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Sample records for reliable vibrational assignments

  1. A Review on Eigenstructure Assignment Methods and Orthogonal Eigenstructure Control of Structural Vibrations

    Directory of Open Access Journals (Sweden)

    Mohammad Rastgaar

    2009-01-01

    Full Text Available This paper provides a state-of-the-art review of eigenstructure assignment methods for vibration cancellation. Eigenstructure assignment techniques have been widely used during the past three decades for vibration suppression in structures, especially in large space structures. These methods work similar to mode localization in which global vibrations are managed such that they remain localized within the structure. Such localization would help reducing vibrations more effectively than other methods of vibration cancellation, by virtue of confining the vibrations close to the source of disturbance. The common objective of different methods of eigenstructure assignment is to provide controller design freedom beyond pole placement, and define appropriate shapes for the eigenvectors of the systems. These methods; however, offer a large and complex design space of options that can often overwhelm the control designer. Recent developments in orthogonal eigenstructure control offers a significant simplification of the design task while allowing some experience-based design freedom. The majority of the papers from the past three decades in structural vibration cancellation using eigenstructure assignment methods are reviewed, along with recent studies that introduce new developments in eigenstructure assignment techniques.

  2. Study for increasing micro-drill reliability by vibrating drilling

    International Nuclear Information System (INIS)

    Yang Zhaojun; Li Wei; Chen Yanhong; Wang Lijiang

    1998-01-01

    A study for increasing micro-drill reliability by vibrating drilling is described. Under the experimental conditions of this study it is observed, from reliability testing and the fitting of a life-distribution function, that the lives of micro-drills under ordinary drilling follow the log-normal distribution and the lives of micro-drills under vibrating drilling follow the Weibull distribution. Calculations for reliability analysis show that vibrating drilling can increase the lives of micro-drills and correspondingly reduce the scatter of drill lives. Therefore, vibrating drilling increases the reliability of micro-drills

  3. Assignment of absolute stereostructures through quantum mechanics electronic and vibrational circular dichroism calculations.

    Science.gov (United States)

    Dai, Peng; Jiang, Nan; Tan, Ren-Xiang

    2016-01-01

    Elucidation of absolute configuration of chiral molecules including structurally complex natural products remains a challenging problem in organic chemistry. A reliable method for assigning the absolute stereostructure is to combine the experimental circular dichroism (CD) techniques such as electronic and vibrational CD (ECD and VCD), with quantum mechanics (QM) ECD and VCD calculations. The traditional QM methods as well as their continuing developments make them more applicable with accuracy. Taking some chiral natural products with diverse conformations as examples, this review describes the basic concepts and new developments of QM approaches for ECD and VCD calculations in solution and solid states.

  4. Reliability-based optimization of an active vibration controller using evolutionary algorithms

    Science.gov (United States)

    Saraygord Afshari, Sajad; Pourtakdoust, Seid H.

    2017-04-01

    Many modern industrialized systems such as aircrafts, rotating turbines, satellite booms, etc. cannot perform their desired tasks accurately if their uninhibited structural vibrations are not controlled properly. Structural health monitoring and online reliability calculations are emerging new means to handle system imposed uncertainties. As stochastic forcing are unavoidable, in most engineering systems, it is often needed to take them into the account for the control design process. In this research, smart material technology is utilized for structural health monitoring and control in order to keep the system in a reliable performance range. In this regard, a reliability-based cost function is assigned for both controller gain optimization as well as sensor placement. The proposed scheme is implemented and verified for a wing section. Comparison of results for the frequency responses is considered to show potential applicability of the presented technique.

  5. The obscure factor analysis on the vibration reliability of the internals of nuclear power plant reactor and anti-vibration measures

    International Nuclear Information System (INIS)

    Fu Geyan; Zhu Qirong

    1998-11-01

    It is pointed out that the main reason making nuclear power plants reactors leak is the vibration of internals of reactors. The factors which lead the vibration all have randomness and obscureness. The obscure reliability theory is introduced to the vibration system of internals of nuclear power reactor. Based on a quantity of designing and moving data, the obscure factors effecting the vibration reliability of the internals of nuclear power plant reactor are analyzed and the anti-vibration reliability criteria and the evaluating model are given. And the anti-vibration reliability measures are advanced from different quarters of the machine design and building, the thermohydraulics design, the control of reactivity, etc.. They may benefit the theory and practice for building and perfecting the vibration obscure reliability model of the reactor internals

  6. Conformational Stability, Structural Parameters And Vibrational Assignments of Allantoin

    International Nuclear Information System (INIS)

    Haman, S.

    2008-01-01

    Allantoin 2,5-Dioxo-4-imidazolinyl) urea , the diureide of glyoxylic acid, is a crystallisable oxidation product of uric acid found in allantoic and amniotic fluids, in fetal urine and in many plants. It is a healing, moisturizing, soothing and anti-irritating, keratolytic and non-toxic agent useful in dermatological, cosmetic and veterinary preparation. The optimized geometries and energies of the low-energy conformers of allantoin have been calculated using density functional theory (Daft) method. The calculations were performed with Beck's nonlocal three-parameter hybrid functional in combination with the Lee, Yang, and Parr correlation functional (By-play) using the 6-311++G(d,p) basis set. We calculated the infrared frequencies and intensities of the most stable conformers in order to assist in the assignment of the vibrational bands in the experimental spectrum. The B3LYP/6-311+G(d,p) harmonic force constants were scaled by applying the scaled quantum mechanical force field (SQM) technique. The calculated vibrational spectra were interpreted and band assignments were reported

  7. A method to assign failure rates for piping reliability assessments

    International Nuclear Information System (INIS)

    Gamble, R.M.; Tagart, S.W. Jr.

    1991-01-01

    This paper reports on a simplified method that has been developed to assign failure rates that can be used in reliability and risk studies of piping. The method can be applied on a line-by-line basis by identifying line and location specific attributes that can lead to piping unreliability from in-service degradation mechanisms and random events. A survey of service experience for nuclear piping reliability also was performed. The data from this survey provides a basis for identifying in-service failure attributes and assigning failure rates for risk and reliability studies

  8. Validity and inter-observer reliability of subjective hand-arm vibration assessments

    NARCIS (Netherlands)

    Coenen, P.; Formanoy, M.; Douwes, M.; Bosch, T.; Kraker, H. de

    2014-01-01

    Exposure to mechanical vibrations at work (e.g., due to handling powered tools) is a potential occupational risk as it may cause upper extremity complaints. However, reliable and valid assessment methods for vibration exposure at work are lacking. Measuring hand-arm vibration objectively is often

  9. Development of seismic technology and reliability based on vibration tests

    International Nuclear Information System (INIS)

    Sasaki, Youichi

    1997-01-01

    This paper deals with some of the vibration tests and investigations on the seismic safety of nuclear power plants (NPPs) in Japan. To ensure the reliability of the seismic safety of nuclear power plants, nuclear power plants in Japan have been designed according to the Technical Guidelines for Aseismic Design of Nuclear Power Plants. This guideline has been developed based on technical date base and findings which were obtained from many vibration tests and investigations. Besides the tests for the guideline, proving tests on seismic reliability of operating nuclear power plants equipment and systems have been carried out. In this paper some vibration tests and their evaluation results are presented. They have crucially contributed to develop the guideline. (J.P.N.)

  10. Development of seismic technology and reliability based on vibration tests

    Energy Technology Data Exchange (ETDEWEB)

    Sasaki, Youichi [Nuclear Power Engineering Corp., Tokyo (Japan)

    1997-03-01

    This paper deals with some of the vibration tests and investigations on the seismic safety of nuclear power plants (NPPs) in Japan. To ensure the reliability of the seismic safety of nuclear power plants, nuclear power plants in Japan have been designed according to the Technical Guidelines for Aseismic Design of Nuclear Power Plants. This guideline has been developed based on technical date base and findings which were obtained from many vibration tests and investigations. Besides the tests for the guideline, proving tests on seismic reliability of operating nuclear power plants equipment and systems have been carried out. In this paper some vibration tests and their evaluation results are presented. They have crucially contributed to develop the guideline. (J.P.N.)

  11. Identification of the best DFT functionals for a reliable prediction of lignin vibrational properties

    DEFF Research Database (Denmark)

    Barsberg, Soren

    2015-01-01

    Lignin is the most abundant aromatic plant polymer on earth. Useful information on its structure and interactions is gained by vibrational spectroscopy and relies on the quality of band assignments. B3LYP predictions were recently shown to support band assignments. Further progress calls...

  12. Test–Retest Reliability and Concurrent Validity of an fMRI-Compatible Pneumatic Vibrator to Stimulate Muscle Proprioceptors.

    Science.gov (United States)

    Goossens, Nina; Janssens, Lotte; Pijnenburg, Madelon; Caeyenberghs, Karen; Van Rompuy, Charlotte; Meugens, Paul; Sunaert, Stefan; Brumagne, Simon

    Processing proprioceptive information in the brain is essential for optimal postural control and can be studied with proprioceptive stimulation, provided by muscle vibration, during functional magnetic resonance imaging (fMRI). Classic electromagnetic muscle vibrators, however, cannot be used in the high-strength magnetic field of the fMRI scanner. Pneumatic vibrators offer an fMRI-compatible alternative. However, whether these devices produce reliable and valid proprioceptive stimuli has not been investigated, although this is essential for these devices to be used in longitudinal research. Test–retest reliability and concurrent validity of the postural response to muscle vibration, provided by custom-made fMRI-compatible pneumatic vibrators, were assessed in a repeated-measures design. Mean center of pressure (CoP) displacements during, respectively, ankle muscle and back muscle vibration (45–60 Hz, 0.5 mm) provided by an electromagnetic and a pneumatic vibrator were measured in ten young healthy subjects. The test was repeated on the same day and again within one week. Intraclass correlation coefficients (ICC) were calculated to assess (a) intra- and interday reliability of the postural responses to, respectively, pneumatic and electromagnetic vibration, and (b) concurrent validity of the response to pneumatic compared to electromagnetic vibration. Test–retest reliability of mean CoP displacements during pneumatic vibration was good to excellent (ICCs = 0.64–0.90) and resembled that of responses to electromagnetic vibration (ICCs = 0.64–0.94). Concurrent validity of the postural effect of pneumatic vibration was good to excellent (ICCs = 0.63–0.95). In conclusion, the proposed fMRI-compatible pneumatic vibrator can be used with confidence to stimulate muscle spindles during fMRI to study central processing of proprioception.

  13. Reliability of a Malay-translated questionnaire for use in a hand-arm vibration syndrome study in Malaysia.

    Science.gov (United States)

    Su, T A; Hoe, V C W

    2008-12-01

    Validity and reliability of the information relating to hand-transmitted vibration exposure and vibration-related health outcome are very important for case finding in hand-arm vibration syndrome (HAVS) studies. In a local HAVS study among a group of construction workers in Kuala Lumpur, Malaysia, a questionnaire translated into Malay was created based on the Hand-transmitted Vibration Health Surveillance--Initial Questionnaire and Clinical Assessment, from Vibration Injury Network. This study was conducted to determine the reliability of standardised questions in the questionnaire used in the study. 15 subjects were selected randomly from the sampling frame of the HAVS study. Test-retest reliability was conducted on all items contained in parts 1-6 of the questionnaire and clinical assessment form, with an interval of 13-14 days between the first and second administration. Kappa coefficient and percentage agreement were calculated for all standardised questions. The kappa coefficient and percentage agreement for all standardised questions varied from -0.174 to 1.000 and 66.7 to 100.0 percent, respectively. The kappa coefficient for important questions related to current vibratory tool usage, tingling, numbness and hand grip weakness were 0.714, 0.432, -0.077 and -0.120, respectively, while the percentage agreement for current vibratory tool usage, finger colour change, tingling, numbness and hand grip weakness were 85.7 percent, 92.8 percent, 79.5 percent, 85.7 percent and 71.4 percent, respectively. Intra-rater reliability on the extent of vibration exposure was good, with the intra-class correlation coefficient (95 percent confidence interval) ranging from 0.786 (0.334-0.931) to 0.975 (0.923-0.992). Critical questions on vascular, neurological and musculoskeletal symptoms of HAVS were found to be reliable. The history on the extent of vibration exposure revealed good reliability when explored by the investigator alone. This questionnaire is considered reliable

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

    International Nuclear Information System (INIS)

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

    2015-01-01

    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 2 Mo 3 O 8 , this approach allows direct assignment of the constrained rotational mode of Mo 3 O 13 clusters and internal modes of MoO 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

  15. Nuclear resonance vibrational spectroscopy applied to [Fe(OEP)(NO)]: the vibrational assignments of five-coordinate ferrous heme-nitrosyls and implications for electronic structure.

    Science.gov (United States)

    Lehnert, Nicolai; Galinato, Mary Grace I; Paulat, Florian; Richter-Addo, George B; Sturhahn, Wolfgang; Xu, Nan; Zhao, Jiyong

    2010-05-03

    This study presents Nuclear Resonance Vibrational Spectroscopy (NRVS) data on the five-coordinate (5C) ferrous heme-nitrosyl complex [Fe(OEP)(NO)] (1, OEP(2-) = octaethylporphyrinato dianion) and the corresponding (15)N(18)O labeled complex. The obtained spectra identify two isotope sensitive features at 522 and 388 cm(-1), which shift to 508 and 381 cm(-1), respectively, upon isotope labeling. These features are assigned to the Fe-NO stretch nu(Fe-NO) and the in-plane Fe-N-O bending mode delta(ip)(Fe-N-O), the latter has been unambiguously assigned for the first time for 1. The obtained NRVS data were simulated using our quantum chemistry centered normal coordinate analysis (QCC-NCA). Since complex 1 can potentially exist in 12 different conformations involving the FeNO and peripheral ethyl orientations, extended density functional theory (DFT) calculations and QCC-NCA simulations were performed to determine how these conformations affect the NRVS properties of [Fe(OEP)NO]. These results show that the properties and force constants of the FeNO unit are hardly affected by the conformational changes involving the ethyl substituents. On the other hand, the NRVS-active porphyrin-based vibrations around 340-360, 300-320, and 250-270 cm(-1) are sensitive to the conformational changes. The spectroscopic changes observed in these regions are due to selective mechanical couplings of one component of E(u)-type (in ideal D(4h) symmetry) porphyrin-based vibrations with the in-plane Fe-N-O bending mode. This leads to the observed variations in Fe(OEP) core mode energies and NRVS intensities without affecting the properties of the FeNO unit. The QCC-NCA simulated NRVS spectra of 1 show excellent agreement with experiment, and indicate that conformer F is likely present in the samples of this complex investigated here. The observed porphyrin-based vibrations in the NRVS spectra of 1 are also assigned based on the QCC-NCA results. The obtained force constants of the Fe-NO and N

  16. Monothiodibenzoylmethane: Structural and vibrational assignments

    DEFF Research Database (Denmark)

    Hansen, Bjarke Knud Vilster; Gorski, Alexander; Posokhov, Yevgen

    2007-01-01

    vibrational spectra were compared with theoretical transitions obtained with B3LYP/cc-pVTZ density functional theory (DFT). The results leave no doubt that the stable ground state configuration of TDBM corresponds to the intramolecularly hydrogen bonded enol form (e-CCC), and that the photoproduct corresponds...

  17. Design of Accelerated Reliability Test for CNC Motorized Spindle Based on Vibration Signal

    Directory of Open Access Journals (Sweden)

    Chen Chao

    2016-01-01

    Full Text Available Motorized spindle is the key functional component of CNC machining centers which is a mechatronics system with long life and high reliability. The reliability test cycle of motorized spindle is too long and infeasible. This paper proposes a new accelerated test for reliability evaluation of motorized spindle. By field reliability test, authors collect and calculate the load data including rotational speed, cutting force and torque. Load spectrum distribution law is analyzed. And authors design a test platform to apply the load spectrum. A new method to define the fuzzy acceleration factor based on the vibration signal is proposed. Then the whole test plan of accelerated reliability test is done.

  18. Franck-Condon fingerprinting of vibration-tunneling spectra.

    Science.gov (United States)

    Berrios, Eduardo; Sundaradevan, Praveen; Gruebele, Martin

    2013-08-15

    We introduce Franck-Condon fingerprinting as a method for assigning complex vibration-tunneling spectra. The B̃ state of thiophosgene (SCCl2) serves as our prototype. Despite several attempts, assignment of its excitation spectrum has proved difficult because of near-degenerate vibrational frequencies, Fermi resonance between the C-Cl stretching mode and the Cl-C-Cl bending mode, and large tunneling splittings due to the out-of-plane umbrella mode. Hence, the spectrum has never been fitted to an effective Hamiltonian. Our assignment approach replaces precise frequency information with intensity information, eliminating the need for double resonance spectroscopy or combination differences, neither of which have yielded a full assignment thus far. The dispersed fluorescence spectrum of each unknown vibration-tunneling state images its character onto known vibrational progressions in the ground state. By using this Franck-Condon fingerprint, we were able to determine the predominant character of several vibration-tunneling states and assign them; in other cases, the fingerprinting revealed that the states are strongly mixed and cannot be characterized with a simple normal mode assignment. The assigned transitions from vibration-tunneling wave functions that were not too strongly mixed could be fitted within measurement uncertainty by an effective vibration-tunneling Hamiltonian. A fit of all observed vibration-tunneling states will require a full resonance-tunneling Hamiltonian.

  19. A New Approach for Reliability Life Prediction of Rail Vehicle Axle by Considering Vibration Measurement

    Directory of Open Access Journals (Sweden)

    Meral Bayraktar

    2014-01-01

    Full Text Available The effect of vibration on the axle has been considered. Vibration measurements at different speeds have been performed on the axle of a running rail vehicle to figure out displacement, acceleration, time, and frequency response. Based on the experimental works, equivalent stress has been used to find out life of the axles for 90% and 10% reliability. Calculated life values of the rail vehicle axle have been compared with the real life data and it is found that the life of a vehicle axle taking into account the vibration effects is in good agreement with the real life of the axle.

  20. FT-IR, FT-Raman, NMR spectra, density functional computations of the vibrational assignments (for monomer and dimer) and molecular geometry of anticancer drug 7-amino-2-methylchromone

    Science.gov (United States)

    Mariappan, G.; Sundaraganesan, N.

    2014-04-01

    Vibrational assignments for the 7-amino-2-methylchromone (abbreviated as 7A2MC) molecule using a combination of experimental vibrational spectroscopic measurements and ab initio computational methods are reported. The optimized geometry, intermolecular hydrogen bonding, first order hyperpolarizability and harmonic vibrational wavenumbers of 7A2MC have been investigated with the help of B3LYP density functional theory method. The calculated molecular geometry parameters, the theoretically computed vibrational frequencies for monomer and dimer and relative peak intensities were compared with experimental data. DFT calculations using the B3LYP method and 6-31 + G(d,p) basis set were found to yield results that are very comparable to experimental IR and Raman spectra. Detailed vibrational assignments were performed with DFT calculations and the potential energy distribution (PED) obtained from the Vibrational Energy Distribution Analysis (VEDA) program. Natural Bond Orbital (NBO) study revealed the characteristics of the electronic delocalization of the molecular structure. 13C and 1H NMR spectra have been recorded and 13C and 1H nuclear magnetic resonance chemical shifts of the molecule have been calculated using the gauge independent atomic orbital (GIAO) method. Furthermore, All the possible calculated values are analyzed using correlation coefficients linear fitting equation and are shown strong correlation with the experimental data.

  1. Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of bromobenzene and its perdeuterated isotopologue: Assignment of the vibrations of the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states of bromobenzene and the S{sub 0} and D{sub 0}{sup +} states of iodobenzene

    Energy Technology Data Exchange (ETDEWEB)

    Andrejeva, Anna; Tuttle, William D.; Harris, Joe P.; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)

    2015-12-28

    We report vibrationally resolved spectra of the S{sub 1}←S{sub 0} transition of bromobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study bromobenzene-h{sub 5} as well as its perdeuterated isotopologue, bromobenzene-d{sub 5}. The form of the vibrational modes between the isotopologues and also between the S{sub 0} and S{sub 1} electronic states is discussed for each species, allowing assignment of the bands to be achieved and the activity between states and isotopologues to be established. Vibrational bands are assigned utilizing quantum chemical calculations, previous experimental results, and isotopic shifts. Previous work and assignments of the S{sub 1} spectra are discussed. Additionally, the vibrations in the ground state cation, D{sub 0}{sup +}, are considered, since these have also been used by previous workers in assigning the excited neutral state spectra. We also examine the vibrations of iodobenzene in the S{sub 0} and D{sub 0}{sup +} states and comment on the previous assignments of these. In summary, we have been able to assign the corresponding vibrations across the whole monohalobenzene series of molecules, in the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states, gaining insight into vibrational activity and vibrational couplings.

  2. Vibrational frequencies and structural investigation of (M(CN)4)2- (M Cd, Hg and Zn) ions

    International Nuclear Information System (INIS)

    Gurkan, Keshan; Tomas, Polivka; Cemal, Parlak; Mustafa, Shenyel

    2011-01-01

    The normal mode frequencies and corresponding vibrational assignments of tetracyanometallate (II) ions ([M(CN) 4 ] 2 -, M = Cd, Hg and Zn) have been theoretically examined by means of standard quantum chemical techniques. All normalmodes have been successfully assigned to one of six types of motion utilizing the T d symmetry of M(CN) 4 2 -. Calculations have been performed at the Becke-3-Lee-Yang-Parr (B3LYP) density functional method using the Lanl2dz effective core basis set. Furthermore, reliable vibrational assignments have been made on the basis of potential energy distribution (PED) calculated and the thermodynamics functions, highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) of the title ions have been predicted together with their infrared intensities and Raman activities. Theoretical results have been successfully compared against available experimental data

  3. Rate Adaptive Selective Segment Assignment for Reliable Wireless Video Transmission

    Directory of Open Access Journals (Sweden)

    Sajid Nazir

    2012-01-01

    Full Text Available A reliable video communication system is proposed based on data partitioning feature of H.264/AVC, used to create a layered stream, and LT codes for erasure protection. The proposed scheme termed rate adaptive selective segment assignment (RASSA is an adaptive low-complexity solution to varying channel conditions. The comparison of the results of the proposed scheme is also provided for slice-partitioned H.264/AVC data. Simulation results show competitiveness of the proposed scheme compared to optimized unequal and equal error protection solutions. The simulation results also demonstrate that a high visual quality video transmission can be maintained despite the adverse effect of varying channel conditions and the number of decoding failures can be reduced.

  4. Systematic review of reliability and diagnostic validity of joint vibration analysis for diagnosis of temporomandibular disorders.

    Science.gov (United States)

    Sharma, Sonia; Crow, Heidi C; McCall, W D; Gonzalez, Yoly M

    2013-01-01

    To conduct a systematic review of papers reporting the reliability and diagnostic validity of the joint vibration analysis (JVA) for diagnosis of temporomandibular disorders (TMD). A search of Pubmed identified English-language publications of the reliability and diagnostic validity of the JVA. Guidelines were adapted from applied STAndards for the Reporting of Diagnostic accuracy studies (STARD) to evaluate the publications. Fifteen publications were included in this review, each of which presented methodological limitations. This literature is unable to provide evidence to support the reliability and diagnostic validity of the JVA for diagnosis of TMD.

  5. Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis.

    Science.gov (United States)

    Tao, Yunwen; Tian, Chuan; Verma, Niraj; Zou, Wenli; Wang, Chao; Cremer, Dieter; Kraka, Elfi

    2018-05-08

    Normal vibrational modes are generally delocalized over the molecular system, which makes it difficult to assign certain vibrations to specific fragments or functional groups. We introduce a new approach, the Generalized Subsystem Vibrational Analysis (GSVA), to extract the intrinsic fragmental vibrations of any fragment/subsystem from the whole system via the evaluation of the corresponding effective Hessian matrix. The retention of the curvature information with regard to the potential energy surface for the effective Hessian matrix endows our approach with a concrete physical basis and enables the normal vibrational modes of different molecular systems to be legitimately comparable. Furthermore, the intrinsic fragmental vibrations act as a new link between the Konkoli-Cremer local vibrational modes and the normal vibrational modes.

  6. Vibrational assignments for the Raman and the phosphorescence spectra of 9,10-anthraquinone and 9,10-anthraquinone-d81

    International Nuclear Information System (INIS)

    Lehmann, K.K.; Smolarek, J.; Khalil, O.S.; Goodman, L.

