the effect of Soret parameter on the onset of double diffusive rotating anisotropic convection in a horizontal sparsely packed porous layer using linear stability theory which is based on the usual normal mode technique. The Brinkman model that includes the Coriolis term is employed for the momentum equation. The effect of anisotropy parameters, Soret parameter, solute Rayleigh number, Taylor number, Lewis number, Darcy and Darcy Prandtl number on stationary and oscillatory convection is shown graphically.

  1. NASA Hazard Analysis Process

    Science.gov (United States)

    Deckert, George

    2010-01-01

    This viewgraph presentation reviews The NASA Hazard Analysis process. The contents include: 1) Significant Incidents and Close Calls in Human Spaceflight; 2) Subsystem Safety Engineering Through the Project Life Cycle; 3) The Risk Informed Design Process; 4) Types of NASA Hazard Analysis; 5) Preliminary Hazard Analysis (PHA); 6) Hazard Analysis Process; 7) Identify Hazardous Conditions; 8) Consider All Interfaces; 9) Work a Preliminary Hazard List; 10) NASA Generic Hazards List; and 11) Final Thoughts

  2. Applied longitudinal analysis

    CERN Document Server

    Fitzmaurice, Garrett M; Ware, James H

    2012-01-01

    Praise for the First Edition "". . . [this book] should be on the shelf of everyone interested in . . . longitudinal data analysis.""-Journal of the American Statistical Association   Features newly developed topics and applications of the analysis of longitudinal data Applied Longitudinal Analysis, Second Edition presents modern methods for analyzing data from longitudinal studies and now features the latest state-of-the-art techniques. The book emphasizes practical, rather than theoretical, aspects of methods for the analysis of diverse types of lo

  3. Biological sequence analysis

    DEFF Research Database (Denmark)

    Durbin, Richard; Eddy, Sean; Krogh, Anders Stærmose;

    This book provides an up-to-date and tutorial-level overview of sequence analysis methods, with particular emphasis on probabilistic modelling. Discussed methods include pairwise alignment, hidden Markov models, multiple alignment, profile searches, RNA secondary structure analysis, and phylogene......This book provides an up-to-date and tutorial-level overview of sequence analysis methods, with particular emphasis on probabilistic modelling. Discussed methods include pairwise alignment, hidden Markov models, multiple alignment, profile searches, RNA secondary structure analysis...

  4. Analysis of Business Environment

    OpenAIRE

    Horáková, Eva

    2012-01-01

    This bachelor's theses deals with analysis of the entrepreneurial environment of the company ALBO okna - dveře, s.r.o. . With the help of SWOT analysis, passportisation and Porter's analysis of five rival companies an analysis of the entrepreneurial environment, in which the company ALBO okna - dveře, s.r.o. is situated, will be carried out. This theses also comprises the evaluation of opportunities and risks resulting from the given entrepreneurial environment.

  5. SOFAS: Software Analysis Services

    OpenAIRE

    Ghezzi, G

    2010-01-01

    We propose a distributed and collaborative software analysis platform to enable seamless interoperability of software analysis tools across platform, geographical and organizational boundaries. In particular, we devise software analysis tools as services that can be accessed and composed over the Internet. These distributed services shall be widely accessible through a software analysis broker where organizations and research groups can register and share their tools. To enable (semi)-automat...

  6. Regression analysis by example

    CERN Document Server

    Chatterjee, Samprit

    2012-01-01

    Praise for the Fourth Edition: ""This book is . . . an excellent source of examples for regression analysis. It has been and still is readily readable and understandable."" -Journal of the American Statistical Association Regression analysis is a conceptually simple method for investigating relationships among variables. Carrying out a successful application of regression analysis, however, requires a balance of theoretical results, empirical rules, and subjective judgment. Regression Analysis by Example, Fifth Edition has been expanded

  7. Neutron Activation Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Corliss, William R.

    1968-01-01

    In activation analysis, a sample of an unknown material is first irradiated (activated) with nuclear particles. In practice these nuclear particles are almost always neutrons. The success of activation analysis depends upon nuclear reactions which are completely independent of an atom's chemical associations. The value of activation analysis as a research tool was recognized almost immediately upon the discovery of artificial radioactivity. This book discusses activation analysis experiments, applications and technical considerations.

  8. Computational movement analysis

    CERN Document Server

    Laube, Patrick

    2014-01-01

    This SpringerBrief discusses the characteristics of spatiotemporal movement data, including uncertainty and scale. It investigates three core aspects of Computational Movement Analysis: Conceptual modeling of movement and movement spaces, spatiotemporal analysis methods aiming at a better understanding of movement processes (with a focus on data mining for movement patterns), and using decentralized spatial computing methods in movement analysis. The author presents Computational Movement Analysis as an interdisciplinary umbrella for analyzing movement processes with methods from a range of fi

  9. Discourse analysis and Foucault's

    Directory of Open Access Journals (Sweden)

    Jansen I.

    2008-01-01

    Full Text Available Discourse analysis is a method with up to now was less recognized in nursing science, althoughmore recently nursing scientists are discovering it for their purposes. However, several authors have criticized thatdiscourse analysis is often misinterpreted because of a lack of understanding of its theoretical backgrounds. In thisarticle, I reconstruct Foucault’s writings in his “Archaeology of Knowledge” to provide a theoretical base for futurearchaeological discourse analysis, which can be categorized as a socio-linguistic discourse analysis.

  10. Extending Scalasca's analysis features

    OpenAIRE

    Lorenz, Daniel; Böhme, David; Mohr, Bernd; Strube, Alexandre; Szebenyi, Zoltan

    2013-01-01

    Scalasca is a performance analysis tool, which parses the trace of an application run for certain patterns that indicate performance inefficiencies. In this paper, we present recently developed new features in Scalasaca. In particular, we describe two newly implemented analysis methods: the root cause analysis which tries to identify the cause of a delay and the critical path analysis, which analyses the path of execution that determines the application runtime. Furthermore, we present time-s...

  11. Bayesian Mediation Analysis

    OpenAIRE

    Yuan, Ying; MacKinnon, David P.

    2009-01-01

    This article proposes Bayesian analysis of mediation effects. Compared to conventional frequentist mediation analysis, the Bayesian approach has several advantages. First, it allows researchers to incorporate prior information into the mediation analysis, thus potentially improving the efficiency of estimates. Second, under the Bayesian mediation analysis, inference is straightforward and exact, which makes it appealing for studies with small samples. Third, the Bayesian approach is conceptua...

  12. Data analysis for chemistry

    CERN Document Server

    Hibbert, DBrynn

    2005-01-01

    Based on D Brynn Hibbert''s lectures on data analysis to undergraduates and graduate students, this book covers topics including measurements, means and confidence intervals, hypothesis testing, analysis of variance, and calibration models. It is meant as an entry level book targeted at learning and teaching undergraduate data analysis.

  13. Practical data analysis

    CERN Document Server

    Cuesta, Hector

    2013-01-01

    Each chapter of the book quickly introduces a key 'theme' of Data Analysis, before immersing you in the practical aspects of each theme. You'll learn quickly how to perform all aspects of Data Analysis.Practical Data Analysis is a book ideal for home and small business users who want to slice & dice the data they have on hand with minimum hassle.

  14. Bayesian Mediation Analysis

    Science.gov (United States)

    Yuan, Ying; MacKinnon, David P.

    2009-01-01

    In this article, we propose Bayesian analysis of mediation effects. Compared with conventional frequentist mediation analysis, the Bayesian approach has several advantages. First, it allows researchers to incorporate prior information into the mediation analysis, thus potentially improving the efficiency of estimates. Second, under the Bayesian…

  15. Strategic Analysis Overview

    Science.gov (United States)

    Cirillo, William M.; Earle, Kevin D.; Goodliff, Kandyce E.; Reeves, J. D.; Stromgren, Chel; Andraschko, Mark R.; Merrill, R. Gabe

    2008-01-01

    NASA s Constellation Program employs a strategic analysis methodology in providing an integrated analysis capability of Lunar exploration scenarios and to support strategic decision-making regarding those scenarios. The strategic analysis methodology integrates the assessment of the major contributors to strategic objective satisfaction performance, affordability, and risk and captures the linkages and feedbacks between all three components. Strategic analysis supports strategic decision making by senior management through comparable analysis of alternative strategies, provision of a consistent set of high level value metrics, and the enabling of cost-benefit analysis. The tools developed to implement the strategic analysis methodology are not element design and sizing tools. Rather, these models evaluate strategic performance using predefined elements, imported into a library from expert-driven design/sizing tools or expert analysis. Specific components of the strategic analysis tool set include scenario definition, requirements generation, mission manifesting, scenario lifecycle costing, crew time analysis, objective satisfaction benefit, risk analysis, and probabilistic evaluation. Results from all components of strategic analysis are evaluated a set of pre-defined figures of merit (FOMs). These FOMs capture the high-level strategic characteristics of all scenarios and facilitate direct comparison of options. The strategic analysis methodology that is described in this paper has previously been applied to the Space Shuttle and International Space Station Programs and is now being used to support the development of the baseline Constellation Program lunar architecture. This paper will present an overview of the strategic analysis methodology and will present sample results from the application of the strategic analysis methodology to the Constellation Program lunar architecture.

  16. Foundations of mathematical analysis

    CERN Document Server

    Johnsonbaugh, Richard

    2010-01-01

    This classroom-tested volume offers a definitive look at modern analysis, with views of applications to statistics, numerical analysis, Fourier series, differential equations, mathematical analysis, and functional analysis. Upper-level undergraduate students with a background in calculus will benefit from its teachings, along with beginning graduate students seeking a firm grounding in modern analysis. A self-contained text, it presents the necessary background on the limit concept, and the first seven chapters could constitute a one-semester introduction to limits. Subsequent chapters discuss

  17. Mathematical analysis fundamentals

    CERN Document Server

    Bashirov, Agamirza

    2014-01-01

    The author's goal is a rigorous presentation of the fundamentals of analysis, starting from elementary level and moving to the advanced coursework. The curriculum of all mathematics (pure or applied) and physics programs include a compulsory course in mathematical analysis. This book will serve as can serve a main textbook of such (one semester) courses. The book can also serve as additional reading for such courses as real analysis, functional analysis, harmonic analysis etc. For non-math major students requiring math beyond calculus, this is a more friendly approach than many math-centric o

  18. Gabriel Data Analysis (GDA): from data analysis to food analysis

    OpenAIRE

    OLIVE, Gilles

    2011-01-01

    GDA is a software belonging to the Gabriel package and is devoted to data analysis. Year after year some new features have been introduced and the latest introductions are more dedicated to food. GDA is built around modules and we describe here the most widely used in food chemistry. GDA can be obtained free of charge upon request.

  19. Multivariate analysis with LISREL

    CERN Document Server

    Jöreskog, Karl G; Y Wallentin, Fan

    2016-01-01

    This book traces the theory and methodology of multivariate statistical analysis and shows how it can be conducted in practice using the LISREL computer program. It presents not only the typical uses of LISREL, such as confirmatory factor analysis and structural equation models, but also several other multivariate analysis topics, including regression (univariate, multivariate, censored, logistic, and probit), generalized linear models, multilevel analysis, and principal component analysis. It provides numerous examples from several disciplines and discusses and interprets the results, illustrated with sections of output from the LISREL program, in the context of the example. The book is intended for masters and PhD students and researchers in the social, behavioral, economic and many other sciences who require a basic understanding of multivariate statistical theory and methods for their analysis of multivariate data. It can also be used as a textbook on various topics of multivariate statistical analysis.

  20. http Log Analysis

    DEFF Research Database (Denmark)

    Bøving, Kristian Billeskov; Simonsen, Jesper

    2004-01-01

    This article documents how log analysis can inform qualitative studies concerning the usage of web-based information systems (WIS). No prior research has used http log files as data to study collaboration between multiple users in organisational settings. We investigate how to perform http log...... analysis; what http log analysis says about the nature of collaborative WIS use; and how results from http log analysis may support other data collection methods such as surveys, interviews, and observation. The analysis of log files initially lends itself to research designs, which serve to test...... hypotheses using a quantitative methodology. We show that http log analysis can also be valuable in qualitative research such as case studies. The results from http log analysis can be triangulated with other data sources and for example serve as a means of supporting the interpretation of interview data...

  1. The ATLAS Analysis Model

    CERN Multimedia

    Amir Farbin

    The ATLAS Analysis Model is a continually developing vision of how to reconcile physics analysis requirements with the ATLAS offline software and computing model constraints. In the past year this vision has influenced the evolution of the ATLAS Event Data Model, the Athena software framework, and physics analysis tools. These developments, along with the October Analysis Model Workshop and the planning for CSC analyses have led to a rapid refinement of the ATLAS Analysis Model in the past few months. This article introduces some of the relevant issues and presents the current vision of the future ATLAS Analysis Model. Event Data Model The ATLAS Event Data Model (EDM) consists of several levels of details, each targeted for a specific set of tasks. For example the Event Summary Data (ESD) stores calorimeter cells and tracking system hits thereby permitting many calibration and alignment tasks, but will be only accessible at particular computing sites with potentially large latency. In contrast, the Analysis...

  2. Analysis of circumferential waves on a water-filled cylindrical shell

    Institute of Scientific and Technical Information of China (English)

    FAN Wei; ZHENG Guoyin; FAN Jun

    2012-01-01

    The formation of scattering field from a water-filled cylindrical shell was studied. The analytic solutions of scattering field are derived using elastic thin shell theory and Sommerfeld-Watson Transformation (SWT) method. Complex wave-number poles of circumferential waves are found numerically, the phase speed and attenuation of circumferential waves between the situation of a hollow cylindrical shell and a water-filled cylindrical shell are compared. The synthesis of backscattering form functions which are sum of specular reflection component and circumferential waves is consistent with normal mode result. The calculated echo sequences of additional fluid circumferential waves are compared with experimental results. The results show that richer resonance peaks appeared in the backscattering form functions of a water-filled cylindrical shell and the formation of echo's structure are due to re-radiation effects of additional fluid circumferential waves.