    1979-01-01

    The Raman spectra of 9,10-anthraquinone (AQ) and 9,10-anthraquinone-d/sub 8/ are examined. Raman band assignments are made from this data and from a published normal coordinate analysis. The Raman spectra of AQ at 5K is reported and vibrational assignments for the phosphorescence spectra of AQ in n-hexane at 4.2 K are reexamined in light of new 3 B 1 /sub g/ → 1 A/sub g/ phosphorescence data. Contrary to previous work from this laboratory, it is concluded that although higher order vibronic interactions may be operative between the two closely spaced 3 A/sub u/- 3 B 1 /sub g/ electronic states, these interactions are not manifested in the phosphorescence spectra of AQ in n-hexane at 4.2 K

  7. Improved mechanical reliability of MEMS electret based vibration energy harvesters for automotive applications

    International Nuclear Information System (INIS)

    Renaud, M; Goedbloed, M; De Nooijer, C; Van Schaijk, R; Fujita, T

    2014-01-01

    Current commercial wireless tire pressure monitoring systems (TPMS) require a battery as electrical power source. The battery limits the lifetime of the TPMS. This limit can be circumvented by replacing the battery by a vibration energy harvester. Autonomous wireless TPMS powered by MEMS electret based vibration energy harvester have been demonstrated. A remaining technical challenge to attain the grade of commercial product with these autonomous TPMS is the mechanical reliability of the MEMS harvester. It should survive the harsh conditions imposed by the tire environment, particularly in terms of mechanical shocks. As shown in this article, our first generation of harvesters has a shock resilience of 400 g, which is far from being sufficient for the targeted application. In order to improve this aspect, several types of shock absorbing structures are investigated. With the best proposed solution, the shock resilience of the harvesters is brought above 2500 g

  8. THz absorption spectrum of the CO2–H2O complex: Observation and assignment of intermolecular van der Waals vibrations

    DEFF Research Database (Denmark)

    Andersen, Jonas; Heimdal, J.; Wallin Mahler Andersen, Denise

    2014-01-01

    have been assigned and provide crucial observables for benchmark theoretical descriptions of this systems’ flat intermolecular potential energy surface. A (semi)-empirical value for the zero-point energy of 273 ± 15 cm−1 from the class of intermolecular van der Waals vibrations is proposed...... and the combination with high-level quantum chemical calculations provides a value of 726 ± 15 cm−1 for the dissociation energy D0...

  9. Vibrational spectrum, ab initio calculations, conformational stabilities and assignment of fundamentals of 1,2-dibromopropane

    Science.gov (United States)

    LaPlante, Arthur J.; Stidham, Howard D.

    2009-10-01

    The mid and far infrared and the Raman spectrum of 1,2-dibromopropane is reported in solid, liquid and gas. Several bands reported by earlier workers are not present in the spectrum of the purified material. Ab initio calculations of optimized geometry, energy, dipole moment, molar volume, vibrational spectrum and normal coordinate calculation were performed using the density functional B3LYP/6-311++g(3df,2pd), and the results used to assist a complete assignment of the 81 fundamental modes of vibrations of the three conformers of 1,2-dibromopropane. Relative energies found conformer A the lowest with G and G' at 815.6 and 871.4 cm -1 higher. The temperature dependence of the Raman spectrum of the liquid was investigated in the CCC bending region and the relative energies determined. It was found that the G' and G conformers lie 236 ± 11 and 327 ±11 cm -1, respectively above the A conformer, leading to the room temperature composition of the liquid as A, 65 ± 1; G', 21 ± 1; G, 14 ± 1%. It is apparent that the calculated highest energy conformer G' is stabilized more than the G conformer in the liquid. The G' conformer has the lowest molar volume effectively changing the interaction distance between conformers in the liquid, and enhancing the effect of its dipole moment.

  10. A generic method for assignment of reliability scores applied to solvent accessibility predictions

    Directory of Open Access Journals (Sweden)

    Nielsen Morten

    2009-07-01

    Full Text Available Abstract Background Estimation of the reliability of specific real value predictions is nontrivial and the efficacy of this is often questionable. It is important to know if you can trust a given prediction and therefore the best methods associate a prediction with a reliability score or index. For discrete qualitative predictions, the reliability is conventionally estimated as the difference between output scores of selected classes. Such an approach is not feasible for methods that predict a biological feature as a single real value rather than a classification. As a solution to this challenge, we have implemented a method that predicts the relative surface accessibility of an amino acid and simultaneously predicts the reliability for each prediction, in the form of a Z-score. Results An ensemble of artificial neural networks has been trained on a set of experimentally solved protein structures to predict the relative exposure of the amino acids. The method assigns a reliability score to each surface accessibility prediction as an inherent part of the training process. This is in contrast to the most commonly used procedures where reliabilities are obtained by post-processing the output. Conclusion The performance of the neural networks was evaluated on a commonly used set of sequences known as the CB513 set. An overall Pearson's correlation coefficient of 0.72 was obtained, which is comparable to the performance of the currently best public available method, Real-SPINE. Both methods associate a reliability score with the individual predictions. However, our implementation of reliability scores in the form of a Z-score is shown to be the more informative measure for discriminating good predictions from bad ones in the entire range from completely buried to fully exposed amino acids. This is evident when comparing the Pearson's correlation coefficient for the upper 20% of predictions sorted according to reliability. For this subset, values of 0

  11. Reliability of vibration energy harvesters of metal-based PZT thin films

    Science.gov (United States)

    Tsujiura, Y.; Suwa, E.; Kurokawa, F.; Hida, H.; Kanno, I.

    2014-11-01

    This paper describes the reliability of piezoelectric vibration energy harvesters (PVEHs) of Pb(Zr,Ti)O3 (PZT) thin films on metal foil cantilevers. The PZT thin films were directly deposited onto the Pt-coated stainless-steel (SS430) cantilevers by rf-magnetron sputtering, and we observed their aging behavior of power generation characteristics under the resonance vibration condition for three days. During the aging measurement, there was neither fatigue failure nor degradation of dielectric properties in our PVEHs (length: 13 mm, width: 5.0 mm, thickness: 104 μm) even under a large excitation acceleration of 25 m/s2. However, we observed clear degradation of the generated electric voltage depending on excitation acceleration. The decay rate of the output voltage was 5% from the start of the measurement at 25 m/s2. The transverse piezoelectric coefficient (e31,f) also degraded with almost the same decay rate as that of the output voltage; this indicates that the degradation of output voltage was mainly caused by that of piezoelectric properties. From the decay curves, the output powers are estimated to degrade 7% at 15 m/s2 and 36% at 25 m/s2 if we continue to excite the PVEHs for 30 years.

  12. Reliability of vibration energy harvesters of metal-based PZT thin films

    International Nuclear Information System (INIS)

    Tsujiura, Y; Suwa, E; Kurokawa, F; Hida, H; Kanno, I

    2014-01-01

    This paper describes the reliability of piezoelectric vibration energy harvesters (PVEHs) of Pb(Zr,Ti)O 3 (PZT) thin films on metal foil cantilevers. The PZT thin films were directly deposited onto the Pt-coated stainless-steel (SS430) cantilevers by rf-magnetron sputtering, and we observed their aging behavior of power generation characteristics under the resonance vibration condition for three days. During the aging measurement, there was neither fatigue failure nor degradation of dielectric properties in our PVEHs (length: 13 mm, width: 5.0 mm, thickness: 104 μm) even under a large excitation acceleration of 25 m/s 2 . However, we observed clear degradation of the generated electric voltage depending on excitation acceleration. The decay rate of the output voltage was 5% from the start of the measurement at 25 m/s 2 . The transverse piezoelectric coefficient (e 31,f ) also degraded with almost the same decay rate as that of the output voltage; this indicates that the degradation of output voltage was mainly caused by that of piezoelectric properties. From the decay curves, the output powers are estimated to degrade 7% at 15 m/s 2 and 36% at 25 m/s 2 if we continue to excite the PVEHs for 30 years

  13. A computational perspective of vibrational and electronic analysis of potential photosensitizer 2-chlorothioxanthone

    Science.gov (United States)

    Ali, Narmeen; Mansha, Asim; Asim, Sadia; Zahoor, Ameer Fawad; Ghafoor, Sidra; Akbar, Muhammad Usman

    2018-03-01

    This paper deals with combined theoretical and experimental study of geometric, electronic and vibrational properties of 2-chlorothioxanthone (CTX) molecule which is potential photosensitizer. The FT-IR spectrum of CTX in solid phase was recorded in 4000-400 cm-1 region. The UV-Vis. absorption spectrum was also recorded in the laboratory as well as computed at DFT/B3LYP level in five different phases viz. gas, water, DMSO, acetone and ethanol. The quantum mechanics based theoretical IR and Raman spectra were also calculated for the title compound employing HF and DFT functional with 3-21G+, 6-31G+ and 6-311G+, 6-311G++ basis sets, respectively, and assignment of each vibrational frequency has been done on the basis of potential energy distribution (PED). A comparison has been made between theoretical and experimental vibrational spectra as well as for the UV-Vis. absorption spectra. The computed infra red & Raman spectra by DFT compared with experimental spectra along with reliable vibrational assignment based on PED. The calculated electronic properties, results of natural bonding orbital (NBO) analysis, charge distribution, dipole moment and energies have been reported in the paper. Bimolecular quenching of triplet state of CTX in the presence of triethylamine, 2-propanol triethylamine and diazobicyclooctane (DABCO) reflect the interactions between them. The bimolecular quenching rate constant is fastest for interaction of 3CTX in the presence of DABCO reflecting their stronger interactions.

  14. Vibrational spectra of ordered perovskites

    NARCIS (Netherlands)

    Corsmit, A.F.; Hoefdraad, H.E.; Blasse, G.

    1972-01-01

    The vibrational spectra of the molecular M6+O6 (M = Mo, Te, W) group in ordered perovskites of the type Ba2M2+M6+O6 are reported. These groups have symmetry Oh, whereas their site symmetry is also Oh. An assignment of the internal vibrations is presented.

  15. The efficacy of airflow and seat vibration on reducing visually induced motion sickness.

    Science.gov (United States)

    D'Amour, Sarah; Bos, Jelte E; Keshavarz, Behrang

    2017-09-01

    Visually induced motion sickness (VIMS) is a well-known sensation in virtual environments and simulators, typically characterized by a variety of symptoms such as pallor, sweating, dizziness, fatigue, and/or nausea. Numerous methods to reduce VIMS have been previously introduced; however, a reliable countermeasure is still missing. In the present study, the effect of airflow and seat vibration to alleviate VIMS was investigated. Eighty-two participants were randomly assigned to one of four groups (airflow, vibration, combined airflow and vibration, and control) and then exposed to a 15 min long video of a bicycle ride shot from first-person view. VIMS was measured using the Fast Motion Sickness Scale (FMS) and the Simulator Sickness Questionnaire (SSQ). Results showed that the exposure of airflow significantly reduced VIMS, whereas the presence of seat vibration, in contrast, did not have an impact on VIMS. Additionally, we found that females reported higher FMS scores than males, however, this sex difference was not found in the SSQ scores. Our findings demonstrate that airflow can be an effective and easy-to-apply technique to reduce VIMS in virtual environments and simulators, while vibration applied to the seat is not a successful method.

  16. Vibration analysis and vibration damage assessment in nuclear and process equipment

    International Nuclear Information System (INIS)

    Pettigrew, M.J.; Taylor, C.E.; Fisher, N.J.; Yetisir, M.; Smith, B.A.W.

    1997-01-01

    Component failures due to excessive flow-induced vibration are still affecting the performance and reliability of process and nuclear components. The purpose of this paper is to discuss flow-induced vibration analysis and vibration damage prediction. Vibration excitation mechanisms are described with particular emphasis on fluid elastic instability. The dynamic characteristics of process and power equipment are explained. The statistical nature of some parameters, in particular support conditions, is discussed. The prediction of fretting-wear damage is approached from several points-of-view. An energy approach to formulate fretting-wear damage is proposed. (author)

  17. Conformational and vibrational reassessment of solid paracetamol

    Science.gov (United States)

    Amado, Ana M.; Azevedo, Celeste; Ribeiro-Claro, Paulo J. A.

    2017-08-01

    This work provides an answer to the urge for a more detailed and accurate knowledge of the vibrational spectrum of the widely used analgesic/antipyretic drug commonly known as paracetamol. A comprehensive spectroscopic analysis - including infrared, Raman, and inelastic neutron scattering (INS) - is combined with a computational approach which takes account for the effects of intermolecular interactions in the solid state. This allows a full reassessment of the vibrational assignments for Paracetamol, thus preventing the propagation of incorrect data analysis and misassignments already found in the literature. In particular, the vibrational modes involving the hydrogen-bonded Nsbnd H and Osbnd H groups are correctly reallocated to bands shifted by up to 300 cm- 1 relatively to previous assignments.

  18. Vibrational properties of organic donor-acceptor molecular crystals: Anthracene-pyromellitic-dianhydride (PMDA) as a case study

    KAUST Repository

    Fonari, A.; Corbin, N. S.; Vermeulen, D.; Goetz, K. P.; Jurchescu, O. D.; McNeil, L. E.; Bredas, Jean-Luc; Coropceanu, V.

    2015-01-01

    We establish a reliable quantum-mechanical approach to evaluate the vibrational properties of donor-acceptor molecular crystals. The anthracene-PMDA (PMDA = pyromellitic dianhydride) crystal, where anthracene acts as the electron donor and PMDA as the electron acceptor, is taken as a representative system for which experimental non-resonance Raman spectra are also reported. We first investigate the impact that the amount of nonlocal Hartree-Fock exchange (HFE) included in a hybrid density functional has on the geometry, normal vibrational modes, electronic coupling, and electron-vibrational (phonon) couplings. The comparison between experimental and theoreticalRaman spectra indicates that the results based on the αPBE functional with 25%-35% HFE are in better agreement with the experimental results compared to those obtained with the pure PBE functional. Then, taking αPBE with 25% HFE, we assign the vibrational modes and examine their contributions to the relaxation energy related to the nonlocal electron-vibration interactions. The results show that the largest contribution (about 90%) is due to electron interactions with low-frequency vibrational modes. The relaxation energy in anthracene-PMDA is found to be about five times smaller than the electronic coupling.

  19. Vibrational properties of organic donor-acceptor molecular crystals: Anthracene-pyromellitic-dianhydride (PMDA) as a case study

    KAUST Repository

    Fonari, A.

    2015-12-10

    We establish a reliable quantum-mechanical approach to evaluate the vibrational properties of donor-acceptor molecular crystals. The anthracene-PMDA (PMDA = pyromellitic dianhydride) crystal, where anthracene acts as the electron donor and PMDA as the electron acceptor, is taken as a representative system for which experimental non-resonance Raman spectra are also reported. We first investigate the impact that the amount of nonlocal Hartree-Fock exchange (HFE) included in a hybrid density functional has on the geometry, normal vibrational modes, electronic coupling, and electron-vibrational (phonon) couplings. The comparison between experimental and theoreticalRaman spectra indicates that the results based on the αPBE functional with 25%-35% HFE are in better agreement with the experimental results compared to those obtained with the pure PBE functional. Then, taking αPBE with 25% HFE, we assign the vibrational modes and examine their contributions to the relaxation energy related to the nonlocal electron-vibration interactions. The results show that the largest contribution (about 90%) is due to electron interactions with low-frequency vibrational modes. The relaxation energy in anthracene-PMDA is found to be about five times smaller than the electronic coupling.

  20. Preliminary study for the reliability Assurance on results and procedure of the out-pile mechanical characterization test for a fuel assembly; Lateral Vibration Test (I)

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kang Hee; Yoon, Kyung Hee; Kim, Hyung Kyu [KAERI, Daejeon (Korea, Republic of)

    2007-07-01

    The reliability assurance with respect to the test procedure and results of the out-pile mechanical performance test for the nuclear fuel assembly is an essential task to assure the test quality and to get a permission for fuel loading into the commercial reactor core. For the case of vibration test, proper management and appropriate calibration of instruments and devices used in the test, various efforts to minimize the possible error during the test and signal acquisition process are needed. Additionally, the deep understanding both of the theoretical assumption and simplification for the signal processing/modal analysis and of the functions of the devices used in the test were highly required. In this study, the overall procedure and result of lateral vibration test were assembly's mechanical characterization were briefly introduced. A series of measures to assure and improve the reliability of the vibration test were discussed.

  1. Preliminary study for the reliability Assurance on results and procedure of the out-pile mechanical characterization test for a fuel assembly; Lateral Vibration Test (I)

    International Nuclear Information System (INIS)

    Lee, Kang Hee; Yoon, Kyung Hee; Kim, Hyung Kyu

    2007-01-01

    The reliability assurance with respect to the test procedure and results of the out-pile mechanical performance test for the nuclear fuel assembly is an essential task to assure the test quality and to get a permission for fuel loading into the commercial reactor core. For the case of vibration test, proper management and appropriate calibration of instruments and devices used in the test, various efforts to minimize the possible error during the test and signal acquisition process are needed. Additionally, the deep understanding both of the theoretical assumption and simplification for the signal processing/modal analysis and of the functions of the devices used in the test were highly required. In this study, the overall procedure and result of lateral vibration test were assembly's mechanical characterization were briefly introduced. A series of measures to assure and improve the reliability of the vibration test were discussed

  2. Shock reliability analysis and improvement of MEMS electret-based vibration energy harvesters

    International Nuclear Information System (INIS)

    Renaud, M; Goedbloed, M; De Nooijer, C; Van Schaijk, R; Fujita, T

    2015-01-01

    Vibration energy harvesters can serve as a replacement solution to batteries for powering tire pressure monitoring systems (TPMS). Autonomous wireless TPMS powered by microelectromechanical system (MEMS) electret-based vibration energy harvester have been demonstrated. The mechanical reliability of the MEMS harvester still has to be assessed in order to bring the harvester to the requirements of the consumer market. It should survive the mechanical shocks occurring in the tire environment. A testing procedure to quantify the shock resilience of harvesters is described in this article. Our first generation of harvesters has a shock resilience of 400 g, which is far from being sufficient for the targeted application. In order to improve this aspect, the first important aspect is to understand the failure mechanism. Failure is found to occur in the form of fracture of the device’s springs. It results from impacts between the anchors of the springs when the harvester undergoes a shock. The shock resilience of the harvesters can be improved by redirecting these impacts to nonvital parts of the device. With this philosophy in mind, we design three types of shock absorbing structures and test their effect on the shock resilience of our MEMS harvesters. The solution leading to the best results consists of rigid silicon stoppers covered by a layer of Parylene. The shock resilience of the harvesters is brought above 2500 g. Results in the same range are also obtained with flexible silicon bumpers, which are simpler to manufacture. (paper)

  3. Shock reliability analysis and improvement of MEMS electret-based vibration energy harvesters

    Science.gov (United States)

    Renaud, M.; Fujita, T.; Goedbloed, M.; de Nooijer, C.; van Schaijk, R.

    2015-10-01

    Vibration energy harvesters can serve as a replacement solution to batteries for powering tire pressure monitoring systems (TPMS). Autonomous wireless TPMS powered by microelectromechanical system (MEMS) electret-based vibration energy harvester have been demonstrated. The mechanical reliability of the MEMS harvester still has to be assessed in order to bring the harvester to the requirements of the consumer market. It should survive the mechanical shocks occurring in the tire environment. A testing procedure to quantify the shock resilience of harvesters is described in this article. Our first generation of harvesters has a shock resilience of 400 g, which is far from being sufficient for the targeted application. In order to improve this aspect, the first important aspect is to understand the failure mechanism. Failure is found to occur in the form of fracture of the device’s springs. It results from impacts between the anchors of the springs when the harvester undergoes a shock. The shock resilience of the harvesters can be improved by redirecting these impacts to nonvital parts of the device. With this philosophy in mind, we design three types of shock absorbing structures and test their effect on the shock resilience of our MEMS harvesters. The solution leading to the best results consists of rigid silicon stoppers covered by a layer of Parylene. The shock resilience of the harvesters is brought above 2500 g. Results in the same range are also obtained with flexible silicon bumpers, which are simpler to manufacture.

  4. Vibrational Spectral Studies of Gemfibrozil

    Science.gov (United States)

    Benitta, T. Asenath; Balendiran, G. K.; James, C.

    2008-11-01

    The Fourier Transform Raman and infrared spectra of the crystallized drug molecule 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid (Gemfibrozil) have been recorded and analyzed. Quantum chemical computational methods have been employed using Gaussian 03 software package based on Hartree Fock method for theoretically modeling the grown molecule. The optimized geometry and vibrational frequencies have been predicted. Observed vibrational modes have been assigned with the aid of normal coordinate analysis.

  5. A complete assignment of the vibrational spectra of 2-furoic acid based on the structures of the more stable monomer and dimer

    Science.gov (United States)

    Ghalla, Houcine; Issaoui, Noureddine; Castillo, María Victoria; Brandán, Silvia Antonia; Flakus, Henryk T.

    2014-03-01

    The structural and vibrational properties of cyclic dimer of 2-furoic acid (2FA) were predicted by combining the available experimental infrared and Raman spectra in the solid phase and ab initio calculations based on density functional theory (DFT) with Pople's basis sets. The calculations show that there are two cyclic dimers for the title molecule that have been theoretically determined in the gas phase, and that only one of them, cis conformer, is present in the solid phase. The complete assignment of the 66 normal vibrational modes for the cis cyclic dimer was performed using the Pulay's Scaled Quantum Mechanics Force Field (SQMFF) methodology. Four strong bands in the infrared spectrum at 1583, 1427, 1126 and 887 cm-1 and the group of bands in the Raman spectrum at 1464, 1452, 1147, 1030, 885, 873, 848, 715 and 590 cm-1 are characteristic of the dimeric form of 2FA in the solid phase. In this work, the calculated structural and vibrational properties of both dimeric species were analyzed and compared between them. In addition, three types of atomic charges, bond orders, possible charge transfer, topological properties of the furan rings, Natural Bond Orbital (NBO) and Atoms in Molecules (AIM) theory calculations were employed to study the stabilities and intermolecular interactions of the both dimers of 2FA.

  6. Optical fiber grating vibration sensor for vibration monitoring of hydraulic pump

    Science.gov (United States)

    Zhang, Zhengyi; Liu, Chuntong; Li, Hongcai; He, Zhenxin; Zhao, Xiaofeng

    2017-06-01

    In view of the existing electrical vibration monitoring traditional hydraulic pump vibration sensor, the high false alarm rate is susceptible to electromagnetic interference and is not easy to achieve long-term reliable monitoring, based on the design of a beam of the uniform strength structure of the fiber Bragg grating (FBG) vibration sensor. In this paper, based on the analysis of the vibration theory of the equal strength beam, the principle of FBG vibration tuning based on the equal intensity beam is derived. According to the practical application of the project, the structural dimensions of the equal strength beam are determined, and the optimization design of the vibrator is carried out. The finite element analysis of the sensor is carried out by ANSYS, and the first order resonant frequency is 94.739 Hz. The vibration test of the sensor is carried out by using the vibration frequency of 35 Hz and the vibration source of 50 Hz. The time domain and frequency domain analysis results of test data show that the sensor has good dynamic response characteristics, which can realize the accurate monitoring of the vibration frequency and meet the special requirements of vibration monitoring of hydraulic pump under specific environment.

  7. Vibration of hydraulic machinery

    CERN Document Server

    Wu, Yulin; Liu, Shuhong; Dou, Hua-Shu; Qian, Zhongdong

    2013-01-01

    Vibration of Hydraulic Machinery deals with the vibration problem which has significant influence on the safety and reliable operation of hydraulic machinery. It provides new achievements and the latest developments in these areas, even in the basic areas of this subject. The present book covers the fundamentals of mechanical vibration and rotordynamics as well as their main numerical models and analysis methods for the vibration prediction. The mechanical and hydraulic excitations to the vibration are analyzed, and the pressure fluctuations induced by the unsteady turbulent flow is predicted in order to obtain the unsteady loads. This book also discusses the loads, constraint conditions and the elastic and damping characters of the mechanical system, the structure dynamic analysis, the rotor dynamic analysis and the system instability of hydraulic machines, including the illustration of monitoring system for the instability and the vibration in hydraulic units. All the problems are necessary for vibration pr...

  8. Vibrations of bioionic liquids by ab initio molecular dynamics and vibrational spectroscopy.

    Science.gov (United States)

    Tanzi, Luana; Benassi, Paola; Nardone, Michele; Ramondo, Fabio

    2014-12-26

    Density functional theory and vibrational spectroscopy are used to investigate a class of bioionic liquids consisting of a choline cation and carboxylate anions. Through quantum mechanical studies of motionless ion pairs and molecular dynamics of small portions of the liquid, we have characterized important structural features of the ionic liquid. Hydrogen bonding produces stable ion pairs in the liquid and induces vibrational features of the carboxylate groups comparable with experimental results. Infrared and Raman spectra of liquids have been measured, and main bands have been assigned on the basis of theoretical spectra.

  9. Enantiomeric Mixtures in Natural Product Chemistry: Separation and Absolute Configuration Assignment.

    Science.gov (United States)

    N L Batista, Andrea; M Dos Santos, Fernando; Batista, João M; Cass, Quezia B

    2018-02-23

    Chiral natural product molecules are generally assumed to be biosynthesized in an enantiomerically pure or enriched fashion. Nevertheless, a significant amount of racemates or enantiomerically enriched mixtures has been reported from natural sources. This number is estimated to be even larger since the enantiomeric purity of secondary metabolites is rarely checked in the natural product isolation pipeline. This latter fact may have drastic effects on the evaluation of the biological activity of chiral natural products. A second bottleneck is the determination of their absolute configurations. Despite the widespread use of optical rotation and electronic circular dichroism, most of the stereochemical assignments are based on empirical correlations with similar compounds reported in the literature. As an alternative, the combination of vibrational circular dichroism and quantum chemical calculations has emerged as a powerful and reliable tool for both conformational and configurational analysis of natural products, even for those lacking UV-Vis chromophores. In this review, we aim to provide the reader with a critical overview of the occurrence of enantiomeric mixtures of secondary metabolites in nature as well the best practices for their detection, enantioselective separation using liquid chromatography, and determination of absolute configuration by means of vibrational circular dichroism and density functional theory calculations.

  10. Vibrational spectra and normal co-ordinate analysis of 2-aminopyridine and 2-amino picoline.

    Science.gov (United States)

    Jose, Sujin P; Mohan, S

    2006-05-01

    The Fourier transform infrared (FT-IR) and Raman (FT-R) spectra of 2-aminopyridine and 2-amino picoline were recorded and the observed frequencies were assigned to various modes of vibration in terms of fundamentals by assuming Cs point group symmetry. A normal co-ordinate analysis was also carried out for the proper assignment of the vibrational frequencies using simple valence force field. A complete vibrational analysis is presented here for the molecules and the results are briefly discussed.