  3. Weakly Nonlinear Stability Analysis of a Thin Magnetic Fluid during Spin Coating

    Directory of Open Access Journals (Sweden)

    Cha'o-Kuang Chen

    2010-01-01

    Full Text Available This paper investigates the stability of a thin electrically conductive fluid under an applied uniform magnetic filed during spin coating. A generalized nonlinear kinematic model is derived by the long-wave perturbation method to represent the physical system. After linearizing the nonlinear evolution equation, the method of normal mode is applied to study the linear stability. Weakly nonlinear dynamics of film flow is studied by the multiple scales method. The Ginzburg-Landau equation is determined to discuss the necessary conditions of the various critical flow states, namely, subcritical stability, subcritical instability, supercritical stability, and supercritical explosion. The study reveals that the rotation number and the radius of the rotating circular disk generate similar destabilizing effects but the Hartmann number gives a stabilizing effect. Moreover, the optimum conditions can be found to alter stability of the film flow by controlling the applied magnetic field.

  4. Fundamentals of functional analysis

    CERN Document Server

    Farenick, Douglas

    2016-01-01

    This book provides a unique path for graduate or advanced undergraduate students to begin studying the rich subject of functional analysis with fewer prerequisites than is normally required. The text begins with a self-contained and highly efficient introduction to topology and measure theory, which focuses on the essential notions required for the study of functional analysis, and which are often buried within full-length overviews of the subjects. This is particularly useful for those in applied mathematics, engineering, or physics who need to have a firm grasp of functional analysis, but not necessarily some of the more abstruse aspects of topology and measure theory normally encountered. The reader is assumed to only have knowledge of basic real analysis, complex analysis, and algebra. The latter part of the text provides an outstanding treatment of Banach space theory and operator theory, covering topics not usually found together in other books on functional analysis. Written in a clear, concise manner,...

  5. Computational Music Analysis

    DEFF Research Database (Denmark)

    This book provides an in-depth introduction and overview of current research in computational music analysis. Its seventeen chapters, written by leading researchers, collectively represent the diversity as well as the technical and philosophical sophistication of the work being done today...... on well-established theories in music theory and analysis, such as Forte's pitch-class set theory, Schenkerian analysis, the methods of semiotic analysis developed by Ruwet and Nattiez, and Lerdahl and Jackendoff's Generative Theory of Tonal Music. The book is divided into six parts, covering...... music analysis, the book provides an invaluable resource for researchers, teachers and students in music theory and analysis, computer science, music information retrieval and related disciplines. It also provides a state-of-the-art reference for practitioners in the music technology industry....

  6. Monju plant dynamics analysis

    International Nuclear Information System (INIS)

    The heat transport systems of MONJU are three main heat transport loops, each loop consist of the primary, the secondary loop and the water-steam system, in addition, the auxiliary cooling system. These systems are under the influence one another on plant transient. So it is important to evaluate the flow and heat characteristics of the heat transport systems on calculating plant transient. We made the plant dynamic analysis codes of MONJU to calculate the plant transient analysis and evaluate the plant characteristics by the disturbance on the on-power operation and the performance of the plant control systems. In this paper, one of the main plant dynamic simulation code of MONJU, the calculation conditions on analysis, the plant safety analysis, the plant stability analysis and the plant thermal transient analysis are discribed. (author)

  7. 3RDWHALE STRATEGIC ANALYSIS

    OpenAIRE

    Johnson, Andrew

    2009-01-01

    This essay provides a detailed strategic analysis of 3rdWhale, a Vancouver-based start-up in the sustainability sector, along with an analysis of the smartphone applications industry. Porter?s five forces model is used to perform an industry analysis of the smartphone application industry and identify key success factors for application developers. Using the identified factors, 3rdWhale is compared to its indirect competitors to identify opportunities and threats and produce a range of strate...

  8. Marketing Mix Analysis

    OpenAIRE

    Procházková, Gabriela

    2014-01-01

    The Bachelor thesis focuses on the analysis of the marketing mix which was applied to a company called Bill Ltd. The theoretical part focuses on the general description of the marketing mix and its individual elements. In the practical part is mentioned the history and present of the company Billa Ltd. It also includes a specific analysis of individual elements of the marketing mix of the company Bill Ltd. and analysis of the results of the electronic questioning, that focuses on br...

  9. Stochastic Analysis 2010

    CERN Document Server

    Crisan, Dan

    2011-01-01

    "Stochastic Analysis" aims to provide mathematical tools to describe and model high dimensional random systems. Such tools arise in the study of Stochastic Differential Equations and Stochastic Partial Differential Equations, Infinite Dimensional Stochastic Geometry, Random Media and Interacting Particle Systems, Super-processes, Stochastic Filtering, Mathematical Finance, etc. Stochastic Analysis has emerged as a core area of late 20th century Mathematics and is currently undergoing a rapid scientific development. The special volume "Stochastic Analysis 2010" provides a sa

  10. Mastering Clojure data analysis

    CERN Document Server

    Rochester, Eric

    2014-01-01

    This book consists of a practical, example-oriented approach that aims to help you learn how to use Clojure for data analysis quickly and efficiently.This book is great for those who have experience with Clojure and who need to use it to perform data analysis. This book will also be hugely beneficial for readers with basic experience in data analysis and statistics.

  11. LULU analysis program

    International Nuclear Information System (INIS)

    Our analysis program LULU has proven very useful in all stages of experiment analysis, from prerun detector debugging through final data reduction. It has solved our problem of having arbitrary word length events and is easy enough to use that many separate experimenters are now analyzing with LULU. The ability to use the same software for all stages of experiment analysis greatly eases the programming burden. We may even get around to making the graphics elegant someday

  12. Grammar flow analysis

    OpenAIRE

    Möncke, Ulrich R.

    1986-01-01

    This paper specifies the theoretical basis for the implementation of different generators of the OPTRAN system. Grammar Flow analysis transports the techniques of data flow analysis to the meta level of compiler construction. The analogon to the states in data flow analysis are the syntax trees together with some information, which is associated with trees by propagation functions. One example is the association of characteristic graphs, another example the association of sets of matching tre...

  13. Deep Survival Analysis

    OpenAIRE

    Ranganath, Rajesh; Perotte, Adler; Elhadad, Noémie; Blei, David

    2016-01-01

    The electronic health record (EHR) provides an unprecedented opportunity to build actionable tools to support physicians at the point of care. In this paper, we investigate survival analysis in the context of EHR data. We introduce deep survival analysis, a hierarchical generative approach to survival analysis. It departs from previous approaches in two primary ways: (1) all observations, including covariates, are modeled jointly conditioned on a rich latent structure; and (2) the observation...

  14. Atomic torsional modal analysis for high-resolution proteins

    Science.gov (United States)

    Tirion, Monique M.; ben-Avraham, Daniel

    2015-03-01

    We introduce a formulation for normal mode analyses of globular proteins that significantly improves on an earlier one-parameter formulation [M. M. Tirion, Phys. Rev. Lett. 77, 1905 (1996), 10.1103/PhysRevLett.77.1905] that characterized the slow modes associated with protein data bank structures. Here we develop that empirical potential function that is minimized at the outset to include two features essential to reproduce the eigenspectra and associated density of states in the 0 to 300 cm-1 frequency range, not merely the slow modes. First, introduction of preferred dihedral-angle configurations via use of torsional stiffness constants eliminates anomalous dispersion characteristics due to insufficiently bound surface side chains and helps fix the spectrum thin tail frequencies (100-300 cm-1 ). Second, we take into account the atomic identities and the distance of separation of all pairwise interactions, improving the spectrum distribution in the 20 to 300 cm-1 range. With these modifications, not only does the spectrum reproduce that of full atomic potentials, but we obtain stable reliable eigenmodes for the slow modes and over a wide range of frequencies.

  15. A study on the effect of using a flattening filter in a medical linear accelerator on the dose distribution

    Science.gov (United States)

    Kim, Young-Jae; Dong, Kyung-Rae; Chung, Woon-Kwan; Lim, Chang-Seon; Jeong, Cheon-Soo; Seo, Yoon-Jeong

    2014-03-01

    This study compared the dependence of the tissue maximum ratio (TMR) and the beam profile on the use of a flattening filter when a linear accelerator is used for radiation exposure of a small field size. To examine change according to the field size, we limit the collimator size to 1, 2 and 3 cm. A water phantom and an ion chamber are used to measure each TMR while a diode is used to obtain the beam profile. The TMR is approximately 4% higher at a depth of 10 cm in the normal mode than it is in the stereotactic radiosurgery (SRS) mode and approximately 8% higher at a depth of 20 cm in the normal mode than it is in the SRS mode. According to the measurement results for the beam profile, the dose decreases slightly faster in the SRS mode than in the normal mode. On the other hand, the two modes do not show any significant difference because similar shapes are observed in the two modes. According to the analysis results for the TMR and the beam profile for a small field size, there are almost no differences between the normal mode and the SRS mode. Therefore, the SRS mode can be used to increase the dose rate in radiation treatments that use a small field size and to reduce the time for treatment.

  16. 动态子结构法在地铁列车引起地基振动分析中的应用%Application of dynamic sub-structuring method in the analysis of foundation vibration caused by metro train

    Institute of Scientific and Technical Information of China (English)

    冯青松; 张翊翔; 万鹏; 雷晓燕

    2014-01-01

    A dynamic model for the tunnel-ground coupling system was established,using the fixed-interface component mode synthesis combining with the dynamic substructure method in the ANSYS software,to analyze the dynamic responses of the tunnel and the ground surface due to the metro train load.The accuracy of the dy-namic substructure method was validated by comparing with the whole finite element model.The relationship be-tween the number of the normal mode truncation and the analysis frequency in the fixed -interface component mode synthesis was discussed.In addition,the issue of the artificial boundary application was explored in the ground sub-structuring model.The computational results prove that the fixed-interface component mode syn-thesis can significantly reduce the computational efforts,shorten the calculation time,reduce the storage space, and hence can be used to analyze the subway environment vibration.%运用动态子结构固定界面模态综合法在ANSYS有限元分析软件中建立隧道地基耦合动力学模型,分析地铁列车荷载作用下隧道和地基表面的动力响应;通过与有限元整体建模分析法进行比较,验证动态子结构法的准确度。探讨固定界面模态综合法中主模态截断数与分析频率之间的关系,并讨论地基子结构模型中人工边界的施加问题。计算表明:固定界面模态综合法能够明显地减少建模及计算工作量,缩短计算时间,减少存储空间,且具有较高的精度,可在地铁环境振动分析中推广使用。

  17. Sparse discriminant analysis

    DEFF Research Database (Denmark)

    Clemmensen, Line Katrine Harder; Hastie, Trevor; Witten, Daniela;

    2011-01-01

    commonplace in biological and medical applications. In this setting, a traditional approach involves performing feature selection before classification. We propose sparse discriminant analysis, a method for performing linear discriminant analysis with a sparseness criterion imposed such that classification...... and feature selection are performed simultaneously. Sparse discriminant analysis is based on the optimal scoring interpretation of linear discriminant analysis, and can be extended to perform sparse discrimination via mixtures of Gaussians if boundaries between classes are nonlinear or if subgroups...... are present within each class. Our proposal also provides low-dimensional views of the discriminative directions. © 2011 American Statistical Association and the American Society for Qualitys....

  18. Chemical Security Analysis Center

    Data.gov (United States)

    Federal Laboratory Consortium — In 2006, by Presidential Directive, DHS established the Chemical Security Analysis Center (CSAC) to identify and assess chemical threats and vulnerabilities in the...

  19. Textile Technology Analysis Lab

    Data.gov (United States)

    Federal Laboratory Consortium — The Textile Analysis Labis built for evaluating and characterizing the physical properties of an array of textile materials, but specifically those used in aircrew...

  20. Circuit analysis with Multisim

    CERN Document Server

    Baez-Lopez, David

    2011-01-01

    This book is concerned with circuit simulation using National Instruments Multisim. It focuses on the use and comprehension of the working techniques for electrical and electronic circuit simulation. The first chapters are devoted to basic circuit analysis.It starts by describing in detail how to perform a DC analysis using only resistors and independent and controlled sources. Then, it introduces capacitors and inductors to make a transient analysis. In the case of transient analysis, it is possible to have an initial condition either in the capacitor voltage or in the inductor current, or bo

  1. Chemical Analysis Facility

    Data.gov (United States)

    Federal Laboratory Consortium — FUNCTION: Uses state-of-the-art instrumentation for qualitative and quantitative analysis of organic and inorganic compounds, and biomolecules from gas, liquid, and...

  2. Risk analysis methodology survey

    Science.gov (United States)

    Batson, Robert G.

    1987-01-01

    NASA regulations require that formal risk analysis be performed on a program at each of several milestones as it moves toward full-scale development. Program risk analysis is discussed as a systems analysis approach, an iterative process (identification, assessment, management), and a collection of techniques. These techniques, which range from simple to complex network-based simulation were surveyed. A Program Risk Analysis Handbook was prepared in order to provide both analyst and manager with a guide for selection of the most appropriate technique.

  3. Finite element analysis

    CERN Document Server

    2010-01-01

    Finite element analysis is an engineering method for the numerical analysis of complex structures. This book provides a bird's eye view on this very broad matter through 27 original and innovative research studies exhibiting various investigation directions. Through its chapters the reader will have access to works related to Biomedical Engineering, Materials Engineering, Process Analysis and Civil Engineering. The text is addressed not only to researchers, but also to professional engineers, engineering lecturers and students seeking to gain a better understanding of where Finite Element Analysis stands today.

  4. Sensitivity and uncertainty analysis

    CERN Document Server

    Cacuci, Dan G; Navon, Ionel Michael

    2005-01-01

    As computer-assisted modeling and analysis of physical processes have continued to grow and diversify, sensitivity and uncertainty analyses have become indispensable scientific tools. Sensitivity and Uncertainty Analysis. Volume I: Theory focused on the mathematical underpinnings of two important methods for such analyses: the Adjoint Sensitivity Analysis Procedure and the Global Adjoint Sensitivity Analysis Procedure. This volume concentrates on the practical aspects of performing these analyses for large-scale systems. The applications addressed include two-phase flow problems, a radiative c

  5. Space Weather Analysis

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Space Weather Analysis archives are model output of ionospheric, thermospheric and magnetospheric particle populations, energies and electrodynamics

  6. International Market Analysis

    DEFF Research Database (Denmark)

    Sørensen, Olav Jull

    2009-01-01

    The review presents the book International Market Analysis: Theories and Methods, written by John Kuiada, professor at Centre of International Business, Department of Business Studies, Aalborg University. The book is refreshingly new in its way of looking at a classical problem. It looks at market...... analysis from the point of vie of ways of thinking about markets. Furthermore, the book includes the concept of learning in the analysis of markets og how the way we understand business reality influneces our choice of methodology for market analysis....