  11. Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO-LUMO analysis and molecular docking study of 1-hydroxy-4,5,8-tris(4-methoxyphenyl) anthraquinone

    Science.gov (United States)

    Renjith, R.; Sheena Mary, Y.; Tresa Varghese, Hema; Yohannan Panicker, C.; Thiemann, Thies; Shereef, Anas; Al-Saadi, Abdulaziz A.

    2015-12-01

    FT-IR and FT-Raman spectra of 1-hydroxy-4,5,8-tris(4-methoxyphenyl)anthraquinone were recorded and analyzed. The vibrational wavenumbers were computed using DFT quantum chemical calculations. The data obtained from wavenumber calculations were used to assign the vibrational bands obtained experimentally. A detailed molecular picture of the title compound and its interactions were obtained from NBO analysis. From the MEP plot it is clear that the negative electrostatic potential regions are mainly localized over carbonyl group. There is some evidence of a region of negative electrostatic potential due to π-electron density of the benzo groups. Molecular docking study shows that methoxy groups attached to the phenyl rings and hydroxyl group are crucial for binding and the title compound might exhibit inhibitory activity against PI3K and may act as an anti-neoplastic agent.

  12. Research of vibration controlling based on programmable logic controller for electrostatic precipitator

    International Nuclear Information System (INIS)

    Zhang, Zisheng; Li, Yanhu; Li, Jiaojiao; Liu, Zhiqiang; Li, Qing

    2013-01-01

    In order to improve the reliability, stability and automation of electrostatic precipitator, circuits of vibration motor for ESP and vibration control ladder diagram program are investigated using Schneider PLC with high performance and programming software of Twidosoft. Operational results show that after adopting PLC, vibration motor can run automatically; compared with traditional control system of vibration based on single-chip microcomputer, it has higher reliability, better stability and higher dust removal rate, when dust emission concentrations ≤ 50 mg m −3 , providing a new method for vibration controlling of ESP.

  13. Vibrational Spectroscopic Studies of Tenofovir Using Density Functional Theory Method

    Directory of Open Access Journals (Sweden)

    G. R. Ramkumaar

    2013-01-01

    Full Text Available A systematic vibrational spectroscopic assignment and analysis of tenofovir has been carried out by using FTIR and FT-Raman spectral data. The vibrational analysis was aided by electronic structure calculations—hybrid density functional methods (B3LYP/6-311++G(d,p, B3LYP/6-31G(d,p, and B3PW91/6-31G(d,p. Molecular equilibrium geometries, electronic energies, IR intensities, and harmonic vibrational frequencies have been computed. The assignments proposed based on the experimental IR and Raman spectra have been reviewed and complete assignment of the observed spectra have been proposed. UV-visible spectrum of the compound was also recorded and the electronic properties such as HOMO and LUMO energies and were determined by time-dependent DFT (TD-DFT method. The geometrical, thermodynamical parameters, and absorption wavelengths were compared with the experimental data. The B3LYP/6-311++G(d,p-, B3LYP/6-31G(d,p-, and B3PW91/6-31G(d,p-based NMR calculation procedure was also done. It was used to assign the 13C and 1H NMR chemical shift of tenofovir.

  14. Molecular Geometry And Vibrational Spectra of 2'-chloroacetanilide

    International Nuclear Information System (INIS)

    Gokce, H.

    2008-01-01

    The molecular structure, vibrational frequencies and the corresponding vibrational assingments of 2'-chloroacetanilide in the ground state have been calculated by using Hartree-Fock (HF) and Density Functional Theory (DFT/B3LYP) methods with 6-311++G(d,p) basis set. The obtained vibrational frequencies and optimized geometric parameters (bond lenghts and angles) are in very good agreement with the experimental data. The comparison of the observed and calculated vibrational frequencies assignments of 2'-chloroacetanilide exhibit that the scaled DFT/B3LYP method is superior to be scaled HF method. Furthermore the calculated Infrared and Raman intensities are also reported

  15. Vibrational and electronic spectroscopic studies of melatonin

    Science.gov (United States)

    Singh, Gurpreet; Abbas, J. M.; Dogra, Sukh Dev; Sachdeva, Ritika; Rai, Bimal; Tripathi, S. K.; Prakash, Satya; Sathe, Vasant; Saini, G. S. S.

    2014-01-01

    We report the infrared absorption and Raman spectra of melatonin recorded with 488 and 632.8 nm excitations in 3600-2700 and 1700-70 cm-1 regions. Further, we optimized molecular structure of the three conformers of melatonin within density functional theory calculations. Vibrational frequencies of all three conformers have also been calculated. Observed vibrational bands have been assigned to different vibrational motions of the molecules on the basis of potential energy distribution calculations and calculated vibrational frequencies. Observed band positions match well with the calculated values after scaling except Nsbnd H stretching mode frequencies. It is found that the observed and calculated frequencies mismatch of Nsbnd H stretching is due to intermolecular interactions between melatonin molecules.

  16. Vibration Analysis of Beam and Block Precast Slab System due to Human Vibrations

    Science.gov (United States)

    Chik, T. N. T.; Kamil, M. R. H.; Yusoff, N. A.

    2018-04-01

    Beam and block precast slabs system are very efficient which generally give maximum structural performance where their voids based on the design of the unit soffit block allow a significant reduction of the whole slab self-weight. Initially for some combinations of components or the joint connection of the structural slab, this structural system may be susceptible to excessive vibrations that could effects the performance and also serviceability. Dynamic forces are excited from people walking and jumping which produced vibrations to the slab system in the buildings. Few studies concluded that human induced vibration on precast slabs system may be harmful to structural performance and mitigate the human comfort level. This study will investigate the vibration analysis of beam and block precast slab by using finite element method at the school building. Human activities which are excited from jumping and walking will induce the vibrations signal to the building. Laser Doppler Vibrometer (LDV) was used to measure the dynamic responses of slab towards the vibration sources. Five different points were assigned specifically where each of location will determine the behaviour of the entire slabs. The finite element analyses were developed in ABAQUS software and the data was further processed in MATLAB ModalV to assess the vibration criteria. The results indicated that the beam and block precast systems adequate enough to the vibration serviceability and human comfort criteria. The overall vibration level obtained was fell under VC-E curve which it is generally under the maximum permissible level of vibrations. The vibration level on the slab is acceptable within the limit that have been used by Gordon.

  17. A vibration sieve

    Energy Technology Data Exchange (ETDEWEB)

    Alekhin, S.A.; Denisenko, V.V.; Dzhalalov, M.G.; Kirichek, F.P.; Pitatel, Yu.A.; Prokopov, L.I.; Tikhonov, Yu.P.

    1982-01-01

    A vibration sieve is proposed which includes a vibration drive, a body and a screen installed on shock absorbers, a device for washing out the screen, and a subassembly for loading the material. To increase the operational reliability and effectiveness of the vibration sieve by improving the cleaning of the screen, the loading subassembly is equipped with a baffle with a lever which is hinged to it. The device for washing out the screen is made in the form of an electromagnet with a connecting rod, a switch and an eccentric, a friction ratchet mechanism and sprinkling systems. Here, the latter are interconnected, using a connecting rod, while the sprinkling system is installed on rollers under the screen. The electromagnetic switch is installed under the lever. The body is made with grooves for installing the sprinkling system. The vibration sieve is equipped with a switch which interacts with the connecting rod. The friction ratchet mechanism is equipped with a lug.

  18. Application of Vibration and Oil Analysis for Reliability Information on Helicopter Main Rotor Gearbox

    Science.gov (United States)

    Murrad, Muhamad; Leong, M. Salman

    Based on the experiences of the Malaysian Armed Forces (MAF), failure of the main rotor gearbox (MRGB) was one of the major contributing factors to helicopter breakdowns. Even though vibration and oil analysis are the effective techniques for monitoring the health of helicopter components, these two techniques were rarely combined to form an effective assessment tool in MAF. Results of the oil analysis were often used only for oil changing schedule while assessments of MRGB condition were mainly based on overall vibration readings. A study group was formed and given a mandate to improve the maintenance strategy of S61-A4 helicopter fleet in the MAF. The improvement consisted of a structured approach to the reassessment/redefinition suitable maintenance actions that should be taken for the MRGB. Basic and enhanced tools for condition monitoring (CM) are investigated to address the predominant failures of the MRGB. Quantitative accelerated life testing (QALT) was considered in this work with an intent to obtain the required reliability information in a shorter time with tests under normal stress conditions. These tests when performed correctly can provide valuable information about MRGB performance under normal operating conditions which enable maintenance personnel to make decision more quickly, accurately and economically. The time-to-failure and probability of failure information of the MRGB were generated by applying QALT analysis principles. This study is anticipated to make a dramatic change in its approach to CM, bringing significant savings and various benefits to MAF.

  19. Shock and vibration effects on performance reliability and mechanical integrity of proton exchange membrane fuel cells: A critical review and discussion

    Science.gov (United States)

    Haji Hosseinloo, Ashkan; Ehteshami, Mohsen Mousavi

    2017-10-01

    Performance reliability and mechanical integrity are the main bottlenecks in mass commercialization of PEMFCs for applications with inherent harsh environment such as automotive and aerospace applications. Imparted shock and vibration to the fuel cell in such applications could bring about numerous issues including clamping torque loosening, gas leakage, increased electrical resistance, and structural damage and breakage. Here, we provide a comprehensive review and critique of the literature focusing on the effects of mechanically harsh environment on PEMFCs, and at the end, we suggest two main future directions in FC technology research that need immediate attention: (i) developing a generic and adequately accurate dynamic model of PEMFCs to assess the dynamic response of FC devices, and (ii) designing effective and robust shock and vibration protection systems based on the developed models in (i).

  20. Random vibrations theory and practice

    CERN Document Server

    Wirsching, Paul H; Ortiz, Keith

    1995-01-01

    Random Vibrations: Theory and Practice covers the theory and analysis of mechanical and structural systems undergoing random oscillations due to any number of phenomena— from engine noise, turbulent flow, and acoustic noise to wind, ocean waves, earthquakes, and rough pavement. For systems operating in such environments, a random vibration analysis is essential to the safety and reliability of the system. By far the most comprehensive text available on random vibrations, Random Vibrations: Theory and Practice is designed for readers who are new to the subject as well as those who are familiar with the fundamentals and wish to study a particular topic or use the text as an authoritative reference. It is divided into three major sections: fundamental background, random vibration development and applications to design, and random signal analysis. Introductory chapters cover topics in probability, statistics, and random processes that prepare the reader for the development of the theory of random vibrations a...

  1. Modeling Optimal Scheduling for Pumping System to Minimize Operation Cost and Enhance Operation Reliability

    Directory of Open Access Journals (Sweden)

    Yin Luo

    2012-01-01

    Full Text Available Traditional pump scheduling models neglect the operation reliability which directly relates with the unscheduled maintenance cost and the wear cost during the operation. Just for this, based on the assumption that the vibration directly relates with the operation reliability and the degree of wear, it could express the operation reliability as the normalization of the vibration level. The characteristic of the vibration with the operation point was studied, it could be concluded that idealized flow versus vibration plot should be a distinct bathtub shape. There is a narrow sweet spot (80 to 100 percent BEP to obtain low vibration levels in this shape, and the vibration also follows similar law with the square of the rotation speed without resonance phenomena. Then, the operation reliability could be modeled as the function of the capacity and rotation speed of the pump and add this function to the traditional model to form the new. And contrast with the tradition method, the result shown that the new model could fix the result produced by the traditional, make the pump operate in low vibration, then the operation reliability could increase and the maintenance cost could decrease.

  2. Smart accelerometer. [vibration damage detection

    Science.gov (United States)

    Bozeman, Richard J., Jr. (Inventor)

    1994-01-01

    The invention discloses methods and apparatus for detecting vibrations from machines which indicate an impending malfunction for the purpose of preventing additional damage and allowing for an orderly shutdown or a change in mode of operation. The method and apparatus is especially suited for reliable operation in providing thruster control data concerning unstable vibration in an electrical environment which is typically noisy and in which unrecognized ground loops may exist.

  3. 76 FR 16240 - Mandatory Reliability Standards for Interconnection Reliability Operating Limits

    Science.gov (United States)

    2011-03-23

    ... identified by the Commission. \\5\\ Mandatory Reliability Standards for the Bulk-Power System, Order No. 693... reliability of the interconnection by ensuring that the bulk electric system is assessed during the operations... responsibility for SOLs. Further, Bulk-Power System reliability practices assign responsibilities for analyzing...

  4. Vibrational spectra of double oxides of calcium and indium

    International Nuclear Information System (INIS)

    Porotnikov, N.V.; Kondratov, O.I.; Petrov, K.I.; Olikov, I.I.

    1980-01-01

    Vibrational spectra of Ca 40 In 2 O 4 and Ca 44 In 2 O 4 dioxides have been studied. Calculations of a theoretical vibrational spectrum of isotope-substituted compounds have been carried out in the approximation of polymer chains of the valence-force field method. The assignment of experimental spectra is proposed. The force field of crystals is evaluated [ru

  5. Comparative analysis of the vibrational structure of the absorption spectra of acrolein in the excited ( S 1) electronic state

    Science.gov (United States)

    Koroleva, L. A.; Tyulin, V. I.; Matveev, V. K.; Pentin, Yu. A.

    2012-04-01

    The assignments of absorption bands of the vibrational structure of the UV spectrum are compared with the assignments of bands obtained by the CRDS method in a supersonic jet from the time of laser radiation damping for the trans isomer of acrolein in the excited ( S 1) electronic state. The ν00 trans = 25861 cm-1 values and fundamental frequencies, including torsional vibration frequency, obtained by the two methods were found to coincide in the excited electronic state ( S 1) for this isomer. The assignments of several absorption bands of the vibrational structure of the spectrum obtained by the CRDS method were changed. Changes in the assignment of (0-v') transition bands of the torsional vibration of the trans isomer in the Deslandres table from the ν00 trans trans origin allowed the table to be extended to high quantum numbers v'. The torsional vibration frequencies up to v' = 5 were found to be close to the frequencies found by analyzing the vibrational structure of the UV spectrum and calculated quantum-mechanically. The coincidence of the barrier to internal rotation (the cis-trans transition) in the one-dimensional model with that calculated quantum-mechanically using the two-dimensional model corresponds to a planar structure of the acrolein molecule in the excited ( S 1) electronic state.

  6. Molecular Origin of the Vibrational Structure of Ice Ih.

    Science.gov (United States)

    Moberg, Daniel R; Straight, Shelby C; Knight, Christopher; Paesani, Francesco

    2017-06-15

    An unambiguous assignment of the vibrational spectra of ice I h remains a matter of debate. This study demonstrates that an accurate representation of many-body interactions between water molecules, combined with an explicit treatment of nuclear quantum effects through many-body molecular dynamics (MB-MD), leads to a unified interpretation of the vibrational spectra of ice I h in terms of the structure and dynamics of the underlying hydrogen-bond network. All features of the infrared and Raman spectra in the OH stretching region can be unambiguously assigned by taking into account both the symmetry and the delocalized nature of the lattice vibrations as well as the local electrostatic environment experienced by each water molecule within the crystal. The high level of agreement with experiment raises prospects for predictive MB-MD simulations that, complementing analogous measurements, will provide molecular-level insights into fundamental processes taking place in bulk ice and on ice surfaces under different thermodynamic conditions.

  7. Vibrational spectroscopic study of fluticasone propionate

    Science.gov (United States)

    Ali, H. R. H.; Edwards, H. G. M.; Kendrick, J.; Scowen, I. J.

    2009-03-01

    Fluticasone propionate is a synthetic glucocorticoid with potent anti-inflammatory activity that has been used effectively in the treatment of chronic asthma. The present work reports a vibrational spectroscopic study of fluticasone propionate and gives proposed molecular assignments on the basis of ab initio calculations using BLYP density functional theory with a 6-31G* basis set and vibrational frequencies predicted within the quasi-harmonic approximation. Several spectral features and band intensities are explained. This study generated a library of information that can be employed to aid the process monitoring of fluticasone propionate.

  8. Interface Assignment-Based AODV Routing Protocol to Improve Reliability in Multi-Interface Multichannel Wireless Mesh Networks

    Directory of Open Access Journals (Sweden)

    Won-Suk Kim

    2015-01-01

    Full Text Available The utilization of wireless mesh networks (WMNs has greatly increased, and the multi-interface multichannel (MIMC technic has been widely used for the backbone network. Unfortunately, the ad hoc on-demand distance vector (AODV routing protocol defined in the IEEE 802.11s standard was designed for WMNs using the single-interface single-channel technic. So, we define a problem that happens when the legacy AODV is used in MIMC WMNs and propose an interface assignment-based AODV (IA-AODV in order to resolve that problem. IA-AODV, which is based on multitarget path request, consists of the PREQ prediction scheme, the PREQ loss recovery scheme, and the PREQ sender assignment scheme. A detailed operation according to various network conditions and services is introduced, and the routing efficiency and network reliability of a network using IA-AODV are analyzed over the presented system model. Finally, after a real-world test-bed for MIMC WMNs using the IA-AODV routing protocol is implemented, the various indicators of the network are evaluated through experiments. When the proposed routing protocol is compared with the existing AODV routing protocol, it performs the path update using only 14.33% of the management frames, completely removes the routing malfunction, and reduces the UDP packet loss ratio by 0.0012%.

  9. Spectroscopy of vibrationally hot molecules: Hydrogen cyanide and acetylene

    International Nuclear Information System (INIS)

    Jonas, D.M.

    1992-01-01

    An efficient formula for calculating nuclear spin statistical weights is presented. New experimental methods to distinguish electric and magnetic multipole transitions are proposed and used to prove that the formaldehyde A - X 0-0 transition is a magnetic dipole transition. HIgh resolution vacuum ultraviolet studies of the A → X fluorescence excitation spectrum of hydrogen cyanide (HCN) have: (i) determined that only the (0,1,0) vibrational level of the HCN A-state has a sufficiently long fluorescence lifetime to be suitable for Stimulated Emission Pumping (SEP) studies; and (ii) measured the electric dipole moment of the A-state. Several transitions in the hydrogen cyanide A → X SEP spectrum are shown to be due to the axis-switching mechanism. From a Franck-Condon plot of the intensities and a comparison between sums of predicted rotational constants and sums of observed rotational constants, all of the remaining transitions in the SEP spectrum can be securly assigned. Two weak resonances; a 2:3 CH:CN stretch Fermi resonance and a 6:2 bend:CN stretch resonance appear in the SEP spectrum. Excitation of the CH stretching vibration is predicted and shown to be entirely absent, apart from resonances, in the HCN SEP spectrum. A → X SEP spectra of acetylene (HCCH) near E VIB = 7,000 cm -1 display a wealth of strong and fully assignable anharmonic resonances and forbidden rotational transitions. It is proved that Darling-Dennison resonance between the cis and trans bending vibrations is the crucial first step in a series of anharmonic resonances which can transfer nearly all the vibrational energy out of the initial CC stretch/trans-bend excitation at high vibrational energy. Secondary steps in the vibrational energy flow are vibrational-l-resonance and the '2345' Fermi resonance. For short times, the vibrational energy redistribution obeys very restrictive rules

  10. Vibrational spectroscopic studies of Isoleucine by quantum chemical calculations.

    Science.gov (United States)

    Moorthi, P P; Gunasekaran, S; Ramkumaar, G R

    2014-04-24

    In this work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of Isoleucine (2-Amino-3-methylpentanoic acid). The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments, thermodynamics properties, NBO analyses, NMR chemical shifts and ultraviolet-visible spectral interpretation of Isoleucine have been studied by performing MP2 and DFT/cc-pVDZ level of theory. The FTIR, FT-Raman spectra were recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1) respectively. The UV-visible absorption spectra of the compound were recorded in the range of 200-800 nm. Computational calculations at MP2 and B3LYP level with basis set of cc-pVDZ is employed in complete assignments of Isoleucine molecule on the basis of the potential energy distribution (PED) of the vibrational modes, calculated using VEDA-4 program. The calculated wavenumbers are compared with the experimental values. The difference between the observed and calculated wavenumber values of most of the fundamentals is very small. (13)C and (1)H nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method and compared with experimental results. The formation of hydrogen bond was investigated in terms of the charge density by the NBO calculations. Based on the UV spectra and TD-DFT calculations, the electronic structure and the assignments of the absorption bands were carried out. Besides, molecular electrostatic potential (MEP) were investigated using theoretical calculations. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. Probabilistic validation of protein NMR chemical shift assignments

    International Nuclear Information System (INIS)

    Dashti, Hesam; Tonelli, Marco; Lee, Woonghee; Westler, William M.; Cornilescu, Gabriel; Ulrich, Eldon L.; Markley, John L.

    2016-01-01

    Data validation plays an important role in ensuring the reliability and reproducibility of studies. NMR investigations of the functional properties, dynamics, chemical kinetics, and structures of proteins depend critically on the correctness of chemical shift assignments. We present a novel probabilistic method named ARECA for validating chemical shift assignments that relies on the nuclear Overhauser effect data. ARECA has been evaluated through its application to 26 case studies and has been shown to be complementary to, and usually more reliable than, approaches based on chemical shift databases. ARECA is available online at http://areca.nmrfam.wisc.edu/ http://areca.nmrfam.wisc.edu/

  12. Probabilistic validation of protein NMR chemical shift assignments

    Energy Technology Data Exchange (ETDEWEB)

    Dashti, Hesam [University of Wisconsin-Madison, Graduate Program in Biophysics, Biochemistry Department (United States); Tonelli, Marco; Lee, Woonghee; Westler, William M.; Cornilescu, Gabriel [University of Wisconsin-Madison, Biochemistry Department, National Magnetic Resonance Facility at Madison (United States); Ulrich, Eldon L. [University of Wisconsin-Madison, BioMagResBank, Biochemistry Department (United States); Markley, John L., E-mail: markley@nmrfam.wisc.edu, E-mail: jmarkley@wisc.edu [University of Wisconsin-Madison, Biochemistry Department, National Magnetic Resonance Facility at Madison (United States)

    2016-01-15

    Data validation plays an important role in ensuring the reliability and reproducibility of studies. NMR investigations of the functional properties, dynamics, chemical kinetics, and structures of proteins depend critically on the correctness of chemical shift assignments. We present a novel probabilistic method named ARECA for validating chemical shift assignments that relies on the nuclear Overhauser effect data. ARECA has been evaluated through its application to 26 case studies and has been shown to be complementary to, and usually more reliable than, approaches based on chemical shift databases. ARECA is available online at http://areca.nmrfam.wisc.edu/ http://areca.nmrfam.wisc.edu/.

  13. Wireless vibration monitoring in a US coal-fired plant

    Energy Technology Data Exchange (ETDEWEB)

    Gbur, G.L.; Wier, W.; Bark, T.

    2006-07-15

    Choosing a reliable wireless systems able to provide data on vibration magnitudes in a coal pulveriser was never going to be easy, so two systems were tested alongside each other. One was the Wireless MCT System produced by SKF Reliability Systems; the other was from an alternative vendor. A replacement wireless vibration monitor was required at the Baldwin Energy Complex near Decartar, Illinois, USA. A single CE-Raymond model 923.RP pulverizer equipped with eight Wilcox on 786A accelerometers was chosen for monitoring. Five days after installation, the pulverizer experienced a failure. The wireless system provided vibration magnitudes to Dynegy's OSI PI Historian software. Analysis of this data coupled with an unsuccessful attempt to adjust the grinding roll, revealed that the number two grinding roll bearing had failed. The SKF Reliability System proved to detect the fault earlier than the non-SKF system and was chosen for the plant. 10 figs., 1 tab.

  14. Sampled control of vibration in suspended cask by using vibration manipulation functions

    International Nuclear Information System (INIS)

    Kotake, Shigeo

    2014-01-01

    Safe and reliable operation is most important for decommissioning the Fukushima 1 nuclear power plant. Especially it requires for transferring spent nuclear fuels from fuel pool to storage cask. Since the heavy cask will be suspended during the transferring operation, there is a risk of dropping it in case of the strike of large earthquakes. In this study, we introduce analytical functions to suppress residual vibration of a suspended cask by using vibration manipulation function. Hence the oscillation of the cask can be feedforward or sampled-data controlled by moving a trolley with analog actuator, the possible risk could be reduced. (author)

  15. Vibrational Investigations of Silver-Doped Hydroxyapatite with Antibacterial Properties

    OpenAIRE

    Ciobanu, Carmen Steluta; Iconaru, Simona Liliana; Le Coustumer, Phillippe; Predoi, Daniela

    2013-01-01

    Silver-doped hydroxyapatite (Ag:HAp) was obtained by coprecipitation method. Transmission electron microscopy (TEM), infrared, and Raman analysis confirmed the development of Ag:HAp with good crystal structure. Transmission electron microscopy analysis showed an uniform ellipsoidal morphology with particles from 5 nm to 15 nm. The main vibrational bands characteristic to HAp were identified. The bands assigned to phosphate vibrational group were highlighted in infrared and Raman spectra. The...

  16. Microwave, infrared and Raman spectra, adjusted r{sub 0} structural parameters, conformational stability, and vibrational assignment of cyclopropylfluorosilane

    Energy Technology Data Exchange (ETDEWEB)

    Panikar, Savitha S. [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States); Guirgis, Gamil A.; Eddens, Matthew T.; Dukes, Horace W. [Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424 (United States); Conrad, Andrew R.; Tubergen, Michael J. [Department of Chemistry, Kent State University, Kent, OH 44242 (United States); Gounev, Todor K. [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States); Durig, James R., E-mail: durigj@umkc.edu [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States)

    2013-03-29

    Highlights: ► The most stable gauche conformer has been identified from microwave spectra. ► Enthalpy difference has been determined between the two forms. ► Adjusted r{sub 0} structures were obtained for the gauche form. ► Ab initio calculations were performed for the two conformers. - Abstract: FT-microwave, infrared spectra of gas and Raman spectra of liquid for cyclopropylfluorosilane, c-C{sub 3}H{sub 5}SiH{sub 2}F have been recorded. 51 transitions for the {sup 28}Si, {sup 29}Si, and {sup 30}Si isotopomers have been assigned for the gauche conformer. Enthalpy differences in xenon solution by variable temperature infrared spectra between the more stable gauche and lesser stable cis form gave 109 ± 9 cm{sup −1}. From the microwave rotational constants for the three isotopomers ({sup 28}Si, {sup 29}Si, {sup 30}Si) combined with structural parameters predicted from MP2(full)/6-311+G(d, p) calculations, adjusted r{sub 0} structural parameters were obtained for the gauche conformer. The heavy atom distances (Å): Si–C{sub 2} = 1.836(3); C{sub 2}–C{sub 4} = 1.525(3); C{sub 2}–C{sub 5} = 1.519(3); C{sub 4}–C{sub 5} = 1.494(3); Si–F = 1.594(3) and angles (°): ∠CSiF = 111.2(5); ∠SiC{sub 2}C{sub 4} = 117.5(5); ∠SiC{sub 2}C{sub 5} = 119.2(5). To support the vibrational assignments, MP2(full)/6-31G(d) calculations were carried out. Results are discussed and compared to the corresponding properties of some similar molecules.

  17. Vibrational spectroscopic study of terbutaline hemisulphate

    Science.gov (United States)

    Ali, H. R. H.; Edwards, H. G. M.; Kendrick, J.; Scowen, I. J.

    2009-05-01

    The Raman spectrum of terbutaline hemisulphate is reported for the first time, and molecular assignments are proposed on the basis of ab initio BLYP DFT calculations with a 6-31G* basis set and vibrational frequencies predicted within the quasi-harmonic approximation; these predictions compare favourably with the observed vibrational spectra. Comparison with previously published infrared data explains several spectral features. The results from this study provide data that can be used for the preparative process monitoring of terbutaline hemisulphate, an important β 2 agonist drug in various dosage forms and its interaction with excipients and other components.

  18. Application for vibration monitoring of aspheric surface machining based on wireless sensor networks

    Science.gov (United States)

    Han, Chun Guang; Guo, Yin Biao; Jiang, Chen

    2010-05-01

    Any kinds of tiny vibration of machine tool parts will have a great influence on surface quality of the workpiece at ultra-precise machining process of aspheric surface. At present the major way for decreasing influence of vibration is machining compensation technology. Therefore it is important for machining compensation control to acquire and transmit these vibration signals effectively. This paper presents a vibration monitoring system of aspheric surface machining machine tool based on wireless sensor networks (WSN). Some key issues of wireless sensor networks for vibration monitoring system of aspheric surface machining are discussed. The reliability of data transmission, network communication protocol and synchronization mechanism of wireless sensor networks are studied for the vibration monitoring system. The proposed system achieves multi-sensors vibration monitoring involving the grinding wheel, the workpiece and the workbench spindle. The wireless transmission of vibration signals is achieved by the combination with vibration sensor nodes and wireless network. In this paper, these vibration sensor nodes are developed. An experimental platform is structured which employs wireless sensor networks to the vibration monitoring system in order to test acquisition and wireless transmission of vibration signal. The test results show that the proposed system can achieve vibration data transmission effectively and reliability and meet the monitoring requirements of aspheric surface machining machine tool.

  19. Nonlinear resonance ultrasonic vibrations in Czochralski-silicon wafers

    Science.gov (United States)

    Ostapenko, S.; Tarasov, I.

    2000-04-01

    A resonance effect of generation of subharmonic acoustic vibrations is observed in as-grown, oxidized, and epitaxial silicon wafers. Ultrasonic vibrations were generated into a standard 200 mm Czochralski-silicon (Cz-Si) wafer using a circular ultrasound transducer with major frequency of the radial vibrations at about 26 kHz. By tuning frequency (f) of the transducer within a resonance curve, we observed a generation of intense f/2 subharmonic acoustic mode assigned as a "whistle." The whistle mode has a threshold amplitude behavior and narrow frequency band. The whistle is attributed to a nonlinear acoustic vibration of a silicon plate. It is demonstrated that characteristics of the whistle mode are sensitive to internal stress and can be used for quality control and in-line diagnostics of oxidized and epitaxial Cz-Si wafers.

  20. Review of magnetostrictive vibration energy harvesters

    Science.gov (United States)

    Deng, Zhangxian; Dapino, Marcelo J.

    2017-10-01

    The field of energy harvesting has grown concurrently with the rapid development of portable and wireless electronics in which reliable and long-lasting power sources are required. Electrochemical batteries have a limited lifespan and require periodic recharging. In contrast, vibration energy harvesters can supply uninterrupted power by scavenging useful electrical energy from ambient structural vibrations. This article reviews the current state of vibration energy harvesters based on magnetostrictive materials, especially Terfenol-D and Galfenol. Existing magnetostrictive harvester designs are compared in terms of various performance metrics. Advanced techniques that can reduce device size and improve performance are presented. Models for magnetostrictive devices are summarized to guide future harvester designs.

  1. Vibrational Spectroscopy of Ionic Liquids.

    Science.gov (United States)

    Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C

    2017-05-24

    Vibrational spectroscopy has continued use as a powerful tool to characterize ionic liquids since the literature on room temperature molten salts experienced the rapid increase in number of publications in the 1990's. In the past years, infrared (IR) and Raman spectroscopies have provided insights on ionic interactions and the resulting liquid structure in ionic liquids. A large body of information is now available concerning vibrational spectra of ionic liquids made of many different combinations of anions and cations, but reviews on this literature are scarce. This review is an attempt at filling this gap. Some basic care needed while recording IR or Raman spectra of ionic liquids is explained. We have reviewed the conceptual basis of theoretical frameworks which have been used to interpret vibrational spectra of ionic liquids, helping the reader to distinguish the scope of application of different methods of calculation. Vibrational frequencies observed in IR and Raman spectra of ionic liquids based on different anions and cations are discussed and eventual disagreements between different sources are critically reviewed. The aim is that the reader can use this information while assigning vibrational spectra of an ionic liquid containing another particular combination of anions and cations. Different applications of IR and Raman spectroscopies are given for both pure ionic liquids and solutions. Further issues addressed in this review are the intermolecular vibrations that are more directly probed by the low-frequency range of IR and Raman spectra and the applications of vibrational spectroscopy in studying phase transitions of ionic liquids.

  2. A vacuum microgripping tool with integrated vibration releasing capability

    Energy Technology Data Exchange (ETDEWEB)

    Rong, Weibin; Fan, Zenghua, E-mail: zenghua-fan@163.com; Wang, Lefeng; Xie, Hui; Sun, Lining [State Key Laboratory of Robotics and System, Harbin Institute of Technology, Harbin, Heilongjiang (China)

    2014-08-01

    Pick-and-place of micro-objects is a basic task in various micromanipulation demands. Reliable releasing of micro-objects is usually disturbed due to strong scale effects. This paper focuses on a vacuum micro-gripper with vibration releasing functionality, which was designed and assembled for reliable micromanipulation tasks. Accordingly, a vibration releasing strategy of implementing a piezoelectric actuator on the vacuum microgripping tool is presented to address the releasing problem. The releasing mechanism was illustrated using a dynamic micro contact model. This model was developed via theoretical analysis, simulations and pull-off force measurement using atomic force microscopy. Micromanipulation experiments were conducted to verify the performance of the vacuum micro-gripper. The results show that, with the assistance of the vibration releasing, the vacuum microgripping tool can achieve reliable release of micro-objects. A releasing location accuracy of 4.5±0.5 μm and a successful releasing rate of around 100% (which is based on 110 trials) were achieved for manipulating polystyrene microspheres with radius of 35–100 μm.

  3. A vacuum microgripping tool with integrated vibration releasing capability

    International Nuclear Information System (INIS)

    Rong, Weibin; Fan, Zenghua; Wang, Lefeng; Xie, Hui; Sun, Lining

    2014-01-01

    Pick-and-place of micro-objects is a basic task in various micromanipulation demands. Reliable releasing of micro-objects is usually disturbed due to strong scale effects. This paper focuses on a vacuum micro-gripper with vibration releasing functionality, which was designed and assembled for reliable micromanipulation tasks. Accordingly, a vibration releasing strategy of implementing a piezoelectric actuator on the vacuum microgripping tool is presented to address the releasing problem. The releasing mechanism was illustrated using a dynamic micro contact model. This model was developed via theoretical analysis, simulations and pull-off force measurement using atomic force microscopy. Micromanipulation experiments were conducted to verify the performance of the vacuum micro-gripper. The results show that, with the assistance of the vibration releasing, the vacuum microgripping tool can achieve reliable release of micro-objects. A releasing location accuracy of 4.5±0.5 μm and a successful releasing rate of around 100% (which is based on 110 trials) were achieved for manipulating polystyrene microspheres with radius of 35–100 μm

  4. Dynamic analysis and reliability assessment of structures with uncertain-but-bounded parameters under stochastic process excitations

    International Nuclear Information System (INIS)

    Do, Duy Minh; Gao, Wei; Song, Chongmin; Tangaramvong, Sawekchai

    2014-01-01

    This paper presents the non-deterministic dynamic analysis and reliability assessment of structures with uncertain-but-bounded parameters under stochastic process excitations. Random ground acceleration from earthquake motion is adopted to illustrate the stochastic process force. The exact change ranges of natural frequencies, random vibration displacement and stress responses of structures are investigated under the interval analysis framework. Formulations for structural reliability are developed considering the safe boundary and structural random vibration responses as interval parameters. An improved particle swarm optimization algorithm, namely randomised lower sequence initialized high-order nonlinear particle swarm optimization algorithm, is employed to capture the better bounds of structural dynamic characteristics, random vibration responses and reliability. Three numerical examples are used to demonstrate the presented method for interval random vibration analysis and reliability assessment of structures. The accuracy of the results obtained by the presented method is verified by the randomised Quasi-Monte Carlo simulation method (QMCSM) and direct Monte Carlo simulation method (MCSM). - Highlights: • Interval uncertainty is introduced into structural random vibration responses. • Interval dynamic reliability assessments of structures are implemented. • Boundaries of structural dynamic response and reliability are achieved

  5. Evaluation of the structural properties of powerful pesticide dieldrin in different media and their complete vibrational assignment

    Science.gov (United States)

    Castillo, María V.; Iramain, Maximiliano A.; Davies, Lilian; Manzur, María E.; Brandán, Silvia Antonia

    2018-02-01

    Dieldrin was characterized by using Fourier Transform infrared (FT-IR) and Raman (FT-Raman), Ultraviolet-Visible (UV-Visible) spectroscopies. The structural and vibrational properties for dieldrin in gas phase and in aqueous solution were computed combining those experimental spectra with hybrids B3LYP and WB97XD calculations by using the 6-31G* and 6-311++G** basis sets. Here, the experimental available Hydrogen and Carbon Nuclear Magnetic Resonance (1H and 13C NMR) for dieldrin were also used and compared with those predicted by calculations. The B3LYP/6-311++G** method generates the most stable structures while the results have demonstrated certain dependence of the volume and dipole moment values with the method, size of the basis set and, with the studied media. The lower solvation energy for dieldrin (-32.94 kJ/mol) is observed for the higher contraction volume (-2.4 Å3) by using the B3LYP/6-31G* method. The NBO studies suggest a high stability of dieldrin in gas phase by using the WB97XD/6-31G* method due to the n→π* and n*→π* interactions while the AIM analyses support this high stability by the C18⋯H26 and C14⋯O7 contacts. The different topological properties observed in the R5 ring suggest that probably this ring plays a very important role in the toxics properties of dieldrin. The frontier orbitals show that when dieldrin is compared with other toxics substances the reactivity increases in the following order: CO < STX < dieldrin < C6Cl6 assigned to the 75 vibration normal modes and their harmonic force fields and force constants for first time are reported for dieldrin. The

  6. Adaptive Piezoelectric Absorber for Active Vibration Control

    Directory of Open Access Journals (Sweden)

    Sven Herold

    2016-02-01

    Full Text Available Passive vibration control solutions are often limited to working reliably at one design point. Especially applied to lightweight structures, which tend to have unwanted vibration, active vibration control approaches can outperform passive solutions. To generate dynamic forces in a narrow frequency band, passive single-degree-of-freedom oscillators are frequently used as vibration absorbers and neutralizers. In order to respond to changes in system properties and/or the frequency of excitation forces, in this work, adaptive vibration compensation by a tunable piezoelectric vibration absorber is investigated. A special design containing piezoelectric stack actuators is used to cover a large tuning range for the natural frequency of the adaptive vibration absorber, while also the utilization as an active dynamic inertial mass actuator for active control concepts is possible, which can help to implement a broadband vibration control system. An analytical model is set up to derive general design rules for the system. An absorber prototype is set up and validated experimentally for both use cases of an adaptive vibration absorber and inertial mass actuator. Finally, the adaptive vibration control system is installed and tested with a basic truss structure in the laboratory, using both the possibility to adjust the properties of the absorber and active control.

  7. Direct observation of vibrational energy dispersal via methyl torsions.

    Science.gov (United States)

    Gardner, Adrian M; Tuttle, William D; Whalley, Laura E; Wright, Timothy G

    2018-02-28

    Explicit evidence for the role of methyl rotor levels in promoting energy dispersal is reported. A set of coupled zero-order vibration/vibration-torsion (vibtor) levels in the S 1 state of para -fluorotoluene ( p FT) are investigated. Two-dimensional laser-induced fluorescence (2D-LIF) and two-dimensional zero-kinetic-energy (2D-ZEKE) spectra are reported, and the assignment of the main features in both sets of spectra reveals that the methyl torsion is instrumental in providing a route for coupling between vibrational levels of different symmetry classes. We find that there is very localized, and selective, dissipation of energy via doorway states, and that, in addition to an increase in the density of states, a critical role of the methyl group is a relaxation of symmetry constraints compared to direct vibrational coupling.

  8. Structural dynamics and vibration 1995. PD-Volume 70

    International Nuclear Information System (INIS)

    Ovunc, B.A.; Esat, I.I.; Sabir, A.B.; Karadag, V.

    1995-01-01

    The themes of this symposium focused on: dynamic responses to temperature cycles and wind excitation; the influence of the hydraulic feedback on stability; structural reliability; vibratory stress relief; fault detection by signal processing; dynamic contact in mechanisms; vibration of thick flexible mechanisms; higher order mechanisms in flexible mechanisms; natural circular frequencies by finite element method; elastic buckling, stability, and vibration of linear and nonlinear structures; buckling of stiffened plates and rings; mixed variable optimization; vibration optimization; and optimization in a constrained space. Separate abstracts were prepared for 20 papers in this book

  9. Reliability optimization design of the gear modification coefficient based on the meshing stiffness

    Science.gov (United States)

    Wang, Qianqian; Wang, Hui

    2018-04-01

    Since the time varying meshing stiffness of gear system is the key factor affecting gear vibration, it is important to design the meshing stiffness to reduce vibration. Based on the effect of gear modification coefficient on the meshing stiffness, considering the random parameters, reliability optimization design of the gear modification is researched. The dimension reduction and point estimation method is used to estimate the moment of the limit state function, and the reliability is obtained by the forth moment method. The cooperation of the dynamic amplitude results before and after optimization indicates that the research is useful for the reduction of vibration and noise and the improvement of the reliability.

  10. Vibration-free stirling cryocooler for high definition microscopy

    Science.gov (United States)

    Riabzev, S. V.; Veprik, A. M.; Vilenchik, H. S.; Pundak, N.; Castiel, E.

    2009-12-01

    The normal operation of high definition Scanning Electronic and Helium Ion microscope tools often relies on maintaining particular components at cryogenic temperatures. This has traditionally been accomplished by using liquid coolants such as liquid Nitrogen. This inherently limits the useful temperature range to above 77 K, produces various operational hazards and typically involves elevated ownership costs, inconvenient logistics and maintenance. Mechanical coolers, over-performing the above traditional method and capable of delivering required (even below 77 K) cooling to the above cooled components, have been well-known elsewhere for many years, but their typical drawbacks, such as high purchasing cost, cooler size, low reliability and high power consumption have so far prevented their wide-spreading. Additional critical drawback is inevitable degradation of imagery performance originated from the wideband vibration export as typical for the operation of the mechanical cooler incorporating numerous movable components. Recent advances in the development of reliable, compact, reasonably priced and dynamically quiet linear cryogenic coolers gave rise to so-called "dry cooling" technologies aimed at eventually replacing the traditional use of outdated liquid Nitrogen cooling facilities. Although much improved these newer cryogenic coolers still produce relatively high vibration export which makes them incompatible with modern high definition microscopy tools. This has motivated further research activity towards developing a vibration free closed-cycle mechanical cryocooler. The authors have successfully adapted the standard low vibration Stirling cryogenic refrigerator (Ricor model K535-LV) delivering 5 W@40 K heat lift for use in vibration-sensitive high definition microscopy. This has been achieved by using passive mechanical counterbalancing of the main portion of the low frequency vibration export in combination with an active feed-forward multi

  11. Ab initio and DFT studies of the structure and vibrational spectra of anhydrous caffeine

    Science.gov (United States)

    Srivastava, Santosh K.; Singh, Vipin B.

    2013-11-01

    Vibrational spectra and molecular structure of anhydrous caffeine have been systematically investigated by second order Moller-Plesset (MP2) perturbation theory and density functional theory (DFT) calculations. Vibrational assignments have been made and many previous ambiguous assignments in IR and Raman spectra are amended. The calculated DFT frequencies and intensities at B3LYP/6-311++G(2d,2p) level, were found to be in better agreement with the experimental values. It was found that DFT with B3LYP functional predicts harmonic vibrational wave numbers more close to experimentally observed value when it was performed on MP2 optimized geometry rather than DFT geometry. The calculated TD-DFT vertical excitation electronic energies of the valence excited states of anhydrous caffeine are found to be in consonance to the experimental absorption peaks.

  12. Synthesis and vibrational spectrum of antimony phosphate, SbPO4.

    Science.gov (United States)

    Brockner, Wolfgang; Hoyer, Lars P

    2002-07-01

    SbPO4 was synthesized via a new route by reacting antimony metal with meta-phosphoric acid, (HPO3)n at high temperatures. The Raman and IR spectra of the title compound were recorded and the vibrational modes assigned on the basis of a factor group analysis. The internal vibrations are derived from tetrahedral PO4 units (approaching Sb[PO4]) by the correlation method, although the structure is polymeric and not ionic.

  13. Observer based output-feedback control to eliminate rorsional drill-string vibrations

    NARCIS (Netherlands)

    Vromen, T.G.M.; van de Wouw, N.; Doris, A.; Astrid, P.; Nijmeijer, H.

    2014-01-01

    Torsional stick-slip vibrations decrease the performance and reliability of drilling systems used for the exploration of energy and mineral resources. In this work, we present the design of a nonlinear observer-based outputfeedback control strategy to eliminate these vibrations. We apply the

  14. Identification of rotating and vibrating tetrahedrons in the heavy nucleus {sup 208}Pb

    Energy Technology Data Exchange (ETDEWEB)

    Heusler, A.

    2017-11-15

    Ten known states in the heavy nucleus {sup 208}Pb at 2.6 < E{sub x} < 7.9 MeV are described by rotating and vibrating tetrahedrons. The 3{sup -} and 4{sup +} yrast states are the first members of the rotational band. A 2{sup ±} doublet state with the 2{sup +} yrast state as one member and the newly recognized 2{sup -} yrast state as the other member, the 1{sup -} yrast state, and the third 0{sup +} state are the heads of the three elementary tetrahedral rotating and vibrating bands. The newly recognized state at E{sub x} = 4142 keV was assigned spin 2 in 1975 and is suggested to have negative parity by the absent {sup 208}Pb(α, α{sup '}) excitation. Four more states at 5.7 < E{sub x} < 7.9 MeV are identified as the next members of the three elementary tetrahedral rotating and vibrating bands. The ambiguous spin assignment to the state at E{sub x} = 7020 keV is settled with 3{sup -}, the state at E{sub x} = 7137 keV is assigned 4{sup -}. (orig.)

  15. Synthesis, vibrational, NMR, quantum chemical and structure-activity relation studies of 2-hydroxy-4-methoxyacetophenone.

    Science.gov (United States)

    Arjunan, V; Devi, L; Subbalakshmi, R; Rani, T; Mohan, S

    2014-09-15

    The stable geometry of 2-hydroxy-4-methoxyacetophenone is optimised by DFT/B3LYP method with 6-311++G(∗∗) and cc-pVTZ basis sets. The structural parameters, thermodynamic properties and vibrational frequencies of the optimised geometry have been determined. The effects of substituents (hydroxyl, methoxy and acetyl groups) on the benzene ring vibrational frequencies are analysed. The vibrational frequencies of the fundamental modes of 2-hydroxy-4-methoxyacetophenone have been precisely assigned and analysed and the theoretical results are compared with the experimental vibrations. 1H and 13C NMR isotropic chemical shifts are calculated and assignments made are compared with the experimental values. The energies of important MO's, the total electron density and electrostatic potential of the compound are determined. Various reactivity and selectivity descriptors such as chemical hardness, chemical potential, softness, electrophilicity, nucleophilicity and the appropriate local quantities are calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. Observer-based output-feedback control to eliminate torsional drill-string vibrations

    NARCIS (Netherlands)

    Vromen, T.G.M.; Wouw, van de N.; Doris, A.; Astrid, P.; Nijmeijer, H.

    2014-01-01

    Torsional stick-slip vibrations decrease the performance and reliability of drilling systems used for the exploration of energy and mineral resources. In this work, we present the design of a nonlinear observer-based output-feedback control strategy to eliminate these vibrations. We apply the

  17. Vibrational spectroscopic study of poldervaartite CaCa[SiO3(OH)(OH)

    Science.gov (United States)

    Frost, Ray L.; López, Andrés; Scholz, Ricardo; Lima, Rosa Malena Fernandes

    2015-02-01

    We have studied the mineral poldervaartite CaCa[SiO3(OH)(OH)] which forms a series with its manganese analogue olmiite CaMn[SiO3(OH)](OH) using a range of techniques including scanning electron microscopy, thermogravimetric analysis, Raman and infrared spectroscopy. Chemical analysis shows the mineral is reasonably pure and contains only calcium and manganese with low amounts of Al and F. Thermogravimetric analysis proves the mineral decomposes at 485 °C with a mass loss of 7.6% compared with the theoretical mass loss of 7.7%. A strong Raman band at 852 cm-1 is assigned to the SiO stretching vibration of the SiO3(OH) units. Two Raman bands at 914 and 953 cm-1 are attributed to the antisymmetric vibrations. Intense prominent peaks observed at 3487, 3502, 3509, 3521 and 3547 cm-1 are assigned to the OH stretching vibration of the SiO3(OH) units. The observation of multiple OH bands supports the concept of the non-equivalence of the OH units. Vibrational spectroscopy enables a detailed assessment of the molecular structure of poldervaartite.

  18. The vibrational Jahn–Teller effect in E⊗e systems

    Energy Technology Data Exchange (ETDEWEB)

    Thapaliya, Bishnu P.; Dawadi, Mahesh B.; Ziegler, Christopher; Perry, David S., E-mail: dperry@uakron.edu

    2015-10-16

    Highlights: • The vibrational Jahn–Teller effect is documented for three E⊗e molecular systems. • The spontaneous vibrational Jahn–Teller distortion is very small. • Vibrational Jahn–Teller splittings are substantial (1–60 cm{sup −1}). • Vibrational conical intersections in CH{sub 3}OH are accessible at low energies. - Abstract: The Jahn–Teller theorem is applied in the vibrational context where degenerate high-frequency vibrational states (E) are considered as adiabatic functions of low-frequency vibrational coordinates (e). For CH{sub 3}CN and Cr(C{sub 6}H{sub 6})(CO){sub 3}, the global minimum of the non-degenerate electronic potential energy surface occurs at the C{sub 3v} geometry, but in CH{sub 3}OH, the equilibrium geometry is far from the C{sub 3v} reference geometry. In the former cases, the computed spontaneous Jahn–Teller distortion is exceptionally small. In methanol, the vibrational Jahn–Teller interaction results in the splitting of the degenerate E-type CH stretch into what have been traditionally assigned as the distinct ν{sub 2} and ν{sub 9} vibrational bands. The ab initio vibrational frequencies are fit precisely by a two-state high-order Jahn–Teller Hamiltonian (Viel and Eisfeld, 2004). The presence of vibrational conical intersections, including 7 for CH{sub 3}OH, has implications for spectroscopy, for geometric phase, and for ultrafast localized non-adiabatic energy transfer.