  7. Hazard Analysis Database Report

    Energy Technology Data Exchange (ETDEWEB)

    GRAMS, W.H.

    2000-12-28

    The Hazard Analysis Database was developed in conjunction with the hazard analysis activities conducted in accordance with DOE-STD-3009-94, Preparation Guide for U S . Department of Energy Nonreactor Nuclear Facility Safety Analysis Reports, for HNF-SD-WM-SAR-067, Tank Farms Final Safety Analysis Report (FSAR). The FSAR is part of the approved Authorization Basis (AB) for the River Protection Project (RPP). This document describes, identifies, and defines the contents and structure of the Tank Farms FSAR Hazard Analysis Database and documents the configuration control changes made to the database. The Hazard Analysis Database contains the collection of information generated during the initial hazard evaluations and the subsequent hazard and accident analysis activities. The Hazard Analysis Database supports the preparation of Chapters 3 ,4 , and 5 of the Tank Farms FSAR and the Unreviewed Safety Question (USQ) process and consists of two major, interrelated data sets: (1) Hazard Analysis Database: Data from the results of the hazard evaluations, and (2) Hazard Topography Database: Data from the system familiarization and hazard identification.

  8. Power system analysis

    CERN Document Server

    Murty, PSR

    2007-01-01

    Power system analysis is a pre-requisite course for electrical engineering students. This book introduces concepts of a power system, network model faults and analysis and the primitive network stability. It also deals with graph theory relevant to various incidence matrices, building of network matrices and power flow studies. It further discusses with short circuit analysis, unbalanced fault analysis and power system stability problems, such as, steady state stability, transient stability and dynamic stability. Salient Features: Number of worked examples are followed after explaining theory

  9. HIRENASD analysis Information Package

    Data.gov (United States)

    National Aeronautics and Space Administration — Updated November 2, 2011 Contains summary information and analysis condition details for the Aeroelastic Prediction Workshop Information plotted in this package is...

  10. Thermogravimetric Analysis Laboratory

    Data.gov (United States)

    Federal Laboratory Consortium — At NETL’s Thermogravimetric Analysis Laboratory in Morgantown, WV, researchers study how chemical looping combustion (CLC) can be applied to fossil energy systems....

  11. Risk Analysis of Marine Structures

    DEFF Research Database (Denmark)

    Hansen, Peter Friis

    1998-01-01

    Basic concepts of risk analysis is introduced. Formulation and analysis of fault and event trees are treated.......Basic concepts of risk analysis is introduced. Formulation and analysis of fault and event trees are treated....

  12. Application of SWOT analysis.

    Science.gov (United States)

    Casebeer, A

    SWOT analysis is an effective and simple planning technique which addresses one aspect of many strategic planning processes. Given the complex nature of modern health care systems, the ability to use this type of technique can enable health professionals to participate more fully in the analysis and implementation of health care improvement.

  13. Advanced Analysis Environments - Summary

    International Nuclear Information System (INIS)

    This is a summary of the panel discussion on Advanced Analysis Environments. Rene Brun, Tony Johnson, and Lassi Tuura shared their insights about the trends and challenges in analysis environments. This paper contains the initial questions, a summary of the speakers' presentation, and the questions asked by the audience

  14. Structural analysis for Diagnosis

    DEFF Research Database (Denmark)

    Izadi-Zamanabadi, Roozbeh; Blanke, M.

    2001-01-01

    Aiming at design of algorithms for fault diagnosis, structural analysis of systems offers concise yet easy overall analysis. Graph-based matching, which is the essential technique to obtain redundant information for diagnosis, is re-considered in this paper. Matching is re-formulated as a problem...

  15. Laboratory analysis of stardust.

    Science.gov (United States)

    Zinner, Ernst

    2013-02-01

    Tiny dust grains extracted from primitive meteorites are identified to have originated in the atmospheres of stars on the basis of their anomalous isotopic compositions. Although isotopic analysis with the ion microprobe plays a major role in the laboratory analysis of these stardust grains, many other microanalytical techniques are applied to extract the maximum amount of information.

  16. Economic Analysis of Law

    OpenAIRE

    Louis Kaplow; Steven Shavell

    1999-01-01

    This entry for the forthcoming The New Palgrave Dictionary of Economics (Second Edition) surveys the economic analysis of five primary fields of law: property law; liability for accidents; contract law; litigation; and public enforcement and criminal law. It also briefly considers some criticisms of the economic analysis of law.

  17. FOOD RISK ANALYSIS

    Science.gov (United States)

    Food risk analysis is a holistic approach to food safety because it considers all aspects of the problem. Risk assessment modeling is the foundation of food risk analysis. Proper design and simulation of the risk assessment model is important to properly predict and control risk. Because of knowl...

  18. Proximate Analysis of Coal

    Science.gov (United States)

    Donahue, Craig J.; Rais, Elizabeth A.

    2009-01-01

    This lab experiment illustrates the use of thermogravimetric analysis (TGA) to perform proximate analysis on a series of coal samples of different rank. Peat and coke are also examined. A total of four exercises are described. These are dry exercises as students interpret previously recorded scans. The weight percent moisture, volatile matter,…

  19. Static Analysis of IMC

    DEFF Research Database (Denmark)

    Skrypnyuk, Nataliya; Nielson, Flemming; Pilegaard, Henrik

    2012-01-01

    -type synchronisation – in particular, on our variant of IMC with a more permissive syntax, i.e. with a possibility to start a bounded number of new processes. We prove that the defined Pathway Analysis captures all the properties of the systems, i.e. is precise. The results of the Pathway Analysis can be therefore...

  20. NOTATIONAL ANALYSIS OF SPORT

    Directory of Open Access Journals (Sweden)

    Ian M. Franks

    2004-06-01

    Full Text Available This book addresses and appropriately explains the notational analysis of technique, tactics, individual athlete/team exercise and work-rate in sport. The book offers guidance in: developing a system, analyzes of data, effective coaching using notational performance analysis and modeling sport behaviors. It updates and improves the 1997 edition

  1. Northern blotting analysis

    DEFF Research Database (Denmark)

    Josefsen, Knud; Nielsen, Henrik

    2011-01-01

    Northern blotting analysis is a classical method for analysis of the size and steady-state level of a specific RNA in a complex sample. In short, the RNA is size-fractionated by gel electrophoresis and transferred by blotting onto a membrane to which the RNA is covalently bound. Then, the membran...

  2. Educational Cost Analysis.

    Science.gov (United States)

    Flynn, Donald L.

    Traditional approaches to the cost analysis of educational programs involve examining annual budgets. Such approaches do not properly consider the cost of either new capital expenditures or the current value of previously purchased items. This paper presents the methodology for a new approach to educational cost analysis that identifies the actual…

  3. Analysis of Design Documentation

    DEFF Research Database (Denmark)

    Hansen, Claus Thorp

    1998-01-01

    has been established where we seek to identify useful design work patterns by retrospective analyses of documentation created during design projects. This paper describes the analysis method, a tentatively defined metric to evaluate identified work patterns, and presents results from the first...... analysis accomplished....

  4. Electric field analysis

    CERN Document Server

    Chakravorti, Sivaji

    2015-01-01

    This book prepares newcomers to dive into the realm of electric field analysis. The book details why one should perform electric field analysis and what are its practical implications. It emphasizes both the fundamentals and modern computational methods of electric machines. The book covers practical applications of the numerical methods in high voltage equipment, including transmission lines, power transformers, cables, and gas insulated systems.

  5. Spool assembly support analysis

    International Nuclear Information System (INIS)

    This document provides the wind/seismic analysis and evaluation for the pump pit spool assemblies. Hand calculations were used for the analysis. UBC, AISC, and load factors were used in this evaluation. The results show that the actual loads are under the allowable loads and all requirements are met

  6. Analysis of Industrial Wastewaters.

    Science.gov (United States)

    Mancy, K. H.; Weber, W. J., Jr.

    A comprehensive, documented discussion of certain operating principles useful as guidelines for the analysis of industrial wastewaters is presented. Intended primarily for the chemist, engineer, or other professional person concerned with all aspects of industrial wastewater analysis, it is not to be considered as a substitute for standard manuals…

  7. Analysis in usability evaluations

    DEFF Research Database (Denmark)

    Følstad, Asbjørn; Lai-Chong Law, Effie; Hornbæk, Kasper Anders Søren

    2010-01-01

    While the planning and implementation of usability evaluations are well described in the literature, the analysis of the evaluation data is not. We present interviews with 11 usability professionals on how they conduct analysis, describing the resources, collaboration, creation of recommendations...

  8. Dynamic Drawing Analysis

    OpenAIRE

    Liberdová, I.

    2015-01-01

    This article is focused on the dynamic drawing analysis. It deals with temporal segmentation methods for hand-drawn pictures. The automatic vectorization of segmentation results is considered as well. Dynamic drawing analysis may significantly improves tracing drawing test utilization in the clinical physiology trials.

  9. Application of SWOT analysis.

    Science.gov (United States)

    Casebeer, A

    SWOT analysis is an effective and simple planning technique which addresses one aspect of many strategic planning processes. Given the complex nature of modern health care systems, the ability to use this type of technique can enable health professionals to participate more fully in the analysis and implementation of health care improvement. PMID:8472105

  10. Time series analysis.

    NARCIS (Netherlands)

    2013-01-01

    Time series analysis can be used to quantitatively monitor, describe, explain, and predict road safety developments. Time series analysis techniques offer the possibility of quantitatively modelling road safety developments in such a way that the dependencies between the observations of time series

  11. Zen and Behavior Analysis

    Science.gov (United States)

    Bass, Roger

    2010-01-01

    Zen's challenge for behavior analysis is to explain a repertoire that renders analysis itself meaningless--a result following not from scientific or philosophical arguments but rather from a unique verbal history generated by Zen's methods. Untying Zen's verbal knots suggests how meditation's and koans' effects on verbal behavior contribute to…

  12. Northern blotting analysis

    DEFF Research Database (Denmark)

    Josefsen, Knud; Nielsen, Henrik

    2011-01-01

    Northern blotting analysis is a classical method for analysis of the size and steady-state level of a specific RNA in a complex sample. In short, the RNA is size-fractionated by gel electrophoresis and transferred by blotting onto a membrane to which the RNA is covalently bound. Then, the membrane...... closing the gap to the more laborious nuclease protection experiments....

  13. Per Object statistical analysis

    DEFF Research Database (Denmark)

    Groom, Geoffrey Brian

    2008-01-01

    This RS code is to do Object-by-Object analysis of each Object's sub-objects, e.g. statistical analysis of an object's individual image data pixels. Statistics, such as percentiles (so-called "quartiles") are derived by the process, but the return of that can only be a Scene Variable, not an Obje...

  14. Numerical Limit Analysis:

    DEFF Research Database (Denmark)

    Damkilde, Lars

    2007-01-01

    Limit State analysis has a long history and many prominent researchers have contributed. The theoretical foundation is based on the upper- and lower-bound theorems which give a very comprehensive and elegant formulation on complicated physical problems. In the pre-computer age Limit State analysi...

  15. Gait analysis: clinical facts.

    Science.gov (United States)

    Baker, Richard; Esquenazi, Alberto; Benedetti, Maria G; Desloovere, Kaat

    2016-08-01

    Gait analysis is a well-established tool for the quantitative assessment of gait disturbances providing functional diagnosis, assessment for treatment planning, and monitoring of disease progress. There is a large volume of literature on the research use of gait analysis, but evidence on its clinical routine use supports a favorable cost-benefit ratio in a limited number of conditions. Initially gait analysis was introduced to clinical practice to improve the management of children with cerebral palsy. However, there is good evidence to extend its use to patients with various upper motor neuron diseases, and to lower limb amputation. Thereby, the methodology for properly conducting and interpreting the exam is of paramount relevance. Appropriateness of gait analysis prescription and reliability of data obtained are required in the clinical environment. This paper provides an overview on guidelines for managing a clinical gait analysis service and on the principal clinical domains of its application: cerebral palsy, stroke, traumatic brain injury and lower limb amputation.

  16. K Basin safety analysis

    International Nuclear Information System (INIS)

    The purpose of this accident safety analysis is to document in detail, analyses whose results were reported in summary form in the K Basins Safety Analysis Report WHC-SD-SNF-SAR-001. The safety analysis addressed the potential for release of radioactive and non-radioactive hazardous material located in the K Basins and their supporting facilities. The safety analysis covers the hazards associated with normal K Basin fuel storage and handling operations, fuel encapsulation, sludge encapsulation, and canister clean-up and disposal. After a review of the Criticality Safety Evaluation of the K Basin activities, the following postulated events were evaluated: Crane failure and casks dropped into loadout pit; Design basis earthquake; Hypothetical loss of basin water accident analysis; Combustion of uranium fuel following dryout; Crane failure and cask dropped onto floor of transfer area; Spent ion exchange shipment for burial; Hydrogen deflagration in ion exchange modules and filters; Release of Chlorine; Power availability and reliability; and Ashfall

  17. K Basin safety analysis

    Energy Technology Data Exchange (ETDEWEB)

    Porten, D.R.; Crowe, R.D.

    1994-12-16

    The purpose of this accident safety analysis is to document in detail, analyses whose results were reported in summary form in the K Basins Safety Analysis Report WHC-SD-SNF-SAR-001. The safety analysis addressed the potential for release of radioactive and non-radioactive hazardous material located in the K Basins and their supporting facilities. The safety analysis covers the hazards associated with normal K Basin fuel storage and handling operations, fuel encapsulation, sludge encapsulation, and canister clean-up and disposal. After a review of the Criticality Safety Evaluation of the K Basin activities, the following postulated events were evaluated: Crane failure and casks dropped into loadout pit; Design basis earthquake; Hypothetical loss of basin water accident analysis; Combustion of uranium fuel following dryout; Crane failure and cask dropped onto floor of transfer area; Spent ion exchange shipment for burial; Hydrogen deflagration in ion exchange modules and filters; Release of Chlorine; Power availability and reliability; and Ashfall.

  18. Robust Sparse Analysis Regularization

    CERN Document Server

    Vaiter, Samuel; Dossal, Charles; Fadili, Jalal

    2011-01-01

    This paper studies the properties of L1-analysis regularization for the resolution of linear inverse problems. Most previous works consider sparse synthesis priors where the sparsity is measured as the L1 norm of the coefficients that synthesize the signal in a given dictionary. In contrast, the more general analysis regularization minimizes the L1 norm of the correlations between the signal and the atoms in the dictionary. The corresponding variational problem includes several well-known regularizations such as the discrete total variation and the fused lasso. We first prove that a solution of analysis regularization is a piecewise affine function of the observations. Similarly, it is a piecewise affine function of the regularization parameter. This allows us to compute the degrees of freedom associated to sparse analysis estimators. Another contribution gives a sufficient condition to ensure that a signal is the unique solution of the analysis regularization when there is no noise in the observations. The s...

  19. Systems engineering and analysis

    CERN Document Server

    Blanchard, Benjamin S

    2010-01-01

    For senior-level undergraduate and first and second year graduate systems engineering and related courses. A total life-cycle approach to systems and their analysis. This practical introduction to systems engineering and analysis provides the concepts, methodologies, models, and tools needed to understand and implement a total life-cycle approach to systems and their analysis. The authors focus first on the process of bringing systems into being--beginning with the identification of a need and extending that need through requirements determination, functional analysis and allocation, design synthesis, evaluation, and validation, operation and support, phase-out, and disposal. Next, the authors discuss the improvement of systems currently in being, showing that by employing the iterative process of analysis, evaluation, feedback, and modification, most systems in existence can be improved in their affordability, effectiveness, and stakeholder satisfaction.

  20. Functional data analysis

    CERN Document Server

    Ramsay, J O

    1997-01-01

    Scientists today collect samples of curves and other functional observations. This monograph presents many ideas and techniques for such data. Included are expressions in the functional domain of such classics as linear regression, principal components analysis, linear modelling, and canonical correlation analysis, as well as specifically functional techniques such as curve registration and principal differential analysis. Data arising in real applications are used throughout for both motivation and illustration, showing how functional approaches allow us to see new things, especially by exploiting the smoothness of the processes generating the data. The data sets exemplify the wide scope of functional data analysis; they are drwan from growth analysis, meterology, biomechanics, equine science, economics, and medicine. The book presents novel statistical technology while keeping the mathematical level widely accessible. It is designed to appeal to students, to applied data analysts, and to experienced researc...

  1. Statistical Analysis of Thermal Analysis Margin

    Science.gov (United States)

    Garrison, Matthew B.

    2011-01-01

    NASA Goddard Space Flight Center requires that each project demonstrate a minimum of 5 C margin between temperature predictions and hot and cold flight operational limits. The bounding temperature predictions include worst-case environment and thermal optical properties. The purpose of this work is to: assess how current missions are performing against their pre-launch bounding temperature predictions and suggest any possible changes to the thermal analysis margin rules

  2. Meaning from curriculum analysis

    Science.gov (United States)

    Finegold, Menahem; Mackeracher, Dorothy

    This paper reports on the analysis of science curricula carried out across Canada within the framework of the Second International Science Study (SISS). The organization of Canadian education in twelve autonomous educational jurisdictions is briefly described and problems are noted in relation to the analysis of curricula on a national scale. The international design for curriculum analysis is discussed and an alternative design, more suited to the diversity of science education in Canada, is introduced. The analysis of curriculum documents is described and three patterns which emerge from this analysis are identified. These derive from the concepts of commonality, specificity and prescriptiveness. Commonality relates to topics listed in curriculum guideline documents by a number of jurisdictions. Specificity refers to the richness of curriculum documents. Prescriptiveness is a measure of the extent to which jurisdictions do or do not make provision for local options in curriculum design. The Canadian analysis, using the concepts of the common curriculum, specificity and prescriptiveness, is described and research procedures are exemplified. Outcomes of curriculum analysis are presented in graphical form.

  3. From analysis to surface

    DEFF Research Database (Denmark)

    Bemman, Brian; Meredith, David

    In recent years, a significant body of research has focused on developing algorithms for computing analyses of mu- sical works automatically from encodings of these works' surfaces [3,4,7,10,11]. The quality of the output of such analysis algorithms is typically evaluated by comparing it with a “......In recent years, a significant body of research has focused on developing algorithms for computing analyses of mu- sical works automatically from encodings of these works' surfaces [3,4,7,10,11]. The quality of the output of such analysis algorithms is typically evaluated by comparing...... it with a “ground truth” analysis of the same music pro- duced by a human expert (see, in particular, [5]). In this paper, we explore the problem of generating an encoding of the musical surface of a work automatically from a systematic encoding of an analysis. The ability to do this depends on one having...... an effective (i.e., comput- able), correct and complete description of some aspect of the structure of the music. Generating the surface struc- ture of a piece from an analysis in this manner serves as a proof of the analysis' correctness, effectiveness and com- pleteness. We present a reductive analysis...

  4. Strategic analysis of the company

    OpenAIRE

    Matoušková, Irena

    2012-01-01

    Strategic analysis of the company In my thesis I developed a strategic analysis of the company Pacovské strojírny a.s. I describe the various methods of internal and external strategic analysis in the theoretical part. I followed the methods used in the practical part. In an internal strategic analysis, I focused on the identification of internal resources and capabilities, the financial analysis and the chain of creating value. External strategic analysis includes PEST analysis, Porter's fiv...

  5. Functional Object Analysis

    DEFF Research Database (Denmark)

    Raket, Lars Lau

    We propose a direction it the field of statistics which we will call functional object analysis. This subfields considers the analysis of functional objects defined on continuous domains. In this setting we will focus on model-based statistics, with a particularly emphasis on mixed......-effect formulations, where the observed functional signal is assumed to consist of both fixed and random functional effects. This thesis takes the initial steps toward the development of likelihood-based methodology for functional objects. We first consider analysis of functional data defined on high...

  6. NASA Enterprise Visual Analysis

    Science.gov (United States)

    Lopez-Tellado, Maria; DiSanto, Brenda; Humeniuk, Robert; Bard, Richard, Jr.; Little, Mia; Edwards, Robert; Ma, Tien-Chi; Hollifield, Kenneith; White, Chuck

    2007-01-01

    NASA Enterprise Visual Analysis (NEVA) is a computer program undergoing development as a successor to Launch Services Analysis Tool (LSAT), formerly known as Payload Carrier Analysis Tool (PCAT). NEVA facilitates analyses of proposed configurations of payloads and packing fixtures (e.g. pallets) in a space shuttle payload bay for transport to the International Space Station. NEVA reduces the need to use physical models, mockups, and full-scale ground support equipment in performing such analyses. Using NEVA, one can take account of such diverse considerations as those of weight distribution, geometry, collision avoidance, power requirements, thermal loads, and mechanical loads.

  7. Static analysis for blinding

    DEFF Research Database (Denmark)

    Nielsen, Christoffer Rosenkilde; Nielson, Hanne Riis

    2006-01-01

    operation blinding. In this paper we study the theoretical foundations for one of the successful approaches to validating cryptographic protocols and we extend it to handle the blinding primitive. Our static analysis approach is based on Flow Logic; this gives us a clean separation between the specification...... of the analysis and its realisation in an automatic tool. We concentrate on the former in the present paper and provide the semantic foundation for our analysis of protocols using blinding - also in the presence of malicious attackers....

  8. Observations on risk analysis

    International Nuclear Information System (INIS)

    This paper briefly describes WASH 1400 and the Lewis report. It attempts to define basic concepts such as risk and risk analysis, common mode failure, and rare event. Several probabilistic models which go beyond the WASH 1400 methodology are introduced; the common characteristic of these models is that they recognize explicitly that risk analysis is time dependent whereas WASH 1400 takes a per demand failure rate approach which obscures the important fact that accidents are time related. Further, the presentation of a realistic risk analysis should recognize that there are various risks which compete with one another for the lives of the individuals at risk. A way of doing this is suggested

  9. Basic stress analysis

    CERN Document Server

    Iremonger, M J

    1982-01-01

    BASIC Stress Analysis aims to help students to become proficient at BASIC programming by actually using it in an important engineering subject. It also enables the student to use computing as a means of learning stress analysis because writing a program is analogous to teaching-it is necessary to understand the subject matter. The book begins by introducing the BASIC approach and the concept of stress analysis at first- and second-year undergraduate level. Subsequent chapters contain a summary of relevant theory, worked examples containing computer programs, and a set of problems. Topics c

  10. Methods of Multivariate Analysis

    CERN Document Server

    Rencher, Alvin C

    2012-01-01

    Praise for the Second Edition "This book is a systematic, well-written, well-organized text on multivariate analysis packed with intuition and insight . . . There is much practical wisdom in this book that is hard to find elsewhere."-IIE Transactions Filled with new and timely content, Methods of Multivariate Analysis, Third Edition provides examples and exercises based on more than sixty real data sets from a wide variety of scientific fields. It takes a "methods" approach to the subject, placing an emphasis on how students and practitioners can employ multivariate analysis in real-life sit

  11. Finite Discrete Gabor Analysis

    DEFF Research Database (Denmark)

    Søndergaard, Peter Lempel

    2007-01-01

    Gabor analysis is a method for analyzing signals through the use of a set of basic building blocks. The building blocks consists of a certain function (the window) that is shifted in time and frequency. The Gabor expansion of a signal contains information on the behavior of the signal in certain...... discrete time/frequency and Gabor analysis. It is intended to be both an educational and a computational tool. The toolbox was developed as part of this Ph.D. project to provide a solid foundation for the field of computational Gabor analysis....

  12. Bayesian nonparametric data analysis

    CERN Document Server

    Müller, Peter; Jara, Alejandro; Hanson, Tim

    2015-01-01

    This book reviews nonparametric Bayesian methods and models that have proven useful in the context of data analysis. Rather than providing an encyclopedic review of probability models, the book’s structure follows a data analysis perspective. As such, the chapters are organized by traditional data analysis problems. In selecting specific nonparametric models, simpler and more traditional models are favored over specialized ones. The discussed methods are illustrated with a wealth of examples, including applications ranging from stylized examples to case studies from recent literature. The book also includes an extensive discussion of computational methods and details on their implementation. R code for many examples is included in on-line software pages.

  13. Android malware and analysis

    CERN Document Server

    Dunham, Ken

    2014-01-01

    The rapid growth and development of Android-based devices has resulted in a wealth of sensitive information on mobile devices that offer minimal malware protection. This has created an immediate demand for security professionals that understand how to best approach the subject of Android malware threats and analysis.In Android Malware and Analysis, Ken Dunham, renowned global malware expert and author, teams up with international experts to document the best tools and tactics available for analyzing Android malware. The book covers both methods of malware analysis: dynamic and static.This tact

  14. Flow Injection Analysis

    DEFF Research Database (Denmark)

    Hansen, Elo Harald

    2004-01-01

    This chapter provides an introduction to automated chemical analysis, which essentially can be divided into two groups: batch assays, where the solution is stationary while the container is moved through a number of stations where various unit operations performed; and continuous-flow procedures......, where the system is stationary while the solution moves through a set of conduits in which all required manipulations are performed. Emphasis is placed on flow injection analysis (FIA) and its further developments, that is, sequential injection analysis (SIA) and the Lab-on-Valve (LOV) approach. Since...

  15. Foundations of Risk Analysis

    CERN Document Server

    Aven, Terje

    2012-01-01

    Foundations of Risk Analysis presents the issues core to risk analysis - understanding what risk means, expressing risk, building risk models, addressing uncertainty, and applying probability models to real problems. The author provides the readers with the knowledge and basic thinking they require to successfully manage risk and uncertainty to support decision making. This updated edition reflects recent developments on risk and uncertainty concepts, representations and treatment. New material in Foundations of Risk Analysis includes:An up to date presentation of how to understand, define and

  16. Real analysis and probability

    CERN Document Server

    Ash, Robert B; Lukacs, E

    1972-01-01

    Real Analysis and Probability provides the background in real analysis needed for the study of probability. Topics covered range from measure and integration theory to functional analysis and basic concepts of probability. The interplay between measure theory and topology is also discussed, along with conditional probability and expectation, the central limit theorem, and strong laws of large numbers with respect to martingale theory.Comprised of eight chapters, this volume begins with an overview of the basic concepts of the theory of measure and integration, followed by a presentation of var

  17. Wood Products Analysis

    Science.gov (United States)

    1990-01-01

    Structural Reliability Consultants' computer program creates graphic plots showing the statistical parameters of glue laminated timbers, or 'glulam.' The company president, Dr. Joseph Murphy, read in NASA Tech Briefs about work related to analysis of Space Shuttle surface tile strength performed for Johnson Space Center by Rockwell International Corporation. Analysis led to a theory of 'consistent tolerance bounds' for statistical distributions, applicable in industrial testing where statistical analysis can influence product development and use. Dr. Murphy then obtained the Tech Support Package that covers the subject in greater detail. The TSP became the basis for Dr. Murphy's computer program PC-DATA, which he is marketing commercially.

  18. Pesticide Instrumental Analysis

    International Nuclear Information System (INIS)

    This workshop was the evaluation of the pesticides impact on the vegetable matrix with the purpose to determine the analysis by GC / M S. The working material were lettuce matrix, chard and a mix of green leaves and pesticides.

  19. Principles of Fourier analysis

    CERN Document Server

    Howell, Kenneth B

    2001-01-01

    Fourier analysis is one of the most useful and widely employed sets of tools for the engineer, the scientist, and the applied mathematician. As such, students and practitioners in these disciplines need a practical and mathematically solid introduction to its principles. They need straightforward verifications of its results and formulas, and they need clear indications of the limitations of those results and formulas.Principles of Fourier Analysis furnishes all this and more. It provides a comprehensive overview of the mathematical theory of Fourier analysis, including the development of Fourier series, "classical" Fourier transforms, generalized Fourier transforms and analysis, and the discrete theory. Much of the author''s development is strikingly different from typical presentations. His approach to defining the classical Fourier transform results in a much cleaner, more coherent theory that leads naturally to a starting point for the generalized theory. He also introduces a new generalized theory based ...

  20. Russian River Analysis

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — This document is an analysis and summary of progress toward achieving the interim management objectives for the Russian River during the 1979 season. Additionally,...

  1. Water Quality Analysis Simulation

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Water Quality analysis simulation Program, an enhancement of the original WASP. This model helps users interpret and predict water quality responses to natural...

  2. Building energy analysis tool

    Science.gov (United States)

    Brackney, Larry; Parker, Andrew; Long, Nicholas; Metzger, Ian; Dean, Jesse; Lisell, Lars

    2016-04-12

    A building energy analysis system includes a building component library configured to store a plurality of building components, a modeling tool configured to access the building component library and create a building model of a building under analysis using building spatial data and using selected building components of the plurality of building components stored in the building component library, a building analysis engine configured to operate the building model and generate a baseline energy model of the building under analysis and further configured to apply one or more energy conservation measures to the baseline energy model in order to generate one or more corresponding optimized energy models, and a recommendation tool configured to assess the one or more optimized energy models against the baseline energy model and generate recommendations for substitute building components or modifications.