  19. Development of a high cycle vibration fatigue diagnostic system with non-contact vibration sensing

    International Nuclear Information System (INIS)

    Nekomoto, Yoshitsugu; Tanaka, Masanori; Nishimura, Moritatsu; Matsumoto, Kenji; O'shima, Eiji

    2004-01-01

    Nuclear power plants have a large number of pipes. These small-diameter pipe branches in particles are often damaged due to high-cycle fatigue. In order to ensure the reliability of a plant it is important to detect fatigue damages in pipe branches at an early stage and to develop the technology to predict and diagnose the advancement of fatigue. Further, in order to carry out the diagnosis of the piping system effectively during operation, non-contact evaluation is useful. Hence, we have developed a ''high-cycle fatigue diagnostic system with non-contact vibration sensing'', which measures the vibration of the pipe branch using a non-contact sensor. (author)

  20. Vibrational Raman optical activity of ketose monosaccharides

    Science.gov (United States)

    Bell, Alasdair F.; Hecht, Lutz; Barron, Laurence D.

    1995-07-01

    The vibrational Raman optical activity (ROA) spectra of the four ketose sugars D-fructose, L-sorbose, D-tagatose and D-psicose in aqueous solution, which have been measured in backscattering in the range ≈250-1500 cm -1, are reported. These results are combined with those from a previous ROA study of aldose and pentose sugars in an attempt to establish new vibrational assignments and to verify old ones. The high information content of these spectra provides a new perspective on all the central features of monosaccharide stereochemistry including dominant anomeric configuration, ring conformation, exocyclic CH 2OH group conformation and relative disposition of the hydroxyl groups around the ring.

  1. Assigning spectra of chaotic molecules with diabatic correlation diagrams

    International Nuclear Information System (INIS)

    Rose, J.P.; Kellman, M.E.

    1996-01-01

    An approach for classifying and organizing spectra of highly excited vibrational states of molecules is investigated. As a specific example, we analyze the spectrum of an effective spectroscopic fitting Hamiltonian for H 2 O. In highly excited spectra, multiple resonance couplings and anharmonicity interact to give branching of the N original normal modes into new anharmonic modes, accompanied by the onset of widespread chaos. The anharmonic modes are identified by means of a bifurcation analysis of the spectroscopic Hamiltonian. A diabatic correlation diagram technique is developed to assign the levels with approximate open-quote open-quote dynamical close-quote close-quote quantum numbers corresponding to the dynamics determined from the bifurcation analysis. The resulting assignment shows significant disturbance from the conventional spectral pattern organization into sequences and progressions. The open-quote open-quote dynamical close-quote close-quote assignment is then converted into an assignment in terms of open-quote open-quote nominal close-quote close-quote quantum numbers that function like the N normal mode quantum numbers at low energy. The nominal assignments are used to reconstruct, as much as possible, an organization of the spectrum resembling the usual separation into sequences and progressions. copyright 1996 American Institute of Physics

  2. Application of group theory to proper vibrations in an electric circuit

    OpenAIRE

    Hosoya, Masahiko; 細谷, 将彦

    2010-01-01

    Group-theoretical analysis is first presented to three-dimensional behavior of an electric circuit. All the modes of proper vibration are found and assigned to each irreducible representation of symmetrical group of the circuit without solving its circuit equations. In order that an electromagnetic radiation from the outside may induce each vibration, a selection rule which is similar to that in infrared absorption must be fulfilled. The circuit may be used as a directive antenna.

  3. Time-varying output performances of piezoelectric vibration energy harvesting under nonstationary random vibrations

    Science.gov (United States)

    Yoon, Heonjun; Kim, Miso; Park, Choon-Su; Youn, Byeng D.

    2018-01-01

    Piezoelectric vibration energy harvesting (PVEH) has received much attention as a potential solution that could ultimately realize self-powered wireless sensor networks. Since most ambient vibrations in nature are inherently random and nonstationary, the output performances of PVEH devices also randomly change with time. However, little attention has been paid to investigating the randomly time-varying electroelastic behaviors of PVEH systems both analytically and experimentally. The objective of this study is thus to make a step forward towards a deep understanding of the time-varying performances of PVEH devices under nonstationary random vibrations. Two typical cases of nonstationary random vibration signals are considered: (1) randomly-varying amplitude (amplitude modulation; AM) and (2) randomly-varying amplitude with randomly-varying instantaneous frequency (amplitude and frequency modulation; AM-FM). In both cases, this study pursues well-balanced correlations of analytical predictions and experimental observations to deduce the relationships between the time-varying output performances of the PVEH device and two primary input parameters, such as a central frequency and an external electrical resistance. We introduce three correlation metrics to quantitatively compare analytical prediction and experimental observation, including the normalized root mean square error, the correlation coefficient, and the weighted integrated factor. Analytical predictions are in an excellent agreement with experimental observations both mechanically and electrically. This study provides insightful guidelines for designing PVEH devices to reliably generate electric power under nonstationary random vibrations.

  4. Assignment of the Raman lines in single crystal barium metaborate (beta-BaB sub 2 O sub 4)

    CERN Document Server

    Ney, P; Maillard, A; Polgar, K

    1998-01-01

    A Raman-scattering study performed on beta-BaB sub 2 O sub 4 (beta-BBO) at room temperature allows us to assign all the vibrational modes detected in the Raman spectra. The internal and external vibration modes are properly obtained by taking account of the light polarization, mode contamination and isotope effects. A correspondence between the lattice and the free-ring modes is also presented. (author)

  5. The vibrational structure of dibenzo-p-dioxin

    DEFF Research Database (Denmark)

    Eriksen, Troels Kongsgaard; Hansen, Bjarke Knud Vilster; Spanget-Larsen, Jens

    2008-01-01

    by the results of a harmonic analysis based on B3LYP/cc-pVTZ density functional theory (DFT). The combined experimental and theoretical results led to proposal of a nearly complete assignment of the fundamental vibrational transitions of DD, involving reassignment of several transitions. The results...

  6. 75 FR 71613 - Mandatory Reliability Standards for Interconnection Reliability Operating Limits

    Science.gov (United States)

    2010-11-24

    ... Interconnection to relieve overloads on the facilities modeled in the Interchange Distribution Calculator (IDC... for other SOLs. But the Functional Model assigns a much broader role to the reliability coordinator to...

  7. Vibrational normal modes of diazo-dimedone: A comparative study by Fourier infrared/Raman spectroscopies and conformational analysis by MM/QM

    Science.gov (United States)

    Téllez Soto, C. A.; Ramos, J. M.; Rianelli, R. S.; de Souza, M. C. B. V.; Ferreira, V. F.

    2007-07-01

    The 2-diazo-5,5-dimethyl-cyclohexane-1,3-dione ( 3) was synthesized and the FT-IR/Raman spectra were measured with the purpose of obtain a full assignment of the vibrational modes. Singular aspects concerning the -C dbnd N dbnd N oscillator are discussed in view of two strong bands observed in the region of 2300-2100 cm -1 in both, Infrared and Raman spectra. The density functional theory (DFT) was used to obtain the geometrical structure and for assisting in the vibrational assignment joint to the traditional normal coordinate analysis (NCA). The observed wavenumbers at 2145 (IR), 2144(R) are assigned as the coupled ν(N dbnd N) + ν(C dbnd N) vibrational mode with higher participation of the N dbnd N stretching. A 2188 cm -1 (IR) and at 2186 cm -1 (R) can be assigned as a overtone of one of ν(CC) normal mode or to a combination band of the fundamentals δ(CCH) found at 1169 cm -1 and the δ (CC dbnd N) found at 1017 cm -1 enhanced by Fermi resonance.

  8. EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data

    Energy Technology Data Exchange (ETDEWEB)

    Zuiderweg, Erik R. P., E-mail: zuiderwe@umich.edu; Bagai, Ireena [The University of Michigan Medical School, Department of Biological Chemistry (United States); Rossi, Paolo [Rutgers University, Center for Integrative Proteomics Research (United States); Bertelsen, Eric B. [Arbor Communications, Inc. (United States)

    2013-10-15

    For several of the proteins in the BioMagResBank larger than 200 residues, 60 % or fewer of the backbone resonances were assigned. But how reliable are those assignments? In contrast to complete assignments, where it is possible to check whether every triple-resonance Generalized Spin System (GSS) is assigned once and only once, with incomplete data one should compare all possible assignments and pick the best one. But that is not feasible: For example, for 200 residues and an incomplete set of 100 GSS, there are 1.6 Multiplication-Sign 10{sup 260} possible assignments. In 'EZ-ASSIGN', the protein sequence is divided in smaller unique fragments. Combined with intelligent search approaches, an exhaustive comparison of all possible assignments is now feasible using a laptop computer. The program was tested with experimental data of a 388-residue domain of the Hsp70 chaperone protein DnaK and for a 351-residue domain of a type III secretion ATPase. EZ-ASSIGN reproduced the hand assignments. It did slightly better than the computer program PINE (Bahrami et al. in PLoS Comput Biol 5(3):e1000307, 2009) and significantly outperformed SAGA (Crippen et al. in J Biomol NMR 46:281-298, 2010), AUTOASSIGN (Zimmerman et al. in J Mol Biol 269:592-610, 1997), and IBIS (Hyberts and Wagner in J Biomol NMR 26:335-344, 2003). Next, EZ-ASSIGN was used to investigate how well NMR data of decreasing completeness can be assigned. We found that the program could confidently assign fragments in very incomplete data. Here, EZ-ASSIGN dramatically outperformed all the other assignment programs tested.

  9. A COMPUTERIZED DIAGNOSTIC COMPLEX FOR RELIABILITY TESTING OF ELECTRIC MACHINES

    Directory of Open Access Journals (Sweden)

    O.О. Somka

    2015-06-01

    Full Text Available Purpose. To develop a diagnostic complex meeting the criteria and requirements for carrying out accelerated reliability test and realizing the basic modes of electric machines operation and performance of the posed problems necessary in the process of such test. Methodology. To determine and forecast the indices of electric machines reliability in accordance with the statistic data of repair plants we have conditionally divided them into structural parts that are most likely to fail. We have preliminarily assessed the state of each of these parts, which includes revelation of faults and deviations of technical and geometric parameters. We have determined the analyzed electric machine controlled parameters used for assessment of quantitative characteristics of reliability of these parts and electric machines on the whole. Results. As a result of the research, we have substantiated the structure of a computerized complex for electric machines reliability test. It allows us to change thermal and vibration actions without violation of the physics of the processes of aging and wearing of the basic structural parts and elements material. The above mentioned makes it possible to considerably reduce time spent on carrying out electric machines reliability tests and improve trustworthiness of the data obtained as a result of their performance. Originality. A special feature of determination of the controlled parameters consists in removal of vibration components in the idle mode and after disconnection of the analyzed electric machine from the power supply with the aim of singling out the vibration electromagnetic component, fixing the degree of sparking and bend of the shaft by means of phototechnique and local determination of structural parts temperature provided by corresponding location of thermal sensors. Practical value. We have offered a scheme of location of thermal and vibration sensors, which allows improvement of parameters measuring accuracy

  10. An equipment test for grading lumber by transverse vibration technique

    Directory of Open Access Journals (Sweden)

    Marcelo Rodrigo Carreira

    2008-08-01

    Full Text Available Due to the great variability of its mechanical properties, the rational use of lumber for structural purposes is directly conditioned to its grading. There are several techniques available for grading structural lumber. The most relevant one is the transverse vibration technique which obtained reliable results in non-destructive evaluation of lumber. The purpose of this work is to present the bases for the mechanical grading of lumber and the results of the calibration test of the frst transverse vibration equipment developed in Brazil. In this research 30 beams of cupiúba (Goupia glabra with nominal dimensions of 5 cm X 10 cm X 300 cm, were used. The tests were accomplished at the Wood and Timber Structures Laboratory (LaMEM of the University of São Paulo (USP. The results showed a strong correlation between the elasticity modulus measured by the static bending test and the one obtained with the transverse vibration equipment, showing the high reliability of the vibration method for the grading of structural lumber. A determination coeffcient (R² of 0.896 was obtained with the Brazilian equipment, showing that it can be used in the grading of lumber.

  11. Vibrational investigation on FT-IR and FT-Raman spectra, IR intensity, Raman activity, peak resemblance, ideal estimation, standard deviation of computed frequencies analyses and electronic structure on 3-methyl-1,2-butadiene using HF and DFT (LSDA/B3LYP/B3PW91) calculations.

    Science.gov (United States)

    Ramalingam, S; Jayaprakash, A; Mohan, S; Karabacak, M

    2011-11-01

    FT-IR and FT-Raman (4000-100 cm(-1)) spectral measurements of 3-methyl-1,2-butadiene (3M12B) have been attempted in the present work. Ab-initio HF and DFT (LSDA/B3LYP/B3PW91) calculations have been performed giving energies, optimized structures, harmonic vibrational frequencies, IR intensities and Raman activities. Complete vibrational assignments on the observed spectra are made with vibrational frequencies obtained by HF and DFT (LSDA/B3LYP/B3PW91) at 6-31G(d,p) and 6-311G(d,p) basis sets. The results of the calculations have been used to simulate IR and Raman spectra for the molecule that showed good agreement with the observed spectra. The potential energy distribution (PED) corresponding to each of the observed frequencies are calculated which confirms the reliability and precision of the assignment and analysis of the vibrational fundamentals modes. The oscillation of vibrational frequencies of butadiene due to the couple of methyl group is also discussed. A study on the electronic properties such as HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The thermodynamic properties of the title compound at different temperatures reveal the correlations between standard heat capacities (C) standard entropies (S), and standard enthalpy changes (H). Crown Copyright © 2011. Published by Elsevier B.V. All rights reserved.

  12. EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data

    International Nuclear Information System (INIS)

    Zuiderweg, Erik R. P.; Bagai, Ireena; Rossi, Paolo; Bertelsen, Eric B.

    2013-01-01

    For several of the proteins in the BioMagResBank larger than 200 residues, 60 % or fewer of the backbone resonances were assigned. But how reliable are those assignments? In contrast to complete assignments, where it is possible to check whether every triple-resonance Generalized Spin System (GSS) is assigned once and only once, with incomplete data one should compare all possible assignments and pick the best one. But that is not feasible: For example, for 200 residues and an incomplete set of 100 GSS, there are 1.6 × 10 260 possible assignments. In “EZ-ASSIGN”, the protein sequence is divided in smaller unique fragments. Combined with intelligent search approaches, an exhaustive comparison of all possible assignments is now feasible using a laptop computer. The program was tested with experimental data of a 388-residue domain of the Hsp70 chaperone protein DnaK and for a 351-residue domain of a type III secretion ATPase. EZ-ASSIGN reproduced the hand assignments. It did slightly better than the computer program PINE (Bahrami et al. in PLoS Comput Biol 5(3):e1000307, 2009) and significantly outperformed SAGA (Crippen et al. in J Biomol NMR 46:281–298, 2010), AUTOASSIGN (Zimmerman et al. in J Mol Biol 269:592–610, 1997), and IBIS (Hyberts and Wagner in J Biomol NMR 26:335–344, 2003). Next, EZ-ASSIGN was used to investigate how well NMR data of decreasing completeness can be assigned. We found that the program could confidently assign fragments in very incomplete data. Here, EZ-ASSIGN dramatically outperformed all the other assignment programs tested

  13. Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

    Science.gov (United States)

    Krasniqi, F. S.; Zhong, Y.; Epp, S. W.; Foucar, L.; Trigo, M.; Chen, J.; Reis, D. A.; Wang, H. L.; Zhao, J. H.; Lemke, H. T.; Zhu, D.; Chollet, M.; Fritz, D. M.; Hartmann, R.; Englert, L.; Strüder, L.; Schlichting, I.; Ullrich, J.

    2018-03-01

    Long wavelength vibrational modes in the ferromagnetic semiconductor Ga0.91 Mn0.09 As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a single wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.

  14. Reliability-based design code calibration for concrete containment structures

    International Nuclear Information System (INIS)

    Han, B.K.; Cho, H.N.; Chang, S.P.

    1991-01-01

    In this study, a load combination criteria for design and a probability-based reliability analysis were proposed on the basis of a FEM-based random vibration analysis. The limit state model defined for the study is a serviceability limit state of the crack failure that causes the emission of radioactive materials, and the results are compared with the case of strength limit state. More accurate reliability analyses under various dynamic loads such as earthquake loads were made possible by incorporating the FEM and random vibration theory, which is different from the conventional reliability analysis method. The uncertainties in loads and resistance available in Korea and the references were adapted to the situation of Korea, and especially in case of earthquake, the design earthquake was assessed based on the available data for the probabilistic description of earthquake ground acceleration in the Korea peninsula. The SAP V-2 is used for a three-dimensional finite element analysis of concrete containment structure, and the reliability analysis is carried out by modifying HRAS reliability analysis program for this study. (orig./GL)

  15. DFT simulations and vibrational spectra of 2-amino-2-methyl-1,3-propanediol

    Science.gov (United States)

    Renuga Devi, T. S.; Sharmi kumar, J.; Ramkumaar, G. R.

    2014-12-01

    The FTIR and FT-Raman spectra of 2-amino-2-methyl-1,3-propanediol were recorded in the regions 4000-400 cm-1 and 4000-50 cm-1 respectively. The structural and spectroscopic data of the molecule in the ground state were calculated using Hartee-Fock and density functional method (B3LYP) with the augmented-correlation consistent-polarized valence double zeta (aug-cc-pVDZ) basis set. The most stable conformer was optimized and the structural and vibrational parameters were determined based on this. The complete assignments were performed on the basis of the Potential Energy Distribution (PED) of the vibrational modes, calculated using Vibrational Energy Distribution Analysis (VEDA) 4 program. With the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. Thermodynamic properties and Mulliken charges were calculated using both Hartee-Fock and density functional method using the aug-cc-pVDZ basis set and compared. The calculated HOMO-LUMO energy gap revealed that charge transfer occurs within the molecule. 1H and 13C NMR chemical shifts of the molecule were calculated using Gauge-Independent Atomic Orbital (GIAO) method and were compared with experimental results.

  16. Effects of Vibration Therapy in Pediatric Immunizations.

    Science.gov (United States)

    Benjamin, Arika L; Hendrix, Thomas J; Woody, Jacque L

    2016-01-01

    A randomized clinical trial of 100 children (52 boys, 48 girls) ages 2 months to 7 years was conducted to evaluate the effect of vibration therapy without cold analgesia on pain. A convenience sample was recruited at two sites: a publicly funded, free immunization clinic and a private group pediatric practice. Participants were randomly assigned to receive vibration therapy via a specialized vibrating device or standard care. All children regardless of intervention group were allowed to be distracted and soothed by the parent. Pain was evaluated using the FLACC score, which two nurses assessed at three points in time: prior to, during, and after the injection(s). Data were analyzed using a two-independent samples-paired t-test. Results show that vibration therapy had no effect on pain scores in the younger age groups studied (2 months ≤ 1 year, > 1 year ≤ 4 years). In the oldest age group (> 4 to 7 years of age), a heightened pain reading was found in the period from preinjection to post-injection periods (p = 0.045). These results indicate that the addition of vibration therapy (without cold analgesia) to standard soothing techniques is no more effective in reducing immunization pain than standard soothing techniques alone, and thus, is not indicated for use with immunization pain. Recommendations include further evaluation of interventions.

  17. Molecular Structure And Vibrational Frequencies of Tetrafluoro isophthalonitrile By Hartree-Fock And Density Functional Theory Calculations

    International Nuclear Information System (INIS)

    Ayikoglu, A.

    2008-01-01

    The molecular structure, vibrational frequencies and corresponding vibrational assignments of tetrafluoro isophthalonitrile (TFPN) in the ground state have been calculated using the Hartree-Fock (HF) and density functional methods (B3LYP) with 6-311++G (d, p) basis set. The calculations were utilized in the CS symmetry of TFPN. The obtained vibrational frequencies and optimized geometric parameters (bond lengths and bond angles) were seen to be in good agreement with the experimental data. The comparison of the observed and calculated results showed that the B3LYP method is superior to the HF method for both the vibrational frequencies and geometric parameters

  18. Multi-state reliability for coolant pump based on dependent competitive failure model

    International Nuclear Information System (INIS)

    Shang Yanlong; Cai Qi; Zhao Xinwen; Chen Ling

    2013-01-01

    By taking into account the effect of degradation due to internal vibration and external shocks. and based on service environment and degradation mechanism of nuclear power plant coolant pump, a multi-state reliability model of coolant pump was proposed for the system that involves competitive failure process between shocks and degradation. Using this model, degradation state probability and system reliability were obtained under the consideration of internal vibration and external shocks for the degraded coolant pump. It provided an effective method to reliability analysis for coolant pump in nuclear power plant based on operating environment. The results can provide a decision making basis for design changing and maintenance optimization. (authors)

  19. Conformational, vibrational, NMR and DFT studies of N-methylacetanilide.

    Science.gov (United States)

    Arjunan, V; Santhanam, R; Rani, T; Rosi, H; Mohan, S

    2013-03-01

    A detailed conformational, vibrational, NMR and DFT studies of N-methylacetanilide have been carried out. In DFT, B3LYP method have been used with 6-31G(**), 6-311++G(**) and cc-pVTZ basis sets. The vibrational frequencies were calculated resulting in IR and Raman frequencies together with intensities and Raman depolarisation ratios. The dipole moment derivatives were computed analytically. Owing to the complexity of the molecule, the potential energy distributions of the vibrational modes of the compound are also calculated. Isoelectronic molecular electrostatic potential surface (MEP) and electron density surface were examined. (1)H and (13)C NMR isotropic chemical shifts were calculated and the assignments made are compared with the experimental values. The energies of important MO's of the compound were also determined from TD-DFT method. Copyright © 2012 Elsevier B.V. All rights reserved.

  20. Heat exchanger vibrations - a case study (Paper No. 5.12)

    International Nuclear Information System (INIS)

    Khilnaney, V.K.

    1992-01-01

    The satisfactory performance of heat exchangers is crucial to the reliability of the plant. Thorough vibration analysis is essential at design stage to avoid failures at the time of operation. Detailed vibration analysis techniques were not available at the time of designing these exchangers and the exchangers were designed as per general guidelines and prevalent good engineering practices. The designs were not checked especially from the point of view of their proneness to excessive flow induced vibration. The present paper gives a study of revamping of cooling water heat exchanger at Heavy Water Plant, Kota. (author)

  1. PREFACE: Vibrations at surfaces Vibrations at surfaces

    Science.gov (United States)

    Rahman, Talat S.

    2011-12-01

    This special issue is dedicated to the phenomenon of vibrations at surfaces—a topic that was indispensible a couple of decades ago, since it was one of the few phenomena capable of revealing the nature of binding at solid surfaces. For clean surfaces, the frequencies of modes with characteristic displacement patterns revealed how surface geometry, as well as the nature of binding between atoms in the surface layers, could be different from that in the bulk solid. Dispersion of the surface phonons provided further measures of interatomic interactions. For chemisorbed molecules on surfaces, frequencies and dispersion of the vibrational modes were also critical for determining adsorption sites. In other words, vibrations at surfaces served as a reliable means of extracting information about surface structure, chemisorption and overlayer formation. Experimental techniques, such as electron energy loss spectroscopy and helium-atom-surface scattering, coupled with infra-red spectroscopy, were continually refined and their resolutions enhanced to capture subtleties in the dynamics of atoms and molecules at surfaces. Theoretical methods, whether based on empirical and semi-empirical interatomic potential or on ab initio electronic structure calculations, helped decipher experimental observations and provide deeper insights into the nature of the bond between atoms and molecules in regions of reduced symmetry, as encountered on solid surfaces. Vibrations at surfaces were thus an integral part of the set of phenomena that characterized surface science. Dedicated workshops and conferences were held to explore the variety of interesting and puzzling features revealed in experimental and theoretical investigations of surface vibrational modes and their dispersion. One such conference, Vibrations at Surfaces, first organized by Harald Ibach in Juelich in 1980, continues to this day. The 13th International Conference on Vibrations at Surfaces was held at the University of

  2. On the nature of highly vibrationally excited states of thiophosgene

    Indian Academy of Sciences (India)

    Understanding the nature of the highly excited molecu- lar eigenstates is equivalent to deciphering the mecha- nism of intramolecular vibrational energy redistribution. (IVR) occurring in the molecule.1 However, the assign- ment of eigenstates is far from simple. The existence of and interplay of several strong anharmonic ...

  3. Comparing the effects of 3 weeks of upper-body vibration training, vibration and stretching, and stretching alone on shoulder flexibility in college-aged men.

    Science.gov (United States)

    Ferguson, Steven L; Kim, Eonho; Seo, Dong-Il; Bemben, Michael G

    2013-12-01

    This study compared the effects of 3 weeks of upper-body vibration training, vibration and stretching, and stretching alone on shoulder flexibility in college-aged men. Twenty-one men were randomly assigned to vibration-stretching (VS; n = 8), vibration only (VO; n = 6), or stretching only (SO; n = 7) groups that trained 3 times per week for 3 weeks. All 3 groups performed 9 total sets of 30-second stretches. The VS group performed four 30-second upper-body vibration exercises and five 30-second upper-body stretching exercises. The VO group performed nine 30-second upper-body vibration exercises. The SO group performed nine 30-second upper-body stretching exercises. Shoulder flexion (SF), shoulder extension (SE), and shoulder transverse extension (STE) were assessed by a Leighton Flexometer and back scratch tests bilaterally (BSR, BSL) were measured via tape measure. A 1-way analysis of variance (ANOVA) evaluated groups at baseline and a 2-way repeated-measures ANOVA evaluated the interventions over time. At baseline, there were no group differences in age, height, or weight. There was a significant (p alone or combined with stretching, is a viable alternative to a standard stretching routine when attempting to increase shoulder flexibility. Adding vibration training to a flexibility regimen may improve the likelihood of regularly performing flexibility sessions because of increased variety.