  3. Canonical Information Analysis

    DEFF Research Database (Denmark)

    Vestergaard, Jacob Schack; Nielsen, Allan Aasbjerg

    2015-01-01

    Canonical correlation analysis is an established multivariate statistical method in which correlation between linear combinations of multivariate sets of variables is maximized. In canonical information analysis introduced here, linear correlation as a measure of association between variables...... is replaced by the information theoretical, entropy based measure mutual information, which is a much more general measure of association. We make canonical information analysis feasible for large sample problems, including for example multispectral images, due to the use of a fast kernel density estimator...... for entropy estimation. Canonical information analysis is applied successfully to (1) simple simulated data to illustrate the basic idea and evaluate performance, (2) fusion of weather radar and optical geostationary satellite data in a situation with heavy precipitation, and (3) change detection in optical...

  4. Energy Sector Market Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Arent, D.; Benioff, R.; Mosey, G.; Bird, L.; Brown, J.; Brown, E.; Vimmerstedt, L.; Aabakken, J.; Parks, K.; Lapsa, M.; Davis, S.; Olszewski, M.; Cox, D.; McElhaney, K.; Hadley, S.; Hostick, D.; Nicholls, A.; McDonald, S.; Holloman, B.

    2006-10-01

    This paper presents the results of energy market analysis sponsored by the Department of Energy's (DOE) Weatherization and International Program (WIP) within the Office of Energy Efficiency and Renewable Energy (EERE). The analysis was conducted by a team of DOE laboratory experts from the National Renewable Energy Laboratory (NREL), Oak Ridge National Laboratory (ORNL), and Pacific Northwest National Laboratory (PNNL), with additional input from Lawrence Berkeley National Laboratory (LBNL). The analysis was structured to identify those markets and niches where government can create the biggest impact by informing management decisions in the private and public sectors. The analysis identifies those markets and niches where opportunities exist for increasing energy efficiency and renewable energy use.

  5. Design and Analysis Facility

    Data.gov (United States)

    Federal Laboratory Consortium — Provides engineering design of aircraft components, subsystems and installations using Pro/E, Anvil 1000, CADKEY 97, AutoCAD 13. Engineering analysis tools include...

  6. Semen Analysis Test

    Science.gov (United States)

    ... may experience difficulties. Several factors can affect the sperm count or other semen analysis values, including use of alcohol, tobacco, ... the News Article Index About This Site Send Us Your Comments ...

  7. NOAA's Inundation Analysis Tool

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Coastal storms and other meteorological phenomenon can have a significant impact on how high water levels rise and how often. The inundation analysis program is...

  8. Coal - proximate analysis

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-06-14

    This Standard establishes a practice for the proximate analysis of coal, that is, the coal is analysed for the content of moisture, ash and volatile matter; fixed carbon is calculated. The standard provides a basis for the comparison of coals.

  9. Particle Size Analysis.

    Science.gov (United States)

    Barth, Howard G.; Sun, Shao-Tang

    1989-01-01

    Presents a review of research focusing on scattering, elution techniques, electrozone sensing, filtration, centrifugation, comparison of techniques, data analysis, and particle size standards. The review covers the period 1986-1988. (MVL)

  10. Amino acid analysis.

    Science.gov (United States)

    Crabb, J W; West, K A; Dodson, W S; Hulmes, J D

    2001-05-01

    Amino acid analysis (AAA) is one of the best methods to quantify peptides and proteins. Two general approaches to quantitative AAA exist, namely, classical postcolumn derivatization following ion-exchange chromatography and precolumn derivatization followed by reversed-phase HPLC (RP-HPLC). Excellent instrumentation and several specific methodologies are available for both approaches, and both have advantages and disadvantages. This unit focuses on picomole-level AAA of peptides and proteins using the most popular precolumn-derivatization method, namely, phenylthiocarbamyl amino acid analysis (PTC-AAA). It is directed primarily toward those interested in establishing the technology with a modest budget. PTC derivatization and analysis conditions are described, and support and alternate protocols describe additional techniques necessary or useful for most any AAA method--e.g., sample preparation, hydrolysis, instrument calibration, data interpretation, and analysis of difficult or unusual residues such as cysteine, tryptophan, phosphoamino acids, and hydroxyproline. PMID:18429107

  11. Longitudinal categorical data analysis

    CERN Document Server

    Sutradhar, Brajendra C

    2014-01-01

    This is the first book in longitudinal categorical data analysis with parametric correlation models developed based on dynamic relationships among repeated categorical responses. This book is a natural generalization of the longitudinal binary data analysis to the multinomial data setup with more than two categories. Thus, unlike the existing books on cross-sectional categorical data analysis using log linear models, this book uses multinomial probability models both in cross-sectional and longitudinal setups. A theoretical foundation is provided for the analysis of univariate multinomial responses, by developing models systematically for the cases with no covariates as well as categorical covariates, both in cross-sectional and longitudinal setups. In the longitudinal setup, both stationary and non-stationary covariates are considered. These models have also been extended to the bivariate multinomial setup along with suitable covariates. For the inferences, the book uses the generalized quasi-likelihood as w...

  12. Pathway analysis of IMC

    DEFF Research Database (Denmark)

    Skrypnyuk, Nataliya; Nielson, Flemming; Pilegaard, Henrik

    2009-01-01

    We present the ongoing work on the pathway analysis of a stochastic calculus. Firstly we present a particular stochastic calculus that we have chosen for our modeling - the Interactive Markov Chains calculus, IMC for short. After that we specify a few restrictions that we have introduced into the......We present the ongoing work on the pathway analysis of a stochastic calculus. Firstly we present a particular stochastic calculus that we have chosen for our modeling - the Interactive Markov Chains calculus, IMC for short. After that we specify a few restrictions that we have introduced...... into the syntax of IMC in order to make our analysis feasible. Finally we describe the analysis itself together with several theoretical results that we have proved for it....

  13. Gabor Analysis for Imaging

    DEFF Research Database (Denmark)

    Christensen, Ole; Feichtinger, Hans G.; Paukner, Stephan

    2015-01-01

    In contrast to classical Fourier analysis, time–frequency analysis is concerned with localized Fourier transforms. Gabor analysis is an important branch of time–frequency analysis. Although significantly different, it shares with the wavelet transform methods the ability to describe the smoothness...... of a given function in a location-dependent way. The main tool is the sliding window Fourier transform or short-time Fourier transform (STFT) in the context of audio signals. It describes the correlation of a signal with the time–frequency shifted copies of a fixed function (or window or atom). Thus......, it characterizes a function by its transform over phase space, which is the time–frequency plane (TF-plane) in a musical context or the location–wave-number domain in the context of image processing. Since the transition from the signal domain to the phase space domain introduces an enormous amount of data...

  14. Quantitative investment analysis

    CERN Document Server

    DeFusco, Richard

    2007-01-01

    In the "Second Edition" of "Quantitative Investment Analysis," financial experts Richard DeFusco, Dennis McLeavey, Jerald Pinto, and David Runkle outline the tools and techniques needed to understand and apply quantitative methods to today's investment process.

  15. Analysis and logic

    CERN Document Server

    Henson, C Ward; Kechris, Alexander S; Odell, Edward; Finet, Catherine; Michaux, Christian; Cassels, J W S

    2003-01-01

    This volume comprises articles from four outstanding researchers who work at the cusp of analysis and logic. The emphasis is on active research topics; many results are presented that have not been published before and open problems are formulated.

  16. Visual time series analysis

    DEFF Research Database (Denmark)

    Fischer, Paul; Hilbert, Astrid

    2012-01-01

    We introduce a platform which supplies an easy-to-handle, interactive, extendable, and fast analysis tool for time series analysis. In contrast to other software suits like Maple, Matlab, or R, which use a command-line-like interface and where the user has to memorize/look-up the appropriate...... commands, our application is select-and-click-driven. It allows to derive many different sequences of deviations for a given time series and to visualize them in different ways in order to judge their expressive power and to reuse the procedure found. For many transformations or model-ts, the user may...... choose between manual and automated parameter selection. The user can dene new transformations and add them to the system. The application contains efficient implementations of advanced and recent techniques for time series analysis including techniques related to extreme value analysis and filtering...

  17. 13. seminar 'Activation analysis'

    International Nuclear Information System (INIS)

    Collection of the abstracts of contributions to the seminar covering broad ranges of application of activation analysis and improvements of systems and process steps. Most of them have been prepared separately for the energy data bases. (RB)

  18. Unsupervised Linear Discriminant Analysis

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    An algorithm for unsupervised linear discriminant analysis was presented. Optimal unsupervised discriminant vectors are obtained through maximizing covariance of all samples and minimizing covariance of local k-nearest neighbor samples. The experimental results show our algorithm is effective.

  19. Multidimensional nonlinear descriptive analysis

    CERN Document Server

    Nishisato, Shizuhiko

    2006-01-01

    Quantification of categorical, or non-numerical, data is a problem that scientists face across a wide range of disciplines. Exploring data analysis in various areas of research, such as the social sciences and biology, Multidimensional Nonlinear Descriptive Analysis presents methods for analyzing categorical data that are not necessarily sampled randomly from a normal population and often involve nonlinear relations. This reference not only provides an overview of multidimensional nonlinear descriptive analysis (MUNDA) of discrete data, it also offers new results in a variety of fields. The first part of the book covers conceptual and technical preliminaries needed to understand the data analysis in subsequent chapters. The next two parts contain applications of MUNDA to diverse data types, with each chapter devoted to one type of categorical data, a brief historical comment, and basic skills peculiar to the data types. The final part examines several problems and then concludes with suggestions for futu...

  20. Perspectives in shape analysis

    CERN Document Server

    Bruckstein, Alfred; Maragos, Petros; Wuhrer, Stefanie

    2016-01-01

    This book presents recent advances in the field of shape analysis. Written by experts in the fields of continuous-scale shape analysis, discrete shape analysis and sparsity, and numerical computing who hail from different communities, it provides a unique view of the topic from a broad range of perspectives. Over the last decade, it has become increasingly affordable to digitize shape information at high resolution. Yet analyzing and processing this data remains challenging because of the large amount of data involved, and because modern applications such as human-computer interaction require real-time processing. Meeting these challenges requires interdisciplinary approaches that combine concepts from a variety of research areas, including numerical computing, differential geometry, deformable shape modeling, sparse data representation, and machine learning. On the algorithmic side, many shape analysis tasks are modeled using partial differential equations, which can be solved using tools from the field of n...

  1. Systems analysis-independent analysis and verification

    Energy Technology Data Exchange (ETDEWEB)

    Badin, J.S.; DiPietro, J.P. [Energetics, Inc., Columbia, MD (United States)

    1995-09-01

    The DOE Hydrogen Program is supporting research, development, and demonstration activities to overcome the barriers to the integration of hydrogen into the Nation`s energy infrastructure. Much work is required to gain acceptance of hydrogen energy system concepts and to develop them for implementation. A systems analysis database has been created that includes a formal documentation of technology characterization profiles and cost and performance information. Through a systematic and quantitative approach, system developers can understand and address important issues and thereby assure effective and timely commercial implementation. This project builds upon and expands the previously developed and tested pathway model and provides the basis for a consistent and objective analysis of all hydrogen energy concepts considered by the DOE Hydrogen Program Manager. This project can greatly accelerate the development of a system by minimizing the risk of costly design evolutions, and by stimulating discussions, feedback, and coordination of key players and allows them to assess the analysis, evaluate the trade-offs, and to address any emerging problem areas. Specific analytical studies will result in the validation of the competitive feasibility of the proposed system and identify system development needs. Systems that are investigated include hydrogen bromine electrolysis, municipal solid waste gasification, electro-farming (biomass gasifier and PEM fuel cell), wind/hydrogen hybrid system for remote sites, home electrolysis and alternate infrastructure options, renewable-based electrolysis to fuel PEM fuel cell vehicle fleet, and geothermal energy used to produce hydrogen. These systems are compared to conventional and benchmark technologies. Interim results and findings are presented. Independent analyses emphasize quality, integrity, objectivity, a long-term perspective, corporate memory, and the merging of technical, economic, operational, and programmatic expertise.

  2. Redundant internal coordinates, compliance constants and non-bonded interactions - some new insights

    Indian Academy of Sciences (India)

    Moumita Majumder; Sadasivam Manogaran

    2013-01-01

    A long standing problem in normal mode analysis is identifying the right internal coordinates given only the cartesian coordinates, the masses of the atoms and the cartesian force constants without using any other additional chemical information. A possible solution is suggested here as drawing the normal modes obtained from the mass weighted cartesian force constant matrix and identifying the correct bonds and angles from the normal mode pictures. If chosen properly, the internal coordinates will have minimum mixing in the normal mode representation. This can in principle lead to an automation algorithm. A complete basis of internal coordinates is defined as the minimum number of valence internal coordinates that describe all the normal modes as completely as possible. It was shown in the literature that the relaxed force constants could be used as a measure of bond order in all atom-atom distance coordinates. Some of the bonded and non-bonded atom pairs can have similar values of the relaxed force constants and hence to use the relaxed force constant as a measure of bond order we need to separate the bonded pairs from the non-bonded ones. This needs extra chemical information of which pairs are bonded. The new definition of complete basis of non-redundant valence internal coordinates helps to identify the bonded pairs effectively without extra information. The hydrogen bonded water clusters (H2O), n = 2-6, methane dimer and methane-water complex are used as examples to verify that the relaxed force constants of bonded pairs are indeed a measure of bond order.

  3. Analysis of marketing mix

    OpenAIRE

    Hartmanová, Dominika

    2013-01-01

    Bachelor Thesis Analysis of the marketing mix describes a marketing mix of company Lego Tradings, s. r. o. The theoretical part includes specification of basic concepts, such as marketing, marketing mix, tools of marketing mix, product, price, place and promotion. The second part is devoted to custom solutions. The introducion of the Lego company comes first. There are also analysis of the tools of marketing mix. In this part the results are described for a marketing research, namely a quest...