  4. Thermal analysis and vibrational spectroscopic characterization of the boro silicate mineral datolite - CaBSiO4(OH)

    Science.gov (United States)

    Frost, Ray L.; Xi, Yunfei; Scholz, Ricardo; Lima, Rosa Malena Fernandes; Horta, Laura Frota Campos; Lopez, Andres

    2013-11-01

    The objective of this work is to determine the thermal stability and vibrational spectra of datolite CaBSiO4(OH) and relate these properties to the structure of the mineral. The thermal analysis of datolite shows a mass loss of 5.83% over a 700-775 °C temperature range. This mass loss corresponds to 1 water (H2O) molecules pfu. A quantitative chemical analysis using electron probe was undertaken. The Raman spectrum of datolite is characterized by bands at 917 and 1077 cm-1 assigned to the symmetric stretching modes of BO and SiO tetrahedra. A very intense Raman band is observed at 3498 cm-1 assigned to the stretching vibration of the OH units in the structure of datolite. BOH out-of-plane vibrations are characterized by the infrared band at 782 cm-1. The vibrational spectra are based upon the structure of datolite based on sheets of four- and eight-membered rings of alternating SiO4 and BO3(OH) tetrahedra with the sheets bonded together by calcium atoms.

  5. Localization of Vibrating Noise Sources in Nuclear Reactor Cores

    International Nuclear Information System (INIS)

    Hultqvist, Pontus

    2004-09-01

    In this thesis the possibility of locating vibrating noise sources in a nuclear reactor core from the neutron noise has been investigated using different localization methods. The influence of the vibrating noise source has been considered to be a small perturbation of the neutron flux inside the reactor. Linear perturbation theory has been used to construct the theoretical framework upon which the localization methods are based. Two different cases have been considered: one where a one-dimensional one-group model has been used and another where a two-dimensional two-energy group noise simulator has been used. In the first case only one localization method is able to determine the position with good accuracy. This localization method is based on finding roots of an equation and is sensitive to other perturbations of the neutron flux. It will therefore work better with the assistance of approximative methods that reconstruct the noise source to determine if the results are reliable or not. In the two-dimensional case the results are more promising. There are several different localization techniques that reproduce both the vibrating noise source position and the direction of vibration with enough precision. The approximate methods that reconstruct the noise source are substantially better and are able to support the root finding method in a more constructive way. By combining the methods, the results will be more reliable

  6. Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I

    Science.gov (United States)

    Takahashi, Masae; Ishikawa, Yoichi

    2013-06-01

    We perform dispersion-corrected first-principles calculations, and far-infrared (terahertz) spectroscopic experiments at 4 K, to examine translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I. The calculated frequencies and relative intensities reproduce the observed spectrum to accuracy of 11 cm-1 or less. The stronger one of the two peaks assigned to the translational mode includes the stretching vibration of the weak hydrogen bond between the acetyl groups of a neighboring one-dimensional chain. The calculation of aspirin form II performed for comparison gives the stretching vibration of the weak hydrogen bond in one-dimensional chain.

  7. Selective probe of the morphology and local vibrations at carbon nanoasperities

    Energy Technology Data Exchange (ETDEWEB)

    Fujimori, Toshihiko; Endo, Morinobu; Kaneko, Katsumi [Research Center for Exotic Nanocarbons (JST), Shinshu University, 4-17-1, Wakasato, Nagano-city 380-8553 (Japan); Urita, Koki; Moriguchi, Isamu [Department of Applied Chemistry, Faculty of Engineering, Nagasaki University, 1-14 Bunkyo-machi, Nagasaki-shi, Nagasaki 852-8521 (Japan); Tomanek, David [Physics and Astronomy Department, Michigan State University, East Lansing, Michigan 48824 (United States); Ohba, Tomonori [Department of Chemistry, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan)

    2012-02-14

    We introduce a way to selectively probe local vibration modes at nanostructured asperities such as tips of carbon nanohorns. Our observations benefit from signal amplification in surface-enhanced Raman scattering (SERS) at sites near a silver surface. We observe nanohorn tip vibration modes in the range 200-500 cm{sup -1}, which are obscured in regular Raman spectra. Ab initio density functional calculations assign modes in this frequency range to local vibrations at the nanohorn cap resembling the radial breathing mode of fullerenes. Careful interpretation of our SERS spectra indicates presence of caps with 5 or 6 pentagons, which are chemically the most active sites. Changes in the peak intensities and frequencies with time indicate that exposure to laser irradiation may cause structural rearrangements at the cap.

  8. Study on residual stresses in ultrasonic torsional vibration assisted micro-milling

    Science.gov (United States)

    Lu, Zesheng; Hu, Haijun; Sun, Yazhou; Sun, Qing

    2010-10-01

    It is well known that machining induced residual stresses can seriously affect the dimensional accuracy, corrosion and wear resistance, etc., and further influence the longevity and reliability of Micro-Optical Components (MOC). In Ultrasonic Torsional Vibration Assisted Micro-milling (UTVAM), cutting parameters, vibration parameters, mill cutter parameters, the status of wear length of tool flank are the main factors which affect residual stresses. A 2D model of UTVAM was established with FE analysis software ABAQUS. Johnson-Cook's flow stress model and shear failure principle are used as the workpiece material model and failure principle, while friction between tool and workpiece uses modified Coulomb's law whose sliding friction area is combined with sticking friction. By means of FEA, the influence rules of cutting parameters, vibration parameters, mill cutter parameters, the status of wear length of tool flank on residual stresses are obtained, which provides a basis for choosing optimal process parameters and improving the longevity and reliability of MOC.

  9. Development of a high cycle vibration fatigue diagnostic system with non-contact vibration sensing

    International Nuclear Information System (INIS)

    Yoshitsugu, Nekomoto; Satoshi, Kiriyama; Moritatsu, Nishimura; Kenji, Matsumoto; Eiji, O'shima

    2001-01-01

    Nuclear power plants have a large number of pipes. Of these small-diameter pipe branches in particular are often damaged due to high-cycle fatigue. In order to ensure the reliability of a plant it is important to detect the fatigues in pipe branches at an early stage and to develop the technology to predict and diagnose the advancement of fatigue. Further, in order to carry out the diagnosis of the piping system effectively during operation, non-contact evaluation is useful. Hence, we have developed a 'high-cycle fatigue diagnostic system with non-contact vibration sensing', where the vibration of the pipe branch is measured using a non-contact sensor. Since the contents of the developed sensor technology has already been reported, this paper mainly describes the newly developed high-cycle fatigue diagnostic system. (authors)

  10. The Influence of Whole-Body Vibration on Creatine Kinase Activity and Jumping Performance in Young Basketball Players

    Science.gov (United States)

    Fachina, Rafael; da Silva, Antônio; Falcão, William; Montagner, Paulo; Borin, João; Minozzo, Fábio; Falcão, Diego; Vancini, Rodrigo; Poston, Brach; de Lira, Claudio

    2013-01-01

    Purpose: To quantify creatine kinase (CK) activity changes across time following an acute bout of whole-body vibration (WBV) and determine the association between changes in CK activity and jumping performance. Method: Twenty-six elite young basketball players were assigned to 3 groups: 36-Hz and 46-Hz vibration groups (G36 and G46, respectively)…

  11. Suppression of panel flutter of near-space aircraft based on non-probabilistic reliability theory

    Directory of Open Access Journals (Sweden)

    Ye-Wei Zhang

    2016-03-01

    Full Text Available The vibration active control of the composite panels with the uncertain parameters in the hypersonic flow is studied using the non-probabilistic reliability theory. Using the piezoelectric patches as active control actuators, dynamic equations of panel are established by finite element method and Hamilton’s principle. And the control model of panel with uncertain parameters is obtained. According to the non-probabilistic reliability index, and besides being based on H∞ robust control theory and non-probabilistic reliability theory, the non-probabilistic reliability performance function is given. Moreover, the relationships between the robust controller and H∞ performance index and reliability are established. Numerical results show that the control method under the influence of reliability, H∞ performance index, and approaching velocity is effective to the vibration suppression of panel in the whole interval of uncertain parameters.

  12. Theoretical rotation-vibration spectrum of thioformaldehyde

    International Nuclear Information System (INIS)

    Yachmenev, Andrey; Polyak, Iakov; Thiel, Walter

    2013-01-01

    We present a variational calculation of the first comprehensive T = 300 K rovibrational line list for thioformaldehyde, H 2 CS. It covers 41 809 rovibrational levels for states up to J max = 30 with vibrational band origins up to 5000 cm −1 and provides the energies and line intensities for 547 926 transitions from the ground vibrational state to these levels. It is based on our previously reported accurate ab initio potential energy surface and a newly calculated ab initio dipole moment surface. Minor empirical adjustments are made to the ab initio equilibrium geometry to reduce systematic errors in the predicted intra-band rotational energy levels. The rovibrational energy levels and transition intensities are computed variationally by using the methods implemented in the computer program TROVE. Transition wavelengths and intensities are found to be in excellent agreement with the available experimental data. The present calculations correctly reproduce the observed resonance effects, such as intensity borrowing, thus reflecting the high accuracy of the underlying ab initio surfaces. We report a detailed analysis of several vibrational bands, especially those complicated by strong Coriolis coupling, to facilitate future laboratory assignments

  13. Theoretical rotation-vibration spectrum of thioformaldehyde

    Science.gov (United States)

    Yachmenev, Andrey; Polyak, Iakov; Thiel, Walter

    2013-11-01

    We present a variational calculation of the first comprehensive T = 300 K rovibrational line list for thioformaldehyde, H2CS. It covers 41 809 rovibrational levels for states up to Jmax = 30 with vibrational band origins up to 5000 cm-1 and provides the energies and line intensities for 547 926 transitions from the ground vibrational state to these levels. It is based on our previously reported accurate ab initio potential energy surface and a newly calculated ab initio dipole moment surface. Minor empirical adjustments are made to the ab initio equilibrium geometry to reduce systematic errors in the predicted intra-band rotational energy levels. The rovibrational energy levels and transition intensities are computed variationally by using the methods implemented in the computer program TROVE. Transition wavelengths and intensities are found to be in excellent agreement with the available experimental data. The present calculations correctly reproduce the observed resonance effects, such as intensity borrowing, thus reflecting the high accuracy of the underlying ab initio surfaces. We report a detailed analysis of several vibrational bands, especially those complicated by strong Coriolis coupling, to facilitate future laboratory assignments.

  14. Theoretical rotation-vibration spectrum of thioformaldehyde

    Energy Technology Data Exchange (ETDEWEB)

    Yachmenev, Andrey [Department of Physics and Astronomy, University College London, London, WC1E 6BT (United Kingdom); Polyak, Iakov; Thiel, Walter [Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D–45470 Mülheim an der Ruhr (Germany)

    2013-11-28

    We present a variational calculation of the first comprehensive T = 300 K rovibrational line list for thioformaldehyde, H{sub 2}CS. It covers 41 809 rovibrational levels for states up to J{sub max} = 30 with vibrational band origins up to 5000 cm{sup −1} and provides the energies and line intensities for 547 926 transitions from the ground vibrational state to these levels. It is based on our previously reported accurate ab initio potential energy surface and a newly calculated ab initio dipole moment surface. Minor empirical adjustments are made to the ab initio equilibrium geometry to reduce systematic errors in the predicted intra-band rotational energy levels. The rovibrational energy levels and transition intensities are computed variationally by using the methods implemented in the computer program TROVE. Transition wavelengths and intensities are found to be in excellent agreement with the available experimental data. The present calculations correctly reproduce the observed resonance effects, such as intensity borrowing, thus reflecting the high accuracy of the underlying ab initio surfaces. We report a detailed analysis of several vibrational bands, especially those complicated by strong Coriolis coupling, to facilitate future laboratory assignments.

  15. Vibrational spectra and crystal lattice dynamics of hexahydrates of zinc potassium and ammonium sulfates

    Science.gov (United States)

    Barashkov, M. V.; Komyak, A. I.; Shashkov, S. N.

    2000-03-01

    The IR spectra and polarized Raman spectra of crystals of hexahydrates of zinc potassium and ammonium sulfates have been obtained experimentally at 93 K and at room temperature. The frequencies and modes of normal vibrations of the octahedral complex [Zn(H2O)6]2+ have been calculated. The assignment of the observed lines of the internal and external vibrations of the crystal cell has been made by calculations and by factor-group analysis.

  16. Strain and Vibration in Mesenchymal Stem Cells

    Directory of Open Access Journals (Sweden)

    Brooke McClarren

    2018-01-01

    Full Text Available Mesenchymal stem cells (MSCs are multipotent cells capable of differentiating into any mesenchymal tissue, including bone, cartilage, muscle, and fat. MSC differentiation can be influenced by a variety of stimuli, including environmental and mechanical stimulation, scaffold physical properties, or applied loads. Numerous studies have evaluated the effects of vibration or cyclic tensile strain on MSCs towards developing a mechanically based method of differentiation, but there is no consensus between studies and each investigation uses different culture conditions, which also influence MSC fate. Here we present an overview of the response of MSCs to vibration and cyclic tension, focusing on the effect of various culture conditions and strain or vibration parameters. Our review reveals that scaffold type (e.g., natural versus synthetic; 2D versus 3D can influence cell response to vibration and strain to the same degree as loading parameters. Hence, in the efforts to use mechanical loading as a reliable method to differentiate cells, scaffold selection is as important as method of loading.

  17. Resonance Raman assignment and evidence for noncoupling of individual 2- and 4-vinyl vibrational modes in a monomeric cyanomethemoglobin

    International Nuclear Information System (INIS)

    Gersonde, K.; Yu, N.T.; Lin, S.H.; Smith, K.M.; Parish, D.W.

    1989-01-01

    We have investigated the resonance Raman spectra of monomeric insect cyanomethemoglobins (CTT III and CTT IV) reconstituted with (1) protohemes IX selectively deuterated at the 4-vinyl as well as the 2,4-divinyls, (2) monovinyl-truncated hemes such as pemptoheme (2-hydrogen, 4-vinyl) and isopemptoheme (2-vinyl, 4-hydrogen), (3) symmetric hemes such as protoheme III (with 2- and 3-vinyls) and protoheme XIII (with 1- and 4-vinyls), and (4) hemes without 2- and 4-vinyls such as mesoheme IX, deuteroheme IX, 2,4-dimethyldeuteroheme IX, and 2,4-dibromodeuteroheme IX. Evidence is presented that the highly localized vinyl C = C stretching vibrations at the 2- and 4-positions of the heme in these cyanomet CTT hemoglobins are noncoupled and inequivalent; i.e., the 1631- and 1624-cm-1 lines have been assigned to 2-vinyl and 4-vinyl, respectively. The elimination of the 2-vinyl (in pemptoheme) or the 4-vinyl (in isopemptoheme) does not affect the C = C stretching frequency of the remaining vinyl. Furthermore, two low-frequency vinyl bending modes at 412 and 591 cm-1 exhibit greatly different resonance Raman intensities between 2-vinyl and 4-vinyl. The observed intensity at 412 cm-1 is primarily derived from 4-vinyl, whereas the 591-cm-1 line results exclusively from the 2-vinyl. Again, there is no significant coupling between 2-vinyl and 4-vinyl for these two bending modes

  18. Application of neural networks and neutron noise for diagnostics of reactor internals vibration

    International Nuclear Information System (INIS)

    Garis, N.S.; Pazsit, I.; Gloeckler, O.

    1995-01-01

    It has long been known that vibration of reactor internals, in particular excessive vibrations of control rods, can be detected via the neutron noise they induce. Noise measurements are actually suitable to determine important diagnostic parameters such as the location of the vibrating rod and the vibration amplitude. An algorithm was earlier elaborated for this purpose, which is based on inversion of the expression describing the neutron noise as a function of vibration parameters. This inversion procedure is nevertheless complicated and not always unique. It was investigated whether a properly trained neural network can perform the inversion more effectively. It was found that artificial neural networks can be trained effectively to perform vibration diagnostics from neutron noise data fast, effectively and reliably. The present paper gives a description of the development and use of the neural networks for purposes of vibration diagnostics

  19. Raman spectrum, quantum mechanical calculations and vibrational assignments of (95% alpha-TeO2/5% Sm2O3) glass.

    Science.gov (United States)

    Shaltout, I; Mohamed, Tarek A

    2007-06-01

    Chozen system of tellurite glasses doped with rare earth oxides (95% alpha-TeO(2)+5% Sm2O3) was prepared by melt quenching. Consequently, the Raman spectrum (150-1250 cm(-1)) of the modified tellurite have been recorded. As a continuation to our normal coordinate analysis, force constants and quantum mechanical (QM) calculations for tbp TeO4(4-) (triagonal bipyramid, C(2v)) and TeO(3+1); Te2O7(6-) (bridged tetrahedral), we have carried out ab initio frequency calculations for tpy TeO3(2-) (triagonal pyramidal, C(3v) and C(s)) and tp TeO3(2-) (triagonal planar, D(3h)) ions. The quantum mechanical calculations at the levels of RHF, B3LYP and MP2 allow confident vibrational assignments and structural identification in the binary oxide glass (95% alpha-TeO2 +5% Sm2O3). The dominant three-dimensional network structures in the modified glass are triagonal pyramidal TeO3 with minor features of short range distorted tbp TeO4 and bridged tetrahedral unit of TeO(3+1), leading to a structure of infinite chain. Therefore, alpha-TeO2/Sm2O3 (95/5%) glass experience structural changes from TeO4 (tbp); Te2O7 (TeO(3+1))-->TeO3 (tpy).

  20. Application of comparative vibrational spectroscopic and mechanistic studies in analysis of fisetin structure

    Science.gov (United States)

    Dimitrić Marković, Jasmina M.; Marković, Zoran S.; Milenković, Dejan; Jeremić, Svetlana

    2011-12-01

    This paper addresses experimental and theoretical research in fisetin (2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one) structure by means of experimental IR and Raman spectroscopies and mechanistic calculations. Density Functional Theory calculations, with M05-2X functional and the 6-311+G (2df, p) basis set implemented in the Gaussian 09 package, are performed with the aim to support molecular structure, vibrational bands' positions and their intensities. Potential energy distribution (PED) values and the description of the largest vibrational contributions to the normal modes are calculated. The most intense bands appear in the 1650-1500 cm -1 wavenumber region. This region involves a combination of the C dbnd O, C2 dbnd C3 and C-C stretching vibrational modes. Most of the bands in the 1500-1000 cm -1 range involve C-C stretching, O-C stretching and in-plane C-C-H, C-O-H, C-C-O and C-C-C bending vibrations of the rings. The region below 1000 cm -1 is characteristic to the combination of in plane C-C-C-H, H-C-C-H, C-C-C-C, C-C-O-C and out of plane O-C-C-C, C-C-O-C, C-C-C-C torsional modes. The Raman spectra of baicalein and quercetin were used for qualitative comparison with fisetin spectrum and verification of band assignments. The applied detailed vibrational spectral analysis and the assignments of the bands, proposed on the basis of fundamentals, reproduced the experimental results with high degree of accuracy.

  1. Questions about the reliability of recovery boilers of steel smelting units

    Energy Technology Data Exchange (ETDEWEB)

    Sazykin, Yu K; Mukhametzyanov, N K

    1979-01-01

    Because the main reason for failure of recovery boilers is contamination of the heating surfaces, the operational conditions of individual elements of boiler units, equipped with vibrational and pulsed cleaning are analyzed and the reliability of the cleaning systems in use today is evaluated. The recovery boilers from open hearth furnaces and two bath steel smelting units from the Magnitogorsk Metallurgic Combine were selected as the subjects of the study. It is established that the boiler heating surface cleaning system has a quite large number of failures. The vibrational cleaning readiness factor is rated at 0.9323 and that of the pulsed cleaning system, 0.9698. For the KU-100 recovery boilers with a mean productivity of 18-20 t/h, the losses caused by failures during operation with vibration and pulsed cleaning were 3,200 and 1,700 rubles per year, respectively. With reconstruction of the boilers, which is associated with an increase in their reliability, the vibration cleaning of the heating surface was replaced by pulsed cleaning.

  2. Torsional, Vibrational and Vibration-Torsional Levels in the S_{1} and Ground Cationic D_{0}^{+} States of Para-Fluorotoluene

    Science.gov (United States)

    Gardner, Adrian M.; Tuttle, William Duncan; Whalley, Laura E.; Claydon, Andrew; Carter, Joseph H.; Wright, Timothy G.

    2017-06-01

    The S_{1} electronic state and ground state of the cation of para-fluorotoluene (pFT) have been investigated using resonance-enhanced multiphoton ionization (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy. Here we focus on the low wavenumber region where a number of "pure" torsional, fundamental vibrational and vibration-torsional levels are expected; assignments of observed transitions are discussed, which are compared to results of published work on toluene (methylbenzene) from the Lawrance group. The similarity in the activity observed in the excitation spectrum of the two molecules is striking. A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, J. Chem. Phys., 145, 124307 (2016). J. R. Gascooke, E. A. Virgo, and W. D. Lawrance J. Chem. Phys., 143, 044313 (2015).

  3. Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations

    Science.gov (United States)

    Sert, Yusuf; Çırak, Çağrı; Ucun, Fatih

    2013-04-01

    In the present study, the experimental and theoretical harmonic and anharmonic vibrational frequencies of 4-chloro-3-nitrobenzonitrile were investigated. The experimental FT-IR (400-4000 cm-1) and μ-Raman spectra (100-4000 cm-1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) were calculated using ab initio Hartree Fock (HF), density functional B3LYP and M06-2X methods with 6-311++G(d,p) basis set by Gaussian 09 W program, for the first time. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. The theoretical optimized geometric parameters and vibrational frequencies were compared with the corresponding experimental data, and they were seen to be in a good agreement with each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies were found.

  4. A Joint Link and Channel Assignment Routing Scheme for Cognitive Radio Networks

    Directory of Open Access Journals (Sweden)

    H.S.Zhao

    2013-12-01

    Full Text Available Cognitive radio (CR is a promising technology that enables opportunistic utilization of the temporarily vacant spectrum to mitigate the spectrum scarcity in wireless communications. Since secondary users (SUs should vacate the channel in use immediately after detecting the reappearances of primary users (PUs in cognitive radio networks (CRNs, the route reliability is a distinctive challenge for routing in CRNs. Furthermore, the throughput requirement of an SU session should be satisfied and it is always preferable to select a route with less negative influence on other current or latish sessions. To account for the route reliability challenge, we study the joint link and channel assignment routing problem for CRNs. It is formulated in a form of integer nonlinear programming (INLP, which is NP-hard, with the objective of minimizing the interference of a new route to other routes while providing route reliability and throughput guarantee. An on-demand route discovery algorithm is proposed to find reliable candidate paths, while a joint link and channel assignment routing algorithm with sequentially-connected-link coordination is proposed to choose the near-optimal route for improving the route reliability and minimizing negative influence. Simulation results demonstrate that the proposed algorithm achieves considerable improvement over existing schemes in both route reliability and throughput.

  5. Design of Wind Turbine Vibration Monitoring System

    Directory of Open Access Journals (Sweden)

    Shoubin Wang

    2013-04-01

    Full Text Available In order to ensure safety of wind turbine operation and to reduce the occurrence of faults as well as to improve the reliability of wind turbine operation, a vibration monitoring for wind turbine is developed. In this paper, it analyses the enlargement of all the parts of the structure and the working mechanism, the research method of wind turbine operation vibration is introduced, with the focus being the use of the sensor principle. Finally the hardware design and software of this system is introduced and the main function of this system is described, which realizes condition monitoring of the work state of wind turbines.

  6. Vibration energy harvesting system for railroad safety based on running vehicles

    International Nuclear Information System (INIS)

    Tianchen, Yuan; Jian, Yang; Ruigang, Song; Xiaowei, Liu

    2014-01-01

    This research is focused on energy harvesting from track vibration in order to provide power for the wireless sensors which monitor railroad health. Considering that track vibration has vibration energy, a new method is proposed in the paper to harvest energy based on the piezoelectric effect. The piezoelectric generator called drum transducer is the key part for track vibration energy harvesting. The model of drum transducer is established and the simulation results show that it can generate 100 mW in real track situation. In addition, an experiment rig is developed and its vibration model is also established. The simulation and experiment results show that peak open-circuit voltage of piezoelectric generator is about 50–70 V at the full load of the train. The whole track vibration energy harvesting system is analytically modeled, numerically simulated, and experimentally realized to demonstrate the feasibility and the reliability of the theoretical model. This paper is the theoretical basis of harvesting, recovering and recycling of the track vibration energy for track safety. (paper)

  7. Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5

    International Nuclear Information System (INIS)

    Huang, Yu-Hsuan; Li, Jun; Guo, Hua; Lee, Yuan-Pern

    2015-01-01

    The simplest Criegee intermediate CH 2 OO is important in atmospheric chemistry. It has been detected in the reaction of CH 2 I + O 2 with various spectral methods, including infrared spectroscopy; infrared absorption of CH 2 OO was recorded at resolution 1.0 cm −1 in our laboratory. We have improved our system and recorded the infrared spectrum of CH 2 OO at resolution 0.25 cm −1 with rotational structures partially resolved. Observed vibrational wavenumbers and relative intensities are improved from those of the previous report and agree well with those predicted with quantum-mechanical calculations using the MULTIMODE method on an accurate potential energy surface. Observed rotational structures also agree with the simulated spectra according to theoretical predictions. In addition to derivation of critical vibrational and rotational parameters of the vibrationally excited states to confirm the assignments, the spectrum with improved resolution provides new assignments for bands 2ν 9 at 1234.2 cm −1 and ν 5 at 1213.3 cm −1 ; some hot bands and combination bands are also tentatively assigned

  8. Research on the design of fixture for motor vibration test

    Science.gov (United States)

    Shen, W. X.; Ma, W. S.; Zhang, L. W.

    2018-03-01

    The vibration reliability of the new energy automobile motor plays a very important role in driving safety, so it is very important to test the vibration durability of the motor. In the vibration test process, the fixture is very important, simulated road spectrum signal vibration can be transmitted without distortion to the motor through the fixture, fixture design directly affect the result of vibration endurance test. On the basis of new energy electric vehicle motor concrete structure, Two fixture design and fixture installation schemes for lateral cantilever type and base bearing type are put forward in this article, the selection of material, weighting process, middle alignment process and manufacturing process are summarized.The modal analysis and frequency response calculation of the fixture are carried out in this design, combine with influence caused by fixture height and structure profile on response frequency, the response frequency of each order of the fixture is calculated, then ultimately achieve the purpose of guiding the design.

  9. Vibrational spectra of 1-hydroxy- and 1,4-dihydroxyanthraquinones and their magnesium chelate complexes. I. Isotopic effects of OH/OD and 24Mg/26Mg substitutions

    International Nuclear Information System (INIS)

    Kirszenbaum, Marek

    1977-01-01

    The vibrational spectra of 1-hydroxy- and 1,4-dihydroxyanthraquinones, their deuterated derivatives and their 24 Mg/ 26 Mg chelate complexes are examined in the spectral region 1700-250cm -1 . The study of deuteroxyanthraquinones allow an assignment of the OH/OD group vibrations and show the multiple coupling of the delta OH vibrations with the vCC and delta CH quinonic vibrations. These results lead to a modification of some spectral assignments of magnesium chelate complexe of 1-OH-AQ. The isotopic 24 Mg/ 26 Mg substitution enables the chelate ring vibrations which depend on the motions of the magnesium atom to be observed. The vC=O and vC-O vibrations frequencies of magnesium chelate complexe [Mg(1,4-O 2 -AQ)]sub(n) show an important difference of the chelate ring electronic state in comparison of those of 1,4-(OH) 2 -AQ. The discussion of the infrared and Raman spectra in the Mg-O vibrations region lead to the conclusion that the configuration of oxygens arround the magnesium is tetrahedral [fr

  10. Structural health monitoring with a wireless vibration sensor network

    NARCIS (Netherlands)

    Basten, T.G.H.; Sas, P; Schiphorst, F.B.A.; Jonckheere, S.; Moens, D.

    2012-01-01

    Advanced maintenance strategies for infrastructure assets such as bridges or off shore wind turbines require actual and reliable information of the maintenance status. Structural health monitoring based on vibration sensing can help in supplying the input needed for structural health monitoring

  11. Quantitative infrared and near-infrared gas-phase spectra for pyridine: Absolute intensities and vibrational assignments

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, T. J.; Aker, P. M.; Scharko, N. K.; Williams, S. D.

    2018-02-01

    Using vetted methods for generating quantitative absorption reference data, broadband infrared and near-infrared spectra (total range 11,000 – 600 cm-1) of pyridine vapor were recorded at 0.1 cm-1 spectral resolution, with the analyte thermostatted at 298 K and pressure-broadened to 1 atmosphere using N2 ballast gas. The quantitative spectrum is reported for the first time, and we have re-assigned some of the 27 fundamental modes. Fundamental assignments were confirmed by IR vapor phase band shapes, FT-Raman measurements and comparison with previous analyses. For the 760-Torr vapor-phase IR data several bands show resolved peaks (Q-branches). We have also assigned for the first time hundreds of combination and overtone bands in the mid- and near-IR. All assignments were made via comparison to theoretically calculated frequencies and intensities: The frequencies were computed with Gaussian03 with the anharmonic option, using MP2 and the ccpvtz basis set. The intensities were taken from a VSCF calculation in GAMESS using Hartree-Fock (for overtones and combination bands) or from the harmonic MP2 for fundamentals. Overtone and combination band harmonic and anharmonic frequencies, as well as intensities were also calculated using the CFOUR program. It is seen in the NIR spectrum near 6000 cm-1 that the very strong bands arise from the C-H first overtones, whereas only much weaker bands are observed for combination bands of C-H stretching modes. Certain features are discussed for their potential utility for atmospheric monitoring.

  12. Vibration control and monitoring in nuclear power plants

    International Nuclear Information System (INIS)

    Theodor, P.

    1989-01-01

    Nuclear Power Plants are operated with a computer system support. The computer system for a nuclear power plant is designed to reliably monitor plant parameters and perform a series of operations and calculations designed to allow increased plant operation efficiency. Rotating machinery surveillance methods for the recognition of damage are particularly important in Nuclear Power Plants. Deviation of the vibration behavior from normal conditions is an indicator of the development of incipient faults and can be reliably recognized by the use of vibration monitoring systems. Machinery Condition Monitoring is defined as a method or methods of surveillance designed to recognize changes from a norm and is also a warning or it initiates an automatic shutdown when the changes exceed limiting values or safety limits. This paper reports that it is important to distinguish between surveillance and diagnostics. Whereas the former is necessary for protection, the latter is not generally required until it becomes necessary to identify the source of a known anomaly

  13. WAVELETS AND PRINCIPAL COMPONENT ANALYSIS METHOD FOR VIBRATION MONITORING OF ROTATING MACHINERY

    OpenAIRE

    Bendjama, Hocine; S. Boucherit, Mohamad

    2017-01-01

    Fault diagnosis is playing today a crucial role in industrial systems. To improve reliability, safety and efficiency advanced monitoring methods have become increasingly important for many systems. The vibration analysis method is essential in improving condition monitoring and fault diagnosis of rotating machinery. Effective utilization of vibration signals depends upon effectiveness of applied signal processing techniques. In this paper, fault diagnosis is performed using a com...

  14. CO 2 laser photoacoustic spectra and vibrational modes of heroin ...

    Indian Academy of Sciences (India)

    Heroin, morphine and narcotine are very large molecules having 50, 40 and 53 atoms respectively. Moderately high resolution photoacoustic (PA) spectra have been recorded in 9.6 m and 10.6 m regions of CO2 laser. It is very difficult to assign the modes of vibrations for PA bands by comparison with conventional low ...

  15. Gear noise, vibration, and diagnostic studies at NASA Lewis Research Center

    Science.gov (United States)

    Zakrajsek, J. J.; Oswald, F. B.; Townsend, D. P.; Coy, J. J.

    1990-01-01

    The NASA Lewis Research Center and the U.S. Army Aviation Systems Command are involved in a joint research program to advance the technology of rotorcraft transmissions. This program consists of analytical as well as experimental efforts to achieve the overall goals of reducing weight, noise, and vibration, while increasing life and reliability. Recent analytical activities are highlighted in the areas of gear noise, vibration, and diagnostics performed in-house and through NASA and U.S. Army sponsored grants and contracts. These activities include studies of gear tooth profiles to reduce transmission error and vibration as well as gear housing and rotordynamic modeling to reduce structural vibration and transmission and noise radiation, and basic research into current gear failure diagnostic methodologies. Results of these activities are presented along with an overview of near-term research plans in the gear noise, vibration, and diagnostics area.

  16. Non-destructive Reliability Evaluation of Electronic Device by ESPI

    International Nuclear Information System (INIS)

    Yoon, Sung Un; Kim, Koung Suk; Kang, Ki Soo; Jo, Seon Hyung

    2001-01-01

    This paper propose electronic speckle pattern interferometry(ESPI) for reliability evaluation of electronic device. Especially, vibration problem in a fan of air conditioner, motor of washing machine and etc. is important factor to design the devices. But, it is difficult to apply previous method, accelerometer to the devices with complex geometry. ESPI, non-contact measurement technique applies a commercial fan of air conditioner to vibration analysis. Vibration mode shapes, natural frequency and the range of the frequency are decided and compared with that of FEM analysis. In mechanical deign of new product, ESPI adds weak point of previous method to supply effective design information

  17. Vibrational spectral investigation on xanthine and its derivatives—theophylline, caffeine and theobromine

    Science.gov (United States)

    Gunasekaran, S.; Sankari, G.; Ponnusamy, S.

    2005-01-01

    A normal coordinate analysis has been carried out on four compounds having a similar ring structure with different side chain substitutions, which are xanthine, caffeine, theophylline, and theobromine. Xanthine is chemically known as 2,6-dihydroxy purine. Caffeine, theophylline and theobromine are methylated xanthines. Considering the methyl groups as point mass, the number of normal modes of vibrations can be distributed as Γ vib=27 A'+12 A″ based on C s point group symmetry associated with the structures. In the present work 15 A' and 12 A″ normal modes are considered. A new set of orthonormal symmetry co-ordinates have been constructed. Wilson's F- G matrix method has been adopted for the normal coordinate analysis. A satisfactory vibrational band assignment has been made by employing the FTIR and FT Raman spectra of the compounds. The potential energy distribution is calculated with the arrived values of the force constants and hence the agreement of the frequency assignment has been checked.

  18. Vibrational spectral investigation on xanthine and its derivatives--theophylline, caffeine and theobromine.

    Science.gov (United States)

    Gunasekaran, S; Sankari, G; Ponnusamy, S

    2005-01-01

    A normal coordinate analysis has been carried out on four compounds having a similar ring structure with different side chain substitutions, which are xanthine, caffeine, theophylline, and theobromine. Xanthine is chemically known as 2,6-dihydroxy purine. Caffeine, theophylline and theobromine are methylated xanthines. Considering the methyl groups as point mass, the number of normal modes of vibrations can be distributed as Gamma(vib) = 27 A' + 12 A" based on C(s) point group symmetry associated with the structures. In the present work 15 A' and 12 A'' normal modes are considered. A new set of orthonormal symmetry co-ordinates have been constructed. Wilson's F-G matrix method has been adopted for the normal coordinate analysis. A satisfactory vibrational band assignment has been made by employing the FTIR and FT Raman spectra of the compounds. The potential energy distribution is calculated with the arrived values of the force constants and hence the agreement of the frequency assignment has been checked.

  19. Vibrational Spectroscopies and Chemometry for Nondestructive Identification and Differentiation of Painting Binders

    Directory of Open Access Journals (Sweden)

    Serena Carlesi

    2017-01-01

    Full Text Available A comprehensive dataset of vibrational spectra of different natural organic binding media is presented and discussed. The binding media were applied on a glass substrate and analyzed after three months of natural ageing. The combination of Raman and FT-NIR spectroscopies allows for an improved identification of these materials as Raman technique is more informative about the skeletal vibrations, while FT-NIR spectroscopy is more sensitive to the substituents and polar groups. The experimental results are initially discussed in the framework of current spectral assignment. Then, multivariate analysis (PCA is applied leading to differentiation among the samples. The two major principal components allow for a complete separation of the different classes of organic materials. Further differentiation within the same class is possible thanks to the secondary components. The loadings obtained from PCA are discussed on the basis of the spectral assignment leading to clear understanding of the physical basis of this differentiation process.

  20. Reliability of dynamic systems under limited information.

    Energy Technology Data Exchange (ETDEWEB)

    Field, Richard V., Jr. (.,; .); Grigoriu, Mircea

    2006-09-01

    A method is developed for reliability analysis of dynamic systems under limited information. The available information includes one or more samples of the system output; any known information on features of the output can be used if available. The method is based on the theory of non-Gaussian translation processes and is shown to be particularly suitable for problems of practical interest. For illustration, we apply the proposed method to a series of simple example problems and compare with results given by traditional statistical estimators in order to establish the accuracy of the method. It is demonstrated that the method delivers accurate results for the case of linear and nonlinear dynamic systems, and can be applied to analyze experimental data and/or mathematical model outputs. Two complex applications of direct interest to Sandia are also considered. First, we apply the proposed method to assess design reliability of a MEMS inertial switch. Second, we consider re-entry body (RB) component vibration response during normal re-entry, where the objective is to estimate the time-dependent probability of component failure. This last application is directly relevant to re-entry random vibration analysis at Sandia, and may provide insights on test-based and/or model-based qualification of weapon components for random vibration environments.

  1. Application of comparative vibrational spectroscopic and mechanistic studies in analysis of fisetin structure.

    Science.gov (United States)

    Dimitrić Marković, Jasmina M; Marković, Zoran S; Milenković, Dejan; Jeremić, Svetlana

    2011-12-01

    This paper addresses experimental and theoretical research in fisetin (2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one) structure by means of experimental IR and Raman spectroscopies and mechanistic calculations. Density Functional Theory calculations, with M05-2X functional and the 6-311+G (2df, p) basis set implemented in the Gaussian 09 package, are performed with the aim to support molecular structure, vibrational bands' positions and their intensities. Potential energy distribution (PED) values and the description of the largest vibrational contributions to the normal modes are calculated. The most intense bands appear in the 1650-1500 cm(-1) wavenumber region. This region involves a combination of the CO, C2C3 and C-C stretching vibrational modes. Most of the bands in the 1500-1000 cm(-1) range involve C-C stretching, O-C stretching and in-plane C-C-H, C-O-H, C-C-O and C-C-C bending vibrations of the rings. The region below 1000 cm(-1) is characteristic to the combination of in plane C-C-C-H, H-C-C-H, C-C-C-C, C-C-O-C and out of plane O-C-C-C, C-C-O-C, C-C-C-C torsional modes. The Raman spectra of baicalein and quercetin were used for qualitative comparison with fisetin spectrum and verification of band assignments. The applied detailed vibrational spectral analysis and the assignments of the bands, proposed on the basis of fundamentals, reproduced the experimental results with high degree of accuracy. Copyright © 2011 Elsevier B.V. All rights reserved.

  2. Vibration aging of diesel-engine mounted electrical equipment

    International Nuclear Information System (INIS)

    Lee, B.J.; Morton, W.C.

    1994-01-01

    The Emergency Diesel Generator (EDG) in a Nuclear Power Plant is considered to be a component which is essential to safe plant operation. Failures of auxiliary equipment directly mounted on the EDG creates costly repairs, and compromises the engine's availability and reliability. Although IEEE-323 requires addressing of safety-related components due to mechanically induced vibration, very few guidelines exist in the nuclear industry to show how this may be accounted for. Most engine vendors rely on the empirical experience data as the basis of their evaluation for vibration. Upgrade of engine controls, addition of monitoring devices and other engine modifications require design and installation of new equipment to be mounted directly on the engine. This necessitates the evaluation for engine-induced vibration which is considered to be one of the most severe design parameters. This paper discusses the engine vibration characteristics, and the acquisition of extensive field vibration data on the diesel engine under operating conditions. The data is then used to develop life cycle vibration qualification test profiles that can be applied with confidence in a laboratory environment to qualify engine-mounted equipment. The intent is to validate a product's ability to survive under worst case, extended service on-engine conditions. This paper describes the procedures and approaches used to achieve those goals, and provides developed profile examples and test results

  3. Wind Turbine Bearing Diagnostics Based on Vibration Monitoring

    Science.gov (United States)

    Kadhim, H. T.; Mahmood, F. H.; Resen, A. K.

    2018-05-01

    Reliability maintenance can be considered as an accurate condition monitoring system which increasing beneficial and decreasing the cost production of wind energy. Supporting low friction of wind turbine rotating shaft is the main task of rolling element bearing and it is the main part that suffers from failure. The rolling failures elements have an economic impact and may lead to malfunctions and catastrophic failures. This paper concentrates on the vibration monitoring as a Non-Destructive Technique for assessing and demonstrates the feasibility of vibration monitoring for small wind turbine bearing defects based on LabVIEW software. Many bearings defects were created, such as inner race defect, outer race defect, and ball spin defect. The spectra data were recorded and compared with the theoretical results. The accelerometer with 4331 NI USB DAQ was utilized to acquiring, analyzed, and recorded. The experimental results were showed the vibration technique is suitable for diagnostic the defects that will be occurred in the small wind turbine bearings and developing a fault in the bearing which leads to increasing the vibration amplitude or peaks in the spectrum.

  4. A study of vibrational spectra and investigations of charge transfer and chemical bonding features of 2-chloro benzimidazole based on DFT computations

    Science.gov (United States)

    Muthunatesan, S.; Ragavendran, V.

    2015-01-01

    Benzimidazoles are bicyclic heteroatomic molecules. Polycyclic heteroatomic molecules have extensive coupling of different modes leading to strong coupling of force constants associated with the various chemical bonds of the molecules. To carry out a detailed vibrational spectroscopic analysis of such a bicyclic heteroatomic molecule, FT-IR and FT-Raman spectra of 2-chloro benzimidazole (CBZ) have been recorded in the condensed phase. Density Functional Theory calculations in the B3LYP/6-31G* level have been carried out to determine the optimized geometry and vibrational frequencies. In order to obtain a close agreement between theoretical and observed frequencies and hence to perform a reliable assignment, the theoretical DFT force field was transformed from Cartesian to local symmetry co-ordinates and then scaled empirically using SQM methodology. The SQM treatment resulted in a RMS deviation of 9.4 cm-1. For visual comparison, the observed and calculated spectra are presented on a common wavenumber scale. From the NBO analysis, the electron density (ED) charge transfers in the σ* and π* antibonding orbitals and second order delocalization energies E(2) confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. The calculated Homo and Lumo energies show that charge transfer occurs within the molecule. The results obtained from the vibrational, NBO and HOMO-LUMO analyses have been properly tabulated.

  5. SEM, EDS and vibrational spectroscopic study of dawsonite NaAl(CO3)(OH)2

    Science.gov (United States)

    Frost, Ray L.; López, Andrés; Scholz, Ricardo; Sampaio, Ney Pinheiro; de Oliveira, Fernando A. N.

    2015-02-01

    In this work we have studied the mineral dawsonite by using a combination of scanning electron microscopy with EDS and vibrational spectroscopy. Single crystals show an acicular habitus forming aggregates with a rosette shape. The chemical analysis shows a phase composed of C, Al, and Na. Two distinct Raman bands at 1091 and 1068 cm-1 are assigned to the CO32- ν1 symmetric stretching mode. Multiple bands are observed in both the Raman and infrared spectra in the antisymmetric stretching and bending regions showing that the symmetry of the carbonate anion is reduced and in all probability the carbonate anions are not equivalent in the dawsonite structure. Multiple OH deformation vibrations centred upon 950 cm-1 in both the Raman and infrared spectra show that the OH units in the dawsonite structure are non-equivalent. Raman bands observed at 3250, 3283 and 3295 cm-1 are assigned to OH stretching vibrations. The position of these bands indicates strong hydrogen bonding of the OH units in the dawsonite structure. The formation of the mineral dawsonite has the potential to offer a mechanism for the geosequestration of greenhouse gases.

  6. Vibrational studies of Thyroxine hormone: Comparative study with quantum chemical calculations

    Science.gov (United States)

    Borah, Mukunda Madhab; Devi, Th. Gomti

    2017-11-01

    The FTIR and Raman techniques have been used to record spectra of Thyroxine. The stable geometrical parameters and vibrational wave numbers were calculated based on potential energy distribution (PED) using vibrational energy distribution analysis (VEDA) program. The vibrational energies are assigned to monomer, chain dimer and cyclic dimers of this molecule using the basis set B3LYP/LANL2DZ. The computational scaled frequencies are in good agreements with the experimental results. The study is extended to calculate the HOMO-LUMO energy gap, Molecular Electrostatic Potential (MEP) surface, hardness (η), chemical potential (μ), Global electrophilicity index (ω) and different thermo dynamical properties of Thyroxine in different states. The calculated HOMO-LUMO energies show the charge transfer occurs within the molecule. The calculated Natural bond orbital (NBO) analysis confirms the presence of intra-molecular charge transfer as well as the hydrogen bonding interaction.

  7. A Computer Assisted Procedure of Assignments of Vibration-Rotation Bands of Asymmetric and Symmetric Top Molecules

    Czech Academy of Sciences Publication Activity Database

    Urban, Štěpán; Behrend, J.; Pracna, Petr

    2004-01-01

    Roč. 690, - (2004), s. 105-114 ISSN 0022-2860 R&D Projects: GA MŠk ME 445; GA ČR GA203/01/1274 Institutional research plan: CEZ:AV0Z4040901 Keywords : assigments of vibration-rotation spectra * combination differences * Loomis-Wood algorithm Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.200, year: 2004

  8. FEM Updating of Tall Buildings using Ambient Vibration Data

    DEFF Research Database (Denmark)

    Ventura, C. E.; Lord, J. F.; Turek, M.

    2005-01-01

    Ambient vibration testing is the most economical non-destructive testing method to acquire vibration data from large civil engineering structures. The purpose of this paper is to demonstrate how ambient vibration Modal Identification techniques can be effectively used with Model Updating tools...... to develop reliable finite element models of large civil engineering structures. A fifteen story and a forty-eight story reinforced concrete buildings are used as case studies for this purpose. The dynamic characteristics of interest for this study were the first few lateral and torsional natural frequencies...... the information provided in the design documentation of the building. Different parameters of the model were then modified using an automated procedure to improve the correlation between measured and calculated modal parameters. Careful attention was placed to the selection of the parameters to be modified...

  9. Vibrational spectrum of solid picene (C22H14)

    International Nuclear Information System (INIS)

    Joseph, B; Capitani, F; Boeri, L; Malavasi, L; Artioli, G A; Protti, S; Fagnoni, M; Albini, A; Marini, C; Baldassarre, L; Perucchi, A; Lupi, S; Postorino, P; Dore, P

    2012-01-01

    Recently, Mitsuhashi et al observed superconductivity with a transition temperature up to 18 K in potassium doped picene (C 22 H 14 ), a polycyclic aromatic hydrocarbon compound (Mitsuhashi et al 2010 Nature 464 76). Theoretical analysis indicates the importance of electron-phonon coupling in the superconducting mechanisms of these systems, with different emphasis on inter- and intra-molecular vibrations, depending on the approximations used. Here we present a combined experimental and ab initio study of the Raman and infrared spectrum of undoped solid picene, which allows us to unambiguously assign the vibrational modes. This combined study enables the identification of the modes which couple strongly to electrons and hence can play an important role in the superconducting properties of the doped samples. (fast track communication)

  10. Enhanced vibration diagnostics using vibration signature analysis

    International Nuclear Information System (INIS)

    Ahmed, S.; Shehzad, K.; Zahoor, Y.; Mahmood, A.; Bibi, A.

    2001-01-01

    Symptoms will appear in equipment, as well as in human beings. when 'suffering from sickness. Symptoms of abnormality in equipment are vibration, noise, deformation, temperature, pressure, electric current, crack, wearing, leakage etc. these are called modes of failure. If the mode of failure is vibration then the vibration signature analysis can be effectively used in order to diagnose the machinery problems. Much valuable information is contained within these vibration 'Spectra' or 'Signatures' but is only of use if the analyst can unlock its 'Secrets'. This paper documents a vibration problem in the motor of a centrifugal pump (Type ETA). It focuses mainly on the roll of modern vibration monitoring system in problem analysis. The problem experienced was the motor unstability and noise due to high vibration. Using enhanced vibration signature data, the problem was analyzed. which suggested that the rotor eccentricity was the cause of excessive noise and vibration in the motor. In conclusion, advanced electronic monitoring and diagnostic systems provide powerful information for machine's condition assessment and problem analysis. Appropriate interpretation and use of this information is important for accurate and effective vibration analysis. (author)

  11. Vibrational Analysis of (SCN)2 and the Transient (SCN)2

    DEFF Research Database (Denmark)

    Jensen, N. H.; Wilbrandt, Robert Walter; Pagsberg, Palle Bjørn

    1979-01-01

    The vibrational spectra of thiocyanogen and the transient radical anion (SCN)2− are interpreted in detail through molecular orbital and normal coordinate calculations. The results support the assignment of (SCN)2− to the anion of thiocyanogen and indicate a substantial weakening of the S–S and C......≡N bonds in going from the parent molecule to its radical anion....

  12. Separation and estimation of muscle spindle and tension receptor populations by vibration of the biceps muscle in the frog.

    Science.gov (United States)

    Giszter, S F; Kargo, W J

    2002-10-01

    Frog spinal cord reflex behaviors have been used to test the idea of spinal primitives. We have suggested a significant role for proprioception in regulation of primitives. However the in vivo behavior of spindle and golgi tendon receptors in frogs in response to vibration are not well described and the proportions of these proprioceptors are not established. In this study, we examine the selectivity of muscle vibration in the spinal frog. The aim of the study was (1) to examine how hindlimb muscle spindles and GTO receptors are activated by muscle vibration and (2) to estimate the relative numbers of GTO receptors and spindle afferents in a selected muscle, for comparison with the mammal. Single muscle afferents from the biceps muscle were identified in the dorsal roots. These were tested in response to biceps vibration, intramuscular stimulation and biceps nerve stimulation. Biceps units were categorized into two types: First, spindle afferents which had a high conduction velocity (approximately 20-30 m/s), responded reliably (were entrained 1:1) to muscle vibration, and exhibited distinct pauses to shortening muscle contractions. Second, golgi tendon organ afferents, which had a lower conduction velocity (approximately 10-20 m/s), responded less reliably to muscle vibration at physiologic muscle lengths, but responded more reliably at extended lengths or with background muscle contraction, and exhibited distinct bursts to shortening muscle contractions. Vibration responses of these units were tested with and without muscle curarization. Ensemble (suction electrode) recordings from the dorsal roots were used to provide rough estimates of the proportions of the two muscle afferent types.