  4. Theoretical numerical analysis

    CERN Document Server

    Wendroff, Burton

    2014-01-01

    Theoretical Numerical Analysis focuses on the presentation of numerical analysis as a legitimate branch of mathematics. The publication first elaborates on interpolation and quadrature and approximation. Discussions focus on the degree of approximation by polynomials, Chebyshev approximation, orthogonal polynomials and Gaussian quadrature, approximation by interpolation, nonanalytic interpolation and associated quadrature, and Hermite interpolation. The text then ponders on ordinary differential equations and solutions of equations. Topics include iterative methods for nonlinear systems, matri

  5. Analysis of educational blogs.

    OpenAIRE

    Christenová, Jindřiška

    2014-01-01

    Abstract The bachelor's thesis Analysis of educational blogs.is focused on theme content analizing of educational blogs, which has been written by teachers from czech republic in czech language. Further aim of thesis was to finding and description of sructure of themes and their attributes. In the reaserch was used method of theme content analysis with elemnts of inductive anylisis method. Main research sample was fifteen post from ten educational blogs written by teachers and educationali...

  6. Applied functional analysis

    CERN Document Server

    Griffel, DH

    2002-01-01

    A stimulating introductory text, this volume examines many important applications of functional analysis to mechanics, fluid mechanics, diffusive growth, and approximation. Detailed enough to impart a thorough understanding, the text is also sufficiently straightforward for those unfamiliar with abstract analysis. Its four-part treatment begins with distribution theory and discussions of Green's functions. Essentially independent of the preceding material, the second and third parts deal with Banach spaces, Hilbert space, spectral theory, and variational techniques. The final part outlines the

  7. Economic Analysis of Constitutions

    OpenAIRE

    Roger B. Myerson

    2000-01-01

    This paper is a preliminary draft of an article to appear in Chicago Law Review (2000), as part of a symposium reviewing two new books on economic analysis of constitutions: Dennis Mueller's Constitutional Democracy and Robert Cooter's Strategic Constitution. Some of the basic questions of constitutional analysis are introduced, and the importance of work in this area is shown as one of the major new developments in social theory. The methods of economic theory are then shown to be particular...

  8. MEAD retrospective analysis report

    OpenAIRE

    Hasager, Charlotte Bay; CARSTENSEN J.; Frohn, L. M.; Gustafson, B.; Brandt, J.; Conley, D.; Geernaert, G.; Henriksen, P.; C. A. Skjøth; Johnsson, M.

    2003-01-01

    The retrospective analysis investigates links between atmospheric nitrogen deposition and algal bloom development in the Kattegat Sea from April to September 1989-1999. The analysis is based on atmospheric deposition model results from the ACDEP model,hydrodynamic deep-water flux results, phytoplankton abundance observations from Danish and Swedish marine monitoring stations and optical satellite data. Approximately 70 % of the atmospheric deposition consists of wet depostion of highly episod...

  9. Bayesian Group Factor Analysis

    OpenAIRE

    Virtanen, Seppo; Klami, Arto; Khan, Suleiman A; Kaski, Samuel

    2011-01-01

    We introduce a factor analysis model that summarizes the dependencies between observed variable groups, instead of dependencies between individual variables as standard factor analysis does. A group may correspond to one view of the same set of objects, one of many data sets tied by co-occurrence, or a set of alternative variables collected from statistics tables to measure one property of interest. We show that by assuming group-wise sparse factors, active in a subset of the sets, the variat...

  10. Group Factor Analysis

    OpenAIRE

    Klami, Arto; Virtanen, Seppo; Leppäaho, Eemeli; Kaski, Samuel

    2014-01-01

    Factor analysis provides linear factors that describe relationships between individual variables of a data set. We extend this classical formulation into linear factors that describe relationships between groups of variables, where each group represents either a set of related variables or a data set. The model also naturally extends canonical correlation analysis to more than two sets, in a way that is more flexible than previous extensions. Our solution is formulated as variational inferenc...

  11. Hedging in Discourse Analysis

    Institute of Scientific and Technical Information of China (English)

    XIAO Xin

    2015-01-01

    In this article an attempt to enhance the awareness of hedging use in discourse analysis and academic writing is made by analyzing hedges employed in two comparable texts. The discourse analysis is conducted from“content-oriented”hedges and“reader-oriented”hedges. The article suggests that hedging can dampen utterances and statements, weaken the force of what one says and show politeness to the listeners or readers, which varies from different discourse styles of various genres.

  12. Sleep EEG analysis

    OpenAIRE

    Vávrová, Eva

    2014-01-01

    This thesis deals with the analysis of EEG during various sleep stages, which is done by calculating the selected parameters from the time and frequency domain. These parameters are calculated from individual segments of EEG signals that correspond with various sleep stages. Based on the analysis it decides which EEG parameters are appropriate for the automatic detection of the phases and which method is more suitable for evaluation of data in hypnogram. The programme MATLAB was used for the ...

  13. DART system analysis.

    Energy Technology Data Exchange (ETDEWEB)

    Boggs, Paul T.; Althsuler, Alan (Exagrid Engineering); Larzelere, Alex R. (Exagrid Engineering); Walsh, Edward J.; Clay, Ruuobert L.; Hardwick, Michael F. (Sandia National Laboratories, Livermore, CA)

    2005-08-01

    The Design-through-Analysis Realization Team (DART) is chartered with reducing the time Sandia analysts require to complete the engineering analysis process. The DART system analysis team studied the engineering analysis processes employed by analysts in Centers 9100 and 8700 at Sandia to identify opportunities for reducing overall design-through-analysis process time. The team created and implemented a rigorous analysis methodology based on a generic process flow model parameterized by information obtained from analysts. They also collected data from analysis department managers to quantify the problem type and complexity distribution throughout Sandia's analyst community. They then used this information to develop a community model, which enables a simple characterization of processes that span the analyst community. The results indicate that equal opportunity for reducing analysis process time is available both by reducing the ''once-through'' time required to complete a process step and by reducing the probability of backward iteration. In addition, reducing the rework fraction (i.e., improving the engineering efficiency of subsequent iterations) offers approximately 40% to 80% of the benefit of reducing the ''once-through'' time or iteration probability, depending upon the process step being considered. Further, the results indicate that geometry manipulation and meshing is the largest portion of an analyst's effort, especially for structural problems, and offers significant opportunity for overall time reduction. Iteration loops initiated late in the process are more costly than others because they increase ''inner loop'' iterations. Identifying and correcting problems as early as possible in the process offers significant opportunity for time savings.

  14. Applied functional analysis

    CERN Document Server

    Oden, J Tinsley

    2010-01-01

    The textbook is designed to drive a crash course for beginning graduate students majoring in something besides mathematics, introducing mathematical foundations that lead to classical results in functional analysis. More specifically, Oden and Demkowicz want to prepare students to learn the variational theory of partial differential equations, distributions, and Sobolev spaces and numerical analysis with an emphasis on finite element methods. The 1996 first edition has been used in a rather intensive two-semester course. -Book News, June 2010

  15. Submarine hydraulic control analysis

    OpenAIRE

    Bower, Michael J.

    1980-01-01

    Approved for public release; distribution unlimited A mathematical model was developed to include line effects in the submarine hydraulic system dynamic performance analysis. The project was undertaken in an effort to demonstrate the necessity of coupling the entire hydraulic power network for an accurate analysis of any of the subsystems rather than the current practice of treating a component loop as an isolated system. It was intended that the line model could be co...

  16. Fractal Symbolic Analysis

    OpenAIRE

    Mateev, Nikolay; Menon, Vijay; Pingali, Keshav

    2000-01-01

    Restructuring compilers use dependence analysis to prove that the meaning of a program is not changed by a transformation. A well-known limitation of dependence analysis is that it examines only the memory locations read and written by a statement, and does not assume any particular interpretation for the operations in that statement. Exploiting the semantics of these operations enables a wider set of transformations to be used, and is critical for optimizing important codes such as LU factor...

  17. Cuckoo malware analysis

    CERN Document Server

    Oktavianto, Digit

    2013-01-01

    This book is a step-by-step, practical tutorial for analyzing and detecting malware and performing digital investigations. This book features clear and concise guidance in an easily accessible format.Cuckoo Malware Analysis is great for anyone who wants to analyze malware through programming, networking, disassembling, forensics, and virtualization. Whether you are new to malware analysis or have some experience, this book will help you get started with Cuckoo Sandbox so you can start analysing malware effectively and efficiently.

  18. Zen and Behavior Analysis

    OpenAIRE

    Bass, Roger

    2010-01-01

    Zen's challenge for behavior analysis is to explain a repertoire that renders analysis itself meaningless—a result following not from scientific or philosophical arguments but rather from a unique verbal history generated by Zen's methods. Untying Zen's verbal knots suggests how meditation's and koans' effects on verbal behavior contribute to Enlightenment and Samādhi. The concept of stimulus singularity is introduced to account for why, within Zen's frame of reference, its methods can be stu...

  19. Temperature reconstruction analysis

    CERN Document Server

    Scafetta, N; Grigolini, P; Roberts, J; Scafetta, Nicola; Imholt, Tim; Grigolini, Paolo; Roberts, Jim

    2002-01-01

    This paper presents a wavelet multiresolution analysis of a time series dataset to study the correlation between the real temperature data and three temperature model reconstructions at different scales. We show that the Mann et.al. model reconstructs the temperature better at all temporal resolutions. We show and discuss the wavelet multiresolution analysis of the Mann's temperature reconstruction for the period from 1400 to 2000 A.D.E.

  20. CMS analysis operations

    International Nuclear Information System (INIS)

    During normal data taking CMS expects to support potentially as many as 2000 analysis users. Since the beginning of 2008 there have been more than 800 individuals who submitted a remote analysis job to the CMS computing infrastructure. The bulk of these users will be supported at the over 40 CMS Tier-2 centres. Supporting a globally distributed community of users on a globally distributed set of computing clusters is a task that requires reconsidering the normal methods of user support for Analysis Operations. In 2008 CMS formed an Analysis Support Task Force in preparation for large-scale physics analysis activities. The charge of the task force was to evaluate the available support tools, the user support techniques, and the direct feedback of users with the goal of improving the success rate and user experience when utilizing the distributed computing environment. The task force determined the tools needed to assess and reduce the number of non-zero exit code applications submitted through the grid interfaces and worked with the CMS experiment dashboard developers to obtain the necessary information to quickly and proactively identify issues with user jobs and data sets hosted at various sites. Results of the analysis group surveys were compiled. Reference platforms for testing and debugging problems were established in various geographic regions. The task force also assessed the resources needed to make the transition to a permanent Analysis Operations task. In this presentation the results of the task force will be discussed as well as the CMS Analysis Operations plans for the start of data taking.

  1. PEST Analysis of Serbia

    OpenAIRE

    Ivan Stosic; Drasko Nikolic; Aleksandar Zdravkovic

    2012-01-01

    The main purpose of this paper is to examine the impact of the current Serbian macro-environment on the businesses through the implementation of PEST analysis as a framework for assessing general or macro environment in which companies are operating. The authors argue the elements in presented PEST analysis indicate that the current macro-environment is characterized by the dominance of threats and weaknesses with few opportunities and strengths. Consequently, there is a strong need for faste...

  2. Provenance as Dependency Analysis

    OpenAIRE

    Cheney, James; Ahmed, Amal; Acar, Umut,

    2007-01-01

    Provenance is information recording the source, derivation, or history of some information. Provenance tracking has been studied in a variety of settings; however, although many design points have been explored, the mathematical or semantic foundations of data provenance have received comparatively little attention. In this paper, we argue that dependency analysis techniques familiar from program analysis and program slicing provide a formal foundation for forms of provenance that are intende...

  3. Activation analysis in forensic studies

    International Nuclear Information System (INIS)

    Application of neutron activation analysis in forensics are grouped into 3 categories: firearms-discharge applications, elemental analysis of other nonbiological evidence materials (paint, other), and elemental analysis of biological evidence materials (multielemental analysis of hair, analysis of hair for As and Hg). 18 refs

  4. Software reliability analysis in probabilistic risk analysis

    International Nuclear Information System (INIS)

    Probabilistic Risk Analysis (PRA) is a tool which can reveal shortcomings of the NPP design in general. PRA analysts have not had sufficient guiding principles in modelling particular digital components malfunctions. Digital I and C systems are mostly analysed simply and the software reliability estimates are engineering judgments often lacking a proper justification. The OECD/NEA Working Group RISK's task DIGREL develops a taxonomy of failure modes of digital I and C systems. The EU FP7 project HARMONICS develops software reliability estimation method based on an analytic approach and Bayesian belief network. (author)

  5. Activation analysis in Greece

    International Nuclear Information System (INIS)

    A review of research and development on NAA as well as examples of applications of this method are presented, taken from work carried out over the last 21 years at the Radioanalytical Laboratory of the Department of Chemistry in the Greek Nuclear Research Center ''Demokritos''. Improved and faster radiochemical NAA methods have been developed for the determination of Au, Ni, Cl, As, Cu, U, Cr, Eu, Hg and Mo in several materials, for the simultaneous determination of Br and I; Mg, Sr and Ni; As and Cu; As, Sb and Hg; Mn, Sr and Ba; Cd and Zn; Se and As; Mo and Cr in biological materials. Instrumental NAA methods have also been developed for the determination of Ag, Cl and Na in lake waters, Al, Ca, Mg and V in wines, 7 trace elements in biological materials, 17 trace elements in sediments and 20 minor and trace elements in ceramics. A comprehensive computer program for routine activation analysis using Ge(Li) detectors have been worked out. A rather extended charged-particle activation analysis program is carried out for the last 10 years, including particle induced X-ray emission (PIXE) analysis, particle induced prompt gamma-ray emission analysis (PIGE), other nuclear reactions and proton activation analysis. A special neutron activation method, the delayed fission neutron counting method is used for the analysis of fissionable elements, as U, Th, Pu, in samples of the whole nuclear fuel cycle including geological, enriched and nuclear safeguards samples

  6. Distributed analysis in ATLAS

    Science.gov (United States)

    Dewhurst, A.; Legger, F.

    2015-12-01

    The ATLAS experiment accumulated more than 140 PB of data during the first run of the Large Hadron Collider (LHC) at CERN. The analysis of such an amount of data is a challenging task for the distributed physics community. The Distributed Analysis (DA) system of the ATLAS experiment is an established and stable component of the ATLAS distributed computing operations. About half a million user jobs are running daily on DA resources, submitted by more than 1500 ATLAS physicists. The reliability of the DA system during the first run of the LHC and the following shutdown period has been high thanks to the continuous automatic validation of the distributed analysis sites and the user support provided by a dedicated team of expert shifters. During the LHC shutdown, the ATLAS computing model has undergone several changes to improve the analysis workflows, including the re-design of the production system, a new analysis data format and event model, and the development of common reduction and analysis frameworks. We report on the impact such changes have on the DA infrastructure, describe the new DA components, and include recent performance measurements.

  7. Distributed analysis in ATLAS

    CERN Document Server

    Legger, Federica; The ATLAS collaboration

    2015-01-01

    The ATLAS experiment accumulated more than 140 PB of data during the first run of the Large Hadron Collider (LHC) at CERN. The analysis of such an amount of data for the distributed physics community is a challenging task. The Distributed Analysis (DA) system of the ATLAS experiment is an established and stable component of the ATLAS distributed computing operations. About half a million user jobs are daily running on DA resources, submitted by more than 1500 ATLAS physicists. The reliability of the DA system during the first run of the LHC and the following shutdown period has been high thanks to the continuous automatic validation of the distributed analysis sites and the user support provided by a dedicated team of expert shifters. During the LHC shutdown, the ATLAS computing model has undergone several changes to improve the analysis workflows, including the re-design of the production system, a new analysis data format and event model, and the development of common reduction and analysis frameworks. We r...

  8. A PROOF Analysis Framework

    CERN Document Server

    Gonzalez Caballero, Isidro

    2012-01-01

    The analysis of the complex LHC data usually follows a standard path that aims at minimizing not only the amount of data but also the number of observables used. After a number of steps of slimming and skimming the data, the remaining few terabytes of ROOT files hold a selection of the events and a flat structure for the variables needed that can be more easily inspected and traversed in the final stages of the analysis. PROOF arises at this point as an efficient mechanism to distribute the analysis load by taking advantage of all the cores in modern CPUs through PROOF Lite, or by using PROOF Cluster or PROOF on Demand tools to build dynamic PROOF cluster on computing facilities with spare CPUs. However using PROOF at the level required for a serious analysis introduces some difficulties that may scare new adopters. We have developed the PROOF Analysis Framework (PAF) to facilitate the development of new analysis by uniformly exposing the PROOF related configurations across technologies and by taking care of ...

  9. Experimental study of modal parameter identification in a simulated ambient-excited structure

    Institute of Scientific and Technical Information of China (English)

    JI Xiaodong; QIAN Jiaru; XU Longhe

    2007-01-01

    Structure modal parameter online identification was used to monitor the structural health as evidenced by changes in the vibration characteristics.The natural excitation technique and the eigensystem realization algorithm were combined to identify the modal parameters in the time domain of a structure excited by simulated ambient vibrations.The mass-normalized mode shapes were obtained from the eigen-sensitivity analysis.The experimental modal analysis was performed on a two-story steel braced frame model excited by simulated ambient vibrations and hammer impacts.The mass-normalized mode shapes were acquired by changing the structural mass and by eigen-sensitivity analysis.From finite element analysis results and the experimental data,it is shown that this method is effective.

  10. Failure Analysis for Improved Reliability

    Science.gov (United States)

    Sood, Bhanu

    2016-01-01

    Outline: Section 1 - What is reliability and root cause? Section 2 - Overview of failure mechanisms. Section 3 - Failure analysis techniques (1. Non destructive analysis techniques, 2. Destructive Analysis, 3. Materials Characterization). Section 4 - Summary and Closure

  11. Neutron multiplicity analysis tool

    Energy Technology Data Exchange (ETDEWEB)

    Stewart, Scott L [Los Alamos National Laboratory

    2010-01-01

    I describe the capabilities of the EXCOM (EXcel based COincidence and Multiplicity) calculation tool which is used to analyze experimental data or simulated neutron multiplicity data. The input to the program is the count-rate data (including the multiplicity distribution) for a measurement, the isotopic composition of the sample and relevant dates. The program carries out deadtime correction and background subtraction and then performs a number of analyses. These are: passive calibration curve, known alpha and multiplicity analysis. The latter is done with both the point model and with the weighted point model. In the current application EXCOM carries out the rapid analysis of Monte Carlo calculated quantities and allows the user to determine the magnitude of sample perturbations that lead to systematic errors. Neutron multiplicity counting is an assay method used in the analysis of plutonium for safeguards applications. It is widely used in nuclear material accountancy by international (IAEA) and national inspectors. The method uses the measurement of the correlations in a pulse train to extract information on the spontaneous fission rate in the presence of neutrons from ({alpha},n) reactions and induced fission. The measurement is relatively simple to perform and gives results very quickly ({le} 1 hour). By contrast, destructive analysis techniques are extremely costly and time consuming (several days). By improving the achievable accuracy of neutron multiplicity counting, a nondestructive analysis technique, it could be possible to reduce the use of destructive analysis measurements required in safeguards applications. The accuracy of a neutron multiplicity measurement can be affected by a number of variables such as density, isotopic composition, chemical composition and moisture in the material. In order to determine the magnitude of these effects on the measured plutonium mass a calculational tool, EXCOM, has been produced using VBA within Excel. This

  12. INTERNAL ENVIRONMENT ANALYSIS TECHNIQUES

    Directory of Open Access Journals (Sweden)

    Caescu Stefan Claudiu

    2011-12-01

    Full Text Available Theme The situation analysis, as a separate component of the strategic planning, involves collecting and analysing relevant types of information on the components of the marketing environment and their evolution on the one hand and also on the organization’s resources and capabilities on the other. Objectives of the Research The main purpose of the study of the analysis techniques of the internal environment is to provide insight on those aspects that are of strategic importance to the organization. Literature Review The marketing environment consists of two distinct components, the internal environment that is made from specific variables within the organization and the external environment that is made from variables external to the organization. Although analysing the external environment is essential for corporate success, it is not enough unless it is backed by a detailed analysis of the internal environment of the organization. The internal environment includes all elements that are endogenous to the organization, which are influenced to a great extent and totally controlled by it. The study of the internal environment must answer all resource related questions, solve all resource management issues and represents the first step in drawing up the marketing strategy. Research Methodology The present paper accomplished a documentary study of the main techniques used for the analysis of the internal environment. Results The special literature emphasizes that the differences in performance from one organization to another is primarily dependant not on the differences between the fields of activity, but especially on the differences between the resources and capabilities and the ways these are capitalized on. The main methods of analysing the internal environment addressed in this paper are: the analysis of the organizational resources, the performance analysis, the value chain analysis and the functional analysis. Implications Basically such

  13. Harmonic and geometric analysis

    CERN Document Server

    Citti, Giovanna; Pérez, Carlos; Sarti, Alessandro; Zhong, Xiao

    2015-01-01

    This book presents an expanded version of four series of lectures delivered by the authors at the CRM. Harmonic analysis, understood in a broad sense, has a very wide interplay with partial differential equations and in particular with the theory of quasiconformal mappings and its applications. Some areas in which real analysis has been extremely influential are PDE's and geometric analysis. Their foundations and subsequent developments made extensive use of the Calderón–Zygmund theory, especially the Lp inequalities for Calderón–Zygmund operators (Beurling transform and Riesz transform, among others) and the theory of Muckenhoupt weights.  The first chapter is an application of harmonic analysis and the Heisenberg group to understanding human vision, while the second and third chapters cover some of the main topics on linear and multilinear harmonic analysis. The last serves as a comprehensive introduction to a deep result from De Giorgi, Moser and Nash on the regularity of elliptic partial differen...

  14. Forensic Activation Analysis

    International Nuclear Information System (INIS)

    The high sensitivity of high-flux (reactor) thermal-neutron activation analysis (NAA) for the detection and quantitative measurement of a large number of elements has led, in recent years, to a considerable degree of application of the method in the area of scientific crime investigation (criminalistics). Thus, in a Forensic Activation Analysis Bibliography recently compiled by the author, some 135 publications in this field are listed - and more are appearing quite rapidly. The nondestructive character of the purely-instrumental form of the method is an added advantage in forensic work, since evidence samples involved in actual criminal cases are not destroyed during analysis, but are preserved intact for possible presentation in court. Quite aside from, or in addition to, use in court, NAA results can be very helpful in the investigative stage of particular criminal cases. The ultra sensitivity of the method often enables one to analyze evidence specimens that are too tiny for meaningful analysis by more conventional elemental analysis methods. Also, this high sensitivity often enables one to characterize, or individualize, evidence specimens as to the possibility of common origin - via the principle of multi-element trace-constituent characterization

  15. Pitch Analysis of Ukulele

    Directory of Open Access Journals (Sweden)

    Suphattharachai Chomphan

    2012-01-01

    Full Text Available Problem statement: The ukulele is a trendy instrument in the present day. It is a member of the guitar family of instruments which employs four nylon or gut strings or four courses of strings. However, a statistical analysis of the pitch of this instrument has not been conducted. To analysis pitch or fundamental frequency of its main cords should be performed in an appropriate way. This study brings about its effective sound synthesis which is an important issue in the future. Approach: An efficient technique for the analysis of the fundamental frequency (F0 of the human speech had been applied to the analysis of main cords of the ukulele. The autocorrelation-based technique was used with the signal waveform to extract the optimal period or pitch for the corresponding analyzed frame in time domain. Then the corresponding fundamental frequency was calculated in the frequency domain. Results: The 21 main cords were chosen in the study. It had been seen that the existing fundamental frequency values were varied from one to three values. The value was ranging from 65.42 Hz-329.93 Hz. Conclusion: By using the analysis technique of fundamental frequency of the human speech, the output frequencies of all main cords can be extracted. It can be empirically seen that they have their unique values from each others."

  16. The stability of the three transmembrane and the four transmembrane human vitamin K epoxide reductase models

    Science.gov (United States)

    Wu, Sangwook

    2016-04-01

    The three transmembrane and the four transmembrane helix models are suggested for human vitamin K epoxide reductase (VKOR). In this study, we investigate the stability of the human three transmembrane/four transmembrane VKOR models by employing a coarse-grained normal mode analysis and molecular dynamics simulation. Based on the analysis of the mobility of each transmembrane domain, we suggest that the three transmembrane human VKOR model is more stable than the four transmembrane human VKOR model.

  17. Quantitative Molecular Thermochemistry Based on Path Integrals

    Energy Technology Data Exchange (ETDEWEB)

    Glaesemann, K R; Fried, L E

    2005-03-14

    The calculation of thermochemical data requires accurate molecular energies and heat capacities. Traditional methods rely upon the standard harmonic normal mode analysis to calculate the vibrational and rotational contributions. We utilize path integral Monte Carlo (PIMC) for going beyond the harmonic analysis, to calculate the vibrational and rotational contributions to ab initio energies. This is an application and extension of a method previously developed in our group.

  18. Applied multivariate statistical analysis

    CERN Document Server

    Härdle, Wolfgang Karl

    2015-01-01

    Focusing on high-dimensional applications, this 4th edition presents the tools and concepts used in multivariate data analysis in a style that is also accessible for non-mathematicians and practitioners.  It surveys the basic principles and emphasizes both exploratory and inferential statistics; a new chapter on Variable Selection (Lasso, SCAD and Elastic Net) has also been added.  All chapters include practical exercises that highlight applications in different multivariate data analysis fields: in quantitative financial studies, where the joint dynamics of assets are observed; in medicine, where recorded observations of subjects in different locations form the basis for reliable diagnoses and medication; and in quantitative marketing, where consumers’ preferences are collected in order to construct models of consumer behavior.  All of these examples involve high to ultra-high dimensions and represent a number of major fields in big data analysis. The fourth edition of this book on Applied Multivariate ...

  19. Mathematical analysis II

    CERN Document Server

    Canuto, Claudio

    2015-01-01

    The purpose of the volume is to provide a support textbook for a second lecture course on Mathematical Analysis. The contents are organised to suit, in particular, students of Engineering, Computer Science and Physics, all areas in which mathematical tools play a crucial role. The basic notions and methods concerning integral and differential calculus for multivariable functions, series of functions and ordinary differential equations are presented in a manner that elicits critical reading and prompts a hands-on approach to concrete applications. The pedagogical layout echoes the one used in the companion text Mathematical Analysis I. The book’s structure has a specifically-designed modular nature, which allows for great flexibility in the preparation of a lecture course on Mathematical Analysis. The style privileges clarity in the exposition and a linear progression through the theory. The material is organised on two levels. The first, reflected in this book, allows students to grasp the essential ideas, ...

  20. The data analysis handbook

    CERN Document Server

    Frank, IE

    1994-01-01

    Analyzing observed or measured data is an important step in applied sciences. The recent increase in computer capacity has resulted in a revolution both in data collection and data analysis. An increasing number of scientists, researchers and students are venturing into statistical data analysis; hence the need for more guidance in this field, which was previously dominated mainly by statisticians. This handbook fills the gap in the range of textbooks on data analysis. Written in a dictionary format, it will serve as a comprehensive reference book in a rapidly growing field. However, this book is more structured than an ordinary dictionary, where each entry is a separate, self-contained entity. The authors provide not only definitions and short descriptions, but also offer an overview of the different topics. Therefore, the handbook can also be used as a companion to textbooks for undergraduate or graduate courses. 1700 entries are given in alphabetical order grouped into 20 topics and each topic is organized...

  1. Trajectory Based Traffic Analysis

    DEFF Research Database (Denmark)

    Krogh, Benjamin Bjerre; Andersen, Ove; Lewis-Kelham, Edwin;

    2013-01-01

    We present the INTRA system for interactive path-based traffic analysis. The analyses are developed in collaboration with traffic researchers and provide novel insights into conditions such as congestion, travel-time, choice of route, and traffic-flow. INTRA supports interactive point-and-click a......We present the INTRA system for interactive path-based traffic analysis. The analyses are developed in collaboration with traffic researchers and provide novel insights into conditions such as congestion, travel-time, choice of route, and traffic-flow. INTRA supports interactive point......-and-click analysis, due to a novel and efficient indexing structure. With the web-site daisy.aau.dk/its/spqdemo/we will demonstrate several analyses, using a very large real-world data set consisting of 1.9 billion GPS records (1.5 million trajectories) recorded from more than 13000 vehicles, and touching most...

  2. Principles of harmonic analysis

    CERN Document Server

    Deitmar, Anton

    2014-01-01

    This book offers a complete and streamlined treatment of the central principles of abelian harmonic analysis: Pontryagin duality, the Plancherel theorem and the Poisson summation formula, as well as their respective generalizations to non-abelian groups, including the Selberg trace formula. The principles are then applied to spectral analysis of Heisenberg manifolds and Riemann surfaces. This new edition contains a new chapter on p-adic and adelic groups, as well as a complementary section on direct and projective limits. Many of the supporting proofs have been revised and refined. The book is an excellent resource for graduate students who wish to learn and understand harmonic analysis and for researchers seeking to apply it.