  13. Vibration control, machine diagnostics

    International Nuclear Information System (INIS)

    1990-01-01

    Changing vibrations announce damage in the form of wear or cracks on components of, e.g., engine rotors, pumps, power plant turbo sets, rounding-up tools, or marine diesel engines. Therefore, machine diagnostics use frequency analyses, system tests, trend analyses as well as expert systems to localize or estimate the causes of these damages and malfunctions. Data acquisistion, including not only sensors, but also reliable and redundant data processing systems and analyzing systems, play an important role. The lectures pertaining to the data base are covered in detail. (DG) [de

  14. On the bi-dimensional variational decomposition applied to nonstationary vibration signals for rolling bearing crack detection in coal cutters

    International Nuclear Information System (INIS)

    Jiang, Yu; Li, Zhixiong; Zhang, Chao; Peng, Z; Hu, Chao

    2016-01-01

    This work aims to detect rolling bearing cracks using a variational approach. An original method that appropriately incorporates bi-dimensional variational mode decomposition (BVMD) into discriminant diffusion maps (DDM) is proposed to analyze the nonstationary vibration signals recorded from the cracked rolling bearings in coal cutters. The advantage of this variational decomposition based diffusion map (VDDM) method in comparison to the current DDM is that the intrinsic vibration mode of the crack can be filtered into a limited bandwidth in the frequency domain with an estimated central frequency, thus discarding the interference signal components in the vibration signals and significantly improving the crack detection performance. In addition, the VDDM is able to simultaneously process two-channel sensor signals to reduce information leakage. Experimental validation using rolling bearing crack vibration signals demonstrates that the VDDM separated the raw signals into four intrinsic modes, including one roller vibration mode, one roller cage vibration mode, one inner race vibration mode, and one outer race vibration mode. Hence, reliable fault features were extracted from the outer race vibration mode, and satisfactory crack identification performance was achieved. The comparison between the proposed VDDM and existing approaches indicated that the VDDM method was more efficient and reliable for crack detection in coal cutter rolling bearings. As an effective catalyst for rolling bearing crack detection, this newly proposed method is useful for practical applications. (paper)

  15. A New Method of Reliability Evaluation Based on Wavelet Information Entropy for Equipment Condition Identification

    International Nuclear Information System (INIS)

    He, Z J; Zhang, X L; Chen, X F

    2012-01-01

    Aiming at reliability evaluation of condition identification of mechanical equipment, it is necessary to analyze condition monitoring information. A new method of reliability evaluation based on wavelet information entropy extracted from vibration signals of mechanical equipment is proposed. The method is quite different from traditional reliability evaluation models that are dependent on probability statistics analysis of large number sample data. The vibration signals of mechanical equipment were analyzed by means of second generation wavelet package (SGWP). We take relative energy in each frequency band of decomposed signal that equals a percentage of the whole signal energy as probability. Normalized information entropy (IE) is obtained based on the relative energy to describe uncertainty of a system instead of probability. The reliability degree is transformed by the normalized wavelet information entropy. A successful application has been achieved to evaluate the assembled quality reliability for a kind of dismountable disk-drum aero-engine. The reliability degree indicates the assembled quality satisfactorily.

  16. Structure, vibrations, and hydrogen bond parameters of dibenzotetraaza[14]annulene

    Science.gov (United States)

    Gawinkowski, S.; Eilmes, J.; Waluk, J.

    2010-07-01

    Geometry and vibrational structure of dibenzo[ b, i][1,4,8,11]tetraaza[14]annulene (TAA) have been studied using infrared and Raman spectroscopy combined with quantum-chemical calculations. The assignments were proposed for 106 out of the total of 108 TAA vibrations, based on comparison of the theoretical predictions with the experimental data obtained for the parent molecule and its isotopomer in which the NH protons were replaced by deuterons. Reassignments were suggesteded for the NH stretching and out-of-plane vibrations. The values of the parameters of the intramolecular NH⋯N hydrogen bonds were analysed in comparison with the corresponding data for porphyrin and porphycene, molecules with the same structural motif, a cavity composed of four nitrogen atoms and two inner protons. Both experiment and calculations suggest that the molecule of TAA is not planar and is present in a trans tautomeric form, with the protons located on the opposite nitrogen atoms.

  17. Structural Reliability Methods for Wind Power Converter System Component Reliability Assessment

    DEFF Research Database (Denmark)

    Kostandyan, Erik; Sørensen, John Dalsgaard

    2012-01-01

    Wind power converter systems are essential subsystems in both off-shore and on-shore wind turbines. It is the main interface between generator and grid connection. This system is affected by numerous stresses where the main contributors might be defined as vibration and temperature loadings....... The temperature variations induce time-varying stresses and thereby fatigue loads. A probabilistic model is used to model fatigue failure for an electrical component in the power converter system. This model is based on a linear damage accumulation and physics of failure approaches, where a failure criterion...... is defined by the threshold model. The attention is focused on crack propagation in solder joints of electrical components due to the temperature loadings. Structural Reliability approaches are used to incorporate model, physical and statistical uncertainties. Reliability estimation by means of structural...

  18. Flow-induced vibration analysis of heat exchanger and steam generator designs

    International Nuclear Information System (INIS)

    Pettigrew, M.J.; Sylvestre, Y.; Campagna, A.O.

    1977-08-01

    Tube and shell heat exchange components such as steam generators, heat exchangers and condensers are essential parts of CANDU nuclear power stations. Excessive flow-induced vibration may cause tube failures by fatigue or more likely by fretting-wear. Such failures may lead to station shutdowns that are very undesirable in terms of lost production. Hence good performance and reliability dictate a thorough flow-induced vibration analysis at the design stage. This paper presents our approach and techniques in this respect. (author)

  19. Molecular Structure And Vibrational Frequencies of 2,3,4 Nitro anilines By Hartree-Fock And Density Functional Theory Calculations

    International Nuclear Information System (INIS)

    Sert, Y.

    2008-01-01

    The optimised molecular structure, vibrational frequencies and corresponding vibrational assignments of 2-, 3- and 4- nitro anilines have been calculated using the Hartree-Fock (HF) and density functional methods (B3LYP) with 6-311++G (d, p) basis set. The calculations were adapted to the C S symmetries of all the molecules. The calculated vibrational frequencies and geometric parameters (bond lengths and bond angles) were seen to be in good agreement with the experimental data. The comparison of the experimental and theoretical results showed that the HF method is superior to the B3LYP method for both the vibrational frequencies and geometric parameters

  20. Flexible taxonomic assignment of ambiguous sequencing reads

    Directory of Open Access Journals (Sweden)

    Jansson Jesper

    2011-01-01

    Full Text Available Abstract Background To characterize the diversity of bacterial populations in metagenomic studies, sequencing reads need to be accurately assigned to taxonomic units in a given reference taxonomy. Reads that cannot be reliably assigned to a unique leaf in the taxonomy (ambiguous reads are typically assigned to the lowest common ancestor of the set of species that match it. This introduces a potentially severe error in the estimation of bacteria present in the sample due to false positives, since all species in the subtree rooted at the ancestor are implicitly assigned to the read even though many of them may not match it. Results We present a method that maps each read to a node in the taxonomy that minimizes a penalty score while balancing the relevance of precision and recall in the assignment through a parameter q. This mapping can be obtained in time linear in the number of matching sequences, because LCA queries to the reference taxonomy take constant time. When applied to six different metagenomic datasets, our algorithm produces different taxonomic distributions depending on whether coverage or precision is maximized. Including information on the quality of the reads reduces the number of unassigned reads but increases the number of ambiguous reads, stressing the relevance of our method. Finally, two measures of performance are described and results with a set of artificially generated datasets are discussed. Conclusions The assignment strategy of sequencing reads introduced in this paper is a versatile and a quick method to study bacterial communities. The bacterial composition of the analyzed samples can vary significantly depending on how ambiguous reads are assigned depending on the value of the q parameter. Validation of our results in an artificial dataset confirm that a combination of values of q produces the most accurate results.

  1. Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations

    Science.gov (United States)

    Priya, Y. Sushma; Rao, K. Ramachandra; Chalapathi, P. V.; Satyavani, M.; Veeraiah, A.

    2017-09-01

    The vibrational and electronic properties of 2-coumaranone have been reported in the ground state using experimental techniques (FT-IR, FT-Raman, UV spectra and fluorescence microscopic imaging) and density functional theory (DFT) employing B3LYP correlation with the 6-31G(d, p) basis set. The theoretically reported optimized parameters, vibrational frequencies etc., were compared with the experimental values, which yielded good concurrence between the experimental and calculated values. The assignments of the vibrational spectra were done with the help of normal co-ordinate analysis (NCA) following the Scaled Quantum Mechanical Force Field(SQMFF) methodology. The whole assignments of fundamental modes were based on the potential energy distribution (PED) matrix. The electric dipole moment and the first order hyperpolarizability of the 2-coumaranone have been computed using quantum mechanical calculations. NBO and HOMO, LUMO analyses have been carried out. UV spectrum of 2-coumaranone was recorded in the region 100-300 nm and compared with the theoretical UV spectrum using TD-DFT and SAC-CI methods by which a good agreement is observed. Fluorescence microscopic imaging study reflects that the compound fluoresces in the green-yellow region.

  2. The qualitative assessment of pneumatic actuators operation in terms of vibration criteria

    Science.gov (United States)

    Hetmanczyk, M. P.; Michalski, P.

    2015-11-01

    The work quality of pneumatic actuators can be assessed in terms of multiple criteria. In the case of complex systems with pneumatic actuators retained at end positions (with occurrence of piston impact in cylinder covers) the vibration criteria constitute the most reliable indicators. The paper presents an impact assessment on the operating condition of the rodless pneumatic cylinder regarding to selected vibrational symptoms. On the basis of performed analysis the authors had shown meaningful premises allowing an evaluation of the performance and tuning of end position damping piston movement with usage the most common diagnostic tools (portable vibration analyzers). The presented method is useful in tuning of parameters in industrial conditions.

  3. Intermediate energy electron impact excitation of composite vibrational modes in phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Lopes, M. C. A.; Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física ‘Gleb Wataghin,’ Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, C.P. 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, C.P. 19044, 81531-990 Curitiba, Paraná (Brazil); Silva, G. B. da [Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-05-21

    We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C{sub 6}H{sub 5}OH). The measurements were carried out at incident electron energies in the range 15–40 eV and for scattered-electron angles in the range 10–90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C{sub 6}H{sub 5}OH molecule by electron impact.

  4. The Kinetics of Chirality Assignment in Catalytic Single Walled Carbon Nanotube Growth

    OpenAIRE

    Xu, Ziwei; Yan, Tianying; Ding, Feng

    2014-01-01

    Chirality-selected single-walled carbon nanotubes (SWCNTs) ensure a great potential of building ~1 nm sized electronics. However, the reliable method for chirality-selected SWCNT is still pending. Here we present a theoretical study on the SWCNT's chirality assignment and control during the catalytic growth. This study reveals that the chirality of a SWCNT is determined by the kinetic incorporation of the pentagon formation during SWCNT nucleation. Therefore, chirality is randomly assigned on...

  5. Vibrational spectroscopic investigation of p-, m- and o-nitrobenzonitrile by using Hartree-Fock and density functional theory

    Science.gov (United States)

    Sert, Y.; Ucun, F.

    2013-08-01

    In the present work, the theoretical vibrational spectra of p-, m- and o-nitrobenzonitrile molecules have been analyzed. The harmonic vibrational frequencies and geometric parameters (bond lengths and bond angles) of these molecules have been calculated using ab initio Hartree-Fock and density functional theory methods with 6-311++G(d,p) basis set by Gaussian 03 W, for the first time. Assignments of the vibrational frequencies have been performed by potential energy distribution by using VEDA 4 program. The optimized geometric parameters and harmonic vibrational frequencies have been compared with the corresponding experimental data and seen to be in a good agreement with each other. Also, the highest occupied molecular orbital and lowest unoccupied molecular orbital energies have been obtained.

  6. Automated backbone assignment of labeled proteins using the threshold accepting algorithm

    International Nuclear Information System (INIS)

    Leutner, Michael; Gschwind, Ruth M.; Liermann, Jens; Schwarz, Christian; Gemmecker, Gerd; Kessler, Horst

    1998-01-01

    The sequential assignment of backbone resonances is the first step in the structure determination of proteins by heteronuclear NMR. For larger proteins, an assignment strategy based on proton side-chain information is no longer suitable for the use in an automated procedure. Our program PASTA (Protein ASsignment by Threshold Accepting) is therefore designed to partially or fully automate the sequential assignment of proteins, based on the analysis of NMR backbone resonances plus C β information. In order to overcome the problems caused by peak overlap and missing signals in an automated assignment process, PASTA uses threshold accepting, a combinatorial optimization strategy, which is superior to simulated annealing due to generally faster convergence and better solutions. The reliability of this algorithm is shown by reproducing the complete sequential backbone assignment of several proteins from published NMR data. The robustness of the algorithm against misassigned signals, noise, spectral overlap and missing peaks is shown by repeating the assignment with reduced sequential information and increased chemical shift tolerances. The performance of the program on real data is finally demonstrated with automatically picked peak lists of human nonpancreatic synovial phospholipase A 2 , a protein with 124 residues

  7. Calculation of ground vibration spectra from heavy military vehicles

    Science.gov (United States)

    Krylov, V. V.; Pickup, S.; McNuff, J.

    2010-07-01

    The demand for reliable autonomous systems capable to detect and identify heavy military vehicles becomes an important issue for UN peacekeeping forces in the current delicate political climate. A promising method of detection and identification is the one using the information extracted from ground vibration spectra generated by heavy military vehicles, often termed as their seismic signatures. This paper presents the results of the theoretical investigation of ground vibration spectra generated by heavy military vehicles, such as tanks and armed personnel carriers. A simple quarter car model is considered to identify the resulting dynamic forces applied from a vehicle to the ground. Then the obtained analytical expressions for vehicle dynamic forces are used for calculations of generated ground vibrations, predominantly Rayleigh surface waves, using Green's function method. A comparison of the obtained theoretical results with the published experimental data shows that analytical techniques based on the simplified quarter car vehicle model are capable of producing ground vibration spectra of heavy military vehicles that reproduce basic properties of experimental spectra.

  8. Vibrational Investigations of Silver-Doped Hydroxyapatite with Antibacterial Properties

    Directory of Open Access Journals (Sweden)

    Carmen Steluta Ciobanu

    2013-01-01

    Full Text Available Silver-doped hydroxyapatite (Ag:HAp was obtained by coprecipitation method. Transmission electron microscopy (TEM, infrared, and Raman analysis confirmed the development of Ag:HAp with good crystal structure. Transmission electron microscopy analysis showed an uniform ellipsoidal morphology with particles from 5 nm to 15 nm. The main vibrational bands characteristic to HAp were identified. The bands assigned to phosphate vibrational group were highlighted in infrared and Raman spectra. The most intense peak Raman spectrum is the narrow band observed at 960 cm−1. In this article Ag:HAp-NPs were also evaluated for their antimicrobial activities against gram-positive, gram-negative, and fungal strains. The specific antimicrobial activity revealed by the qualitative assay demonstrates that our compounds are interacting differently with the microbial targets.

  9. Identification of Damping from Structural Vibrations

    DEFF Research Database (Denmark)

    Bajric, Anela

    Reliable predictions of the dynamic loads and the lifetime of structures are influenced by the limited accuracy concerning the level of structural damping. The mechanisms of damping cannot be derived analytically from first principles, and in the design of structures the damping is therefore based...... on experience or estimated from measurements. This thesis consists of an extended summary and three papers which focus on enhanced methods for identification of damping from random struc-tural vibrations. The developed methods are validated by stochastic simulations, experimental data and full-scale measurements...... which are representative of the vibrations in small and large-scale structures. The first part of the thesis presents an automated procedure which is suitable for estimation of the natural frequencies and the modal damping ratios from random response of structures. The method can be incorporated within...

  10. RELIABILITY OF LENTICULAR EXPANSION COMPENSATORS

    Directory of Open Access Journals (Sweden)

    Gabriel BURLACU,

    2011-11-01

    Full Text Available Axial lenticular compensators are made to take over the longitudinal heat expansion, shock , vibration and noise, made elastic connections for piping systems. In order to have a long life for installations it is necessary that all elements, including lenticular compensators, have a good reliability. This desire can be did by technology of manufactoring and assembly of compensators, the material for lenses and by maintenance.of compensator

  11. Reliability analysis of prestressed concrete containment structures

    International Nuclear Information System (INIS)

    Jiang, J.; Zhao, Y.; Sun, J.

    1993-01-01

    The reliability analysis of prestressed concrete containment structures subjected to combinations of static and dynamic loads with consideration of uncertainties of structural and load parameters is presented. Limit state probabilities for given parameters are calculated using the procedure developed at BNL, while that with consideration of parameter uncertainties are calculated by a fast integration for time variant structural reliability. The limit state surface of the prestressed concrete containment is constructed directly incorporating the prestress. The sensitivities of the Choleskey decomposition matrix and the natural vibration character are calculated by simplified procedures. (author)

  12. A generic method for assignment of reliability scores applied to solvent accessibility predictions

    DEFF Research Database (Denmark)

    Petersen, Bent; Petersen, Thomas Nordahl; Andersen, Pernille

    2009-01-01

    : The performance of the neural networks was evaluated on a commonly used set of sequences known as the CB513 set. An overall Pearson's correlation coefficient of 0.72 was obtained, which is comparable to the performance of the currently best public available method, Real-SPINE. Both methods associate a reliability...... comparing the Pearson's correlation coefficient for the upper 20% of predictions sorted according to reliability. For this subset, values of 0.79 and 0.74 are obtained using our and the compared method, respectively. This tendency is true for any selected subset....

  13. A REVIEW OF VIBRATION MACHINE DIAGNOSTICS BY USING ARTIFICIAL INTELLIGENCE METHODS

    Directory of Open Access Journals (Sweden)

    Grover Zurita

    2016-09-01

    Full Text Available In the industry, gears and rolling bearings failures are one of the foremost causes of breakdown in rotating machines, reducing availability time of the production and resulting in costly systems downtime. Therefore, there are growing demands for vibration condition based monitoring of gears and bearings, and any method in order to improve the effectiveness, reliability, and accuracy of the bearing faults diagnosis ought to be evaluated. In order to perform machine diagnosis efficiently, researchers have extensively investigated different advanced digital signal processing techniques and artificial intelligence methods to accurately extract fault characteristics from vibration signals. The main goal of this article is to present the state-of-the-art development in vibration analysis for machine diagnosis based on artificial intelligence methods.

  14. Study by vibration spectrometry of addition compounds of boron fluoride with some alkyl oxides, sulphides and selenides

    International Nuclear Information System (INIS)

    Le Calve, Jacques

    1966-01-01

    This research thesis reports the study of the vibration spectrum of some addition compounds of boron fluoride with alkyl oxides, sulphides and selenides. The objective was first the assignment of spectra, and then the study of the influence of the formation of a coordination bound on boron fluoride vibrations and on that of its donor. The author also tried to define correlations between spectrum and structures, and studied the effects of physical status and solvents [fr

  15. Adsorption and Vibrational Study of Folic Acid on Gold Nanopillar Structures Using Surface-enhanced Raman Scattering Spectroscopy

    DEFF Research Database (Denmark)

    Castillo, John J.; Rindzevicius, Tomas; Rozo, Ciro E.

    2015-01-01

    on the nanopillars within the high electromagnetic field areas. The adsorption behaviour of folic acid and the band assignment of the main vibrations together with the optimized geometry of folic acid and folic acid in the presence of a cluster of 10 gold atoms were assessed using the density functional theory (B3......LYP(6-31G(d))) and the scalar relativistic effective core potential with a double-zeta basis set (LANL2DZ). The vibrations obtained from the solid-state folic acid and the folic acid on a gold cluster were in accordance with those observed experimentally. The analysis of the main vibrations indicated...

  16. Application of Adaptive Noise Cancellation for Anti-Vibration in Yield Monitor

    Directory of Open Access Journals (Sweden)

    Yan LI

    2014-04-01

    Full Text Available In the process of grain harvest, yield monitor system acquires real-time spatial distribution information of crop yield to provide important basis of decision-making for subsequent assignments of precision agriculture. The measurement accuracy has been seriously affected by Combine working vibration. Based on an innovative test platform of wheat combine harvester for yield monitor, well simulate the working vibration at the field situation; impact-based grain flow sensor with the structure of dual-parallel-beams as test terminals and using the NI (National Instrument data acquisition card to acquire signals; grain impacted frequency as fundamental frequency to process harmonic extraction, and for extracted signals, applied the improved LMS adaptive algorithm to interference cancellation, aim to eliminate interference cased by working vibration. The comparative experiment show that the maximum relative error less than 2 % under the proposed method and proved that the proposed algorithm in this paper is effective.

  17. The effects of vibration-reducing gloves on finger vibration

    Science.gov (United States)

    Welcome, Daniel E.; Dong, Ren G.; Xu, Xueyan S.; Warren, Christopher; McDowell, Thomas W.

    2015-01-01

    Vibration-reducing (VR) gloves have been used to reduce the hand-transmitted vibration exposures from machines and powered hand tools but their effectiveness remains unclear, especially for finger protection. The objectives of this study are to determine whether VR gloves can attenuate the vibration transmitted to the fingers and to enhance the understanding of the mechanisms of how these gloves work. Seven adult male subjects participated in the experiment. The fixed factors evaluated include hand force (four levels), glove condition (gel-filled, air bladder, no gloves), and location of the finger vibration measurement. A 3-D laser vibrometer was used to measure the vibrations on the fingers with and without wearing a glove on a 3-D hand-arm vibration test system. This study finds that the effect of VR gloves on the finger vibration depends on not only the gloves but also their influence on the distribution of the finger contact stiffness and the grip effort. As a result, the gloves increase the vibration in the fingertip area but marginally reduce the vibration in the proximal area at some frequencies below 100 Hz. On average, the gloves reduce the vibration of the entire fingers by less than 3% at frequencies below 80 Hz but increase at frequencies from 80 to 400 Hz. At higher frequencies, the gel-filled glove is more effective at reducing the finger vibration than the air bladder-filled glove. The implications of these findings are discussed. Relevance to industry Prolonged, intensive exposure to hand-transmitted vibration can cause hand-arm vibration syndrome. Vibration-reducing gloves have been used as an alternative approach to reduce the vibration exposure. However, their effectiveness for reducing finger-transmitted vibrations remains unclear. This study enhanced the understanding of the glove effects on finger vibration and provided useful information on the effectiveness of typical VR gloves at reducing the vibration transmitted to the fingers. The new

  18. Non-linear vibrational modes in biomolecules: A periodic orbits description

    International Nuclear Information System (INIS)

    Kampanarakis, Alexandros; Farantos, Stavros C.; Daskalakis, Vangelis; Varotsis, Constantinos

    2012-01-01

    Graphical abstract: Vibrational frequency shifts in Fe IV = O species of the active site of cytochrome c oxidase are attributed to changes in the surrounding Coulomb field. Periodic orbits analysis assists to find the most anharmonic modes in model biomolecules. Highlights: ► Periodic orbits are extended to multidimensional potentials of biomolecules. ► Highly anharmonic vibrational modes and center-saddle bifurcations are detected. ► Vibrational frequencies shifts in Oxoferryl species of CcO are observed. - Abstract: The vibrational harmonic normal modes of a molecule, which are valid at energies close to an equilibrium point (a minimum, maximum or saddle of the potential energy surface), are extended by periodic orbits to high energies where anharmonicity and coupling of the degrees of freedom are significant. In this way the assignment of the spectra, and thus the extraction of dynamics in highly excited molecules, can be obtained. New vibrational modes emanating from bifurcations of periodic orbits and long living localized trajectories signal the birth and localization of new quantum states. In this article we review and further study non-linear vibrational modes for model biomolecules such as alanine dipeptide and the active site in the oxoferryl oxidation state of the enzyme cytochrome c oxidase. We locate periodic orbits which exhibit high anhamonicity and lead to center-saddle bifurcations. These modes are associated to an isomerization process in alanine dipeptide and to frequency shifts in the oxoferryl observed by modifying the Coulomb field around the Imidazole–Fe IV = O species.

  19. A modified strategy for sequence specific assignment of protein NMR spectra based on amino acid type selective experiments

    International Nuclear Information System (INIS)

    Schubert, Mario; Labudde, Dirk; Leitner, Dietmar; Oschkinat, Hartmut; Schmieder, Peter

    2005-01-01

    The determination of the three-dimensional structure of a protein or the study of protein-ligand interactions requires the assignment of all relevant nuclei as an initial step. This is nowadays almost exclusively performed using triple-resonance experiments. The conventional strategy utilizes one or more pairs of three dimensional spectra to obtain redundant information and thus reliable assignments. Here, a modified strategy for obtaining sequence specific assignments based on two dimensional amino acid type selective triple-resonance experiments is proposed. These experiments can be recorded with good resolution in a relatively short time. They provide very specific and redundant information, in particular on sequential connectivities, that drastically increases the ease and reliability of the assignment procedure, done either manually or in an automated fashion. The new strategy is demonstrated with the protein domain PB1 from yeast CDC24p

  20. Vibrational and electronic spectra of 2-nitrobenzanthrone: An experimental and computational study

    Science.gov (United States)

    Onchoke, Kefa K.; Chaudhry, Saad N.; Ojeda, Jorge J.

    2016-01-01

    The environmental pollutant 2-nitrobenzanthrone (2-NBA) poses human health hazards, and is formed by atmospheric reactions of NOX gases