  3. Mathematical analysis I

    CERN Document Server

    Zorich, Vladimir A

    2015-01-01

    VLADIMIR A. ZORICH is professor of mathematics at Moscow State University. His areas of specialization are analysis, conformal geometry, quasiconformal mappings, and mathematical aspects of thermodynamics. He solved the problem of global homeomorphism for space quasiconformal mappings. He holds a patent in the technology of mechanical engineering, and he is also known by his book Mathematical Analysis of Problems in the Natural Sciences . This second English edition of a very popular two-volume work presents a thorough first course in analysis, leading from real numbers to such advanced topics as differential forms on manifolds; asymptotic methods; Fourier, Laplace, and Legendre transforms; elliptic functions; and distributions. Especially notable in this course are the clearly expressed orientation toward the natural sciences and the informal exploration of the essence and the roots of the basic concepts and theorems of calculus. Clarity of exposition is matched by a wealth of instructive exercises, problems...

  4. Digital Fourier analysis fundamentals

    CERN Document Server

    Kido, Ken'iti

    2015-01-01

    This textbook is a thorough, accessible introduction to digital Fourier analysis for undergraduate students in the sciences. Beginning with the principles of sine/cosine decomposition, the reader walks through the principles of discrete Fourier analysis before reaching the cornerstone of signal processing: the Fast Fourier Transform. Saturated with clear, coherent illustrations, "Digital Fourier Analysis - Fundamentals" includes practice problems and thorough Appendices for the advanced reader. As a special feature, the book includes interactive applets (available online) that mirror the illustrations.  These user-friendly applets animate concepts interactively, allowing the user to experiment with the underlying mathematics. For example, a real sine signal can be treated as a sum of clockwise and counter-clockwise rotating vectors. The applet illustration included with the book animates the rotating vectors and the resulting sine signal. By changing parameters such as amplitude and frequency, the reader ca...

  5. Real analysis on intervals

    CERN Document Server

    Choudary, A D R

    2014-01-01

    The book targets undergraduate and postgraduate mathematics students and helps them develop a deep understanding of mathematical analysis. Designed as a first course in real analysis, it helps students learn how abstract mathematical analysis solves mathematical problems that relate to the real world. As well as providing a valuable source of inspiration for contemporary research in mathematics, the book helps students read, understand and construct mathematical proofs, develop their problem-solving abilities and comprehend the importance and frontiers of computer facilities and much more. It offers comprehensive material for both seminars and independent study for readers with a basic knowledge of calculus and linear algebra. The first nine chapters followed by the appendix on the Stieltjes integral are recommended for graduate students studying probability and statistics, while the first eight chapters followed by the appendix on dynamical systems will be of use to students of biology and environmental scie...

  6. Analysis of Waves

    DEFF Research Database (Denmark)

    Frigaard, Peter; Andersen, Thomas Lykke

    The present book describes the most important aspects of wave analysis techniques applied to physical model tests. Moreover, the book serves as technical documentation for the wave analysis software WaveLab 3, cf. Aalborg University (2012). In that respect it should be mentioned that supplementary...... to the present technical documentation exists also the online help document describing the WaveLab software in detail including all the inputs and output fields. In addition to the two main authors also Tue Hald, Jacob Helm-Petersen and Morten Møller Jakobsen have contributed to the note. Their input is highly...... acknowledged. The outline of the book is as follows: • Chapter 2 and 3 describes analysis of waves in time and frequency domain. • Chapter 4 and 5 describes the separation of incident and reflected waves for the two-dimensional case. • Chapter 6 describes the estimation of the directional spectra which also...

  7. Proximate analysis of coal

    Energy Technology Data Exchange (ETDEWEB)

    Donahue, C.J.; Rais, E.A. [University of Michigan, Dearborn, MI (USA)

    2009-02-15

    This lab experiment illustrates the use of thermogravimetric analysis (TGA) to perform proximate analysis on a series of coal samples of different rank. Peat and coke are also examined. A total of four exercises are described. These are dry exercises as students interpret previously recorded scans. The weight percent moisture, volatile matter, fixed carbon, and ash content are determined for each sample and comparisons are made. Proximate analysis is performed on a coal sample from a local electric utility. From the weight percent sulfur found in the coal (determined by a separate procedure the Eschka method) and the ash content, students calculate the quantity of sulfur dioxide emissions and ash produced annually by a large coal-fired electric power plant.

  8. Real mathematical analysis

    CERN Document Server

    Pugh, Charles C

    2015-01-01

    Based on an honors course taught by the author at UC Berkeley, this introduction to undergraduate real analysis gives a different emphasis by stressing the importance of pictures and hard problems. Topics include: a natural construction of the real numbers, four-dimensional visualization, basic point-set topology, function spaces, multivariable calculus via differential forms (leading to a simple proof of the Brouwer Fixed Point Theorem), and a pictorial treatment of Lebesgue theory. Over 150 detailed illustrations elucidate abstract concepts and salient points in proofs. The exposition is informal and relaxed, with many helpful asides, examples, some jokes, and occasional comments from mathematicians, such as Littlewood, Dieudonné, and Osserman. This book thus succeeds in being more comprehensive, more comprehensible, and more enjoyable, than standard introductions to analysis. New to the second edition of Real Mathematical Analysis is a presentation of Lebesgue integration done almost entirely using the un...

  9. Pitfalls of exergy analysis

    CERN Document Server

    Vágner, Petr; Maršík, František

    2016-01-01

    The well-known Gouy-Stodola theorem states that a device produces maximum useful power when working reversibly, that is with no entropy production inside the device. This statement then leads to a method of thermodynamic optimization based on entropy production minimization. Exergy destruction (difference between exergy of fuel and exhausts) is also given by entropy production inside the device. Therefore, assessing efficiency of a device by exergy analysis is also based on the Gouy-Stodola theorem. However, assumptions that had led to the Gouy-Stodola theorem are not satisfied in several optimization scenarios, e.g. non-isothermal steady-state fuel cells, where both entropy production minimization and exergy analysis should be used with caution. We demonstrate, using non-equilibrium thermodynamics, a few cases where entropy production minimization and exergy analysis should not be applied.

  10. Residual Component Analysis

    CERN Document Server

    Kalaitzis, Alfredo A

    2011-01-01

    Probabilistic principal component analysis (PPCA) seeks a low dimensional representation of a data set in the presence of independent spherical Gaussian noise, Sigma = (sigma^2)*I. The maximum likelihood solution for the model is an eigenvalue problem on the sample covariance matrix. In this paper we consider the situation where the data variance is already partially explained by other factors, e.g. covariates of interest, or temporal correlations leaving some residual variance. We decompose the residual variance into its components through a generalized eigenvalue problem, which we call residual component analysis (RCA). We show that canonical covariates analysis (CCA) is a special case of our algorithm and explore a range of new algorithms that arise from the framework. We illustrate the ideas on a gene expression time series data set and the recovery of human pose from silhouette.

  11. Exercises in analysis

    CERN Document Server

    Gasiński, Leszek

    2016-01-01

    This second of two Exercises in Analysis volumes covers problems in five core topics of mathematical analysis: Function Spaces, Nonlinear and Multivalued Maps, Smooth and Nonsmooth Calculus, Degree Theory and Fixed Point Theory, and Variational and Topological Methods. Each of five topics corresponds to a different chapter with inclusion of the basic theory and accompanying main definitions and results, followed by suitable comments and remarks for better understanding of the material. Exercises/problems are presented for each topic, with solutions available at the end of each chapter. The entire collection of exercises offers a balanced and useful picture for the application surrounding each topic. This nearly encyclopedic coverage of exercises in mathematical analysis is the first of its kind and is accessible to a wide readership. Graduate students will find the collection of problems valuable in preparation for their preliminary or qualifying exams as well as for testing their deeper understanding of the ...

  12. Power electronics reliability analysis.

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Mark A.; Atcitty, Stanley

    2009-12-01

    This report provides the DOE and industry with a general process for analyzing power electronics reliability. The analysis can help with understanding the main causes of failures, downtime, and cost and how to reduce them. One approach is to collect field maintenance data and use it directly to calculate reliability metrics related to each cause. Another approach is to model the functional structure of the equipment using a fault tree to derive system reliability from component reliability. Analysis of a fictitious device demonstrates the latter process. Optimization can use the resulting baseline model to decide how to improve reliability and/or lower costs. It is recommended that both electric utilities and equipment manufacturers make provisions to collect and share data in order to lay the groundwork for improving reliability into the future. Reliability analysis helps guide reliability improvements in hardware and software technology including condition monitoring and prognostics and health management.

  13. Neutron signal transfer analysis

    CERN Document Server

    Pleinert, H; Lehmann, E

    1999-01-01

    A new method called neutron signal transfer analysis has been developed for quantitative determination of hydrogenous distributions from neutron radiographic measurements. The technique is based on a model which describes the detector signal obtained in the measurement as a result of the action of three different mechanisms expressed by signal transfer functions. The explicit forms of the signal transfer functions are determined by Monte Carlo computer simulations and contain only the distribution as a variable. Therefore an unknown distribution can be determined from the detector signal by recursive iteration. This technique provides a simple and efficient tool for analysis of this type while also taking into account complex effects due to the energy dependency of neutron interaction and single and multiple scattering. Therefore this method provides an efficient tool for precise quantitative analysis using neutron radiography, as for example quantitative determination of moisture distributions in porous buil...

  14. Badge Office Process Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Haurykiewicz, John Paul [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dinehart, Timothy Grant [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Parker, Robert Young [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-05-12

    The purpose of this process analysis was to analyze the Badge Offices’ current processes from a systems perspective and consider ways of pursuing objectives set forth by SEC-PS, namely increased customer flow (throughput) and reduced customer wait times. Information for the analysis was gathered for the project primarily through Badge Office Subject Matter Experts (SMEs), and in-person observation of prevailing processes. Using the information gathered, a process simulation model was constructed to represent current operations and allow assessment of potential process changes relative to factors mentioned previously. The overall purpose of the analysis was to provide SEC-PS management with information and recommendations to serve as a basis for additional focused study and areas for potential process improvements in the future.

  15. Foundations of VISAR analysis.

    Energy Technology Data Exchange (ETDEWEB)

    Dolan, Daniel H.

    2006-06-01

    The Velocity Interferometer System for Any Reflector (VISAR) is a widely used diagnostic at Sandia National Laboratories. Although the operating principles of the VISAR are well established, recently deployed systems (such as the fast push-pull and air delay VISAR) require more careful consideration, and many common assumptions about VISAR are coming into question. This report presents a comprehensive review of VISAR analysis to address these issues. Detailed treatment of several interferometer configurations is given to identify important aspects of the operation and characterization of VISAR systems. The calculation of velocity from interferometer measurements is also described. The goal is to derive the standard VISAR analysis relationships, indicate when these relationships are valid, and provide alternative methods when the standard analysis fails.

  16. Software safety hazard analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lawrence, J.D. [Lawrence Livermore National Lab., CA (United States)

    1996-02-01

    Techniques for analyzing the safety and reliability of analog-based electronic protection systems that serve to mitigate hazards in process control systems have been developed over many years, and are reasonably well understood. An example is the protection system in a nuclear power plant. The extension of these techniques to systems which include digital computers is not well developed, and there is little consensus among software engineering experts and safety experts on how to analyze such systems. One possible technique is to extend hazard analysis to include digital computer-based systems. Software is frequently overlooked during system hazard analyses, but this is unacceptable when the software is in control of a potentially hazardous operation. In such cases, hazard analysis should be extended to fully cover the software. A method for performing software hazard analysis is proposed in this paper.

  17. Basic real analysis

    CERN Document Server

    Sohrab, Houshang H

    2014-01-01

    This expanded second edition presents the fundamentals and touchstone results of real analysis in full rigor, but in a style that requires little prior familiarity with proofs or mathematical language. The text is a comprehensive and largely self-contained introduction to the theory of real-valued functions of a real variable. The chapters on Lebesgue measure and integral have been rewritten entirely and greatly improved. They now contain Lebesgue’s differentiation theorem as well as his versions of the Fundamental Theorem(s) of Calculus. With expanded chapters, additional problems, and an expansive solutions manual, Basic Real Analysis, Second Edition, is ideal for senior undergraduates and first-year graduate students, both as a classroom text and a self-study guide. Reviews of first edition: The book is a clear and well-structured introduction to real analysis aimed at senior undergraduate and beginning graduate students. The prerequisites are few, but a certain mathematical sophistication is required. ....

  18. Fuzzy data analysis

    CERN Document Server

    Bandemer, Hans

    1992-01-01

    Fuzzy data such as marks, scores, verbal evaluations, imprecise observations, experts' opinions and grey tone pictures, are quite common. In Fuzzy Data Analysis the authors collect their recent results providing the reader with ideas, approaches and methods for processing such data when looking for sub-structures in knowledge bases for an evaluation of functional relationship, e.g. in order to specify diagnostic or control systems. The modelling presented uses ideas from fuzzy set theory and the suggested methods solve problems usually tackled by data analysis if the data are real numbers. Fuzzy Data Analysis is self-contained and is addressed to mathematicians oriented towards applications and to practitioners in any field of application who have some background in mathematics and statistics.

  19. Sensitivity analysis and related analysis : A survey of statistical techniques

    NARCIS (Netherlands)

    Kleijnen, J.P.C.

    1995-01-01

    This paper reviews the state of the art in five related types of analysis, namely (i) sensitivity or what-if analysis, (ii) uncertainty or risk analysis, (iii) screening, (iv) validation, and (v) optimization. The main question is: when should which type of analysis be applied; which statistical tec

  20. UCF WP TIPOVER ANALYSIS

    Energy Technology Data Exchange (ETDEWEB)

    Z. Ceylan

    1998-04-28

    The purpose of this analysis is to determine the structural response of the 21 pressurized water reactor (PWR) uncanistered fuel (UCF) waste package (WP) to a tipover design basis event (DBE) dynamic load; the results will be reported in terms of stress magnitudes. Finite-element solution was performed by making use of the commercially available ANSYS finite-element code. A finite-element model of the waste package was developed and analyzed for a tipover DBE dynamic load. The results of this analysis were provided in tables and were also plotted in terms of the maximum stress contours to determine their locations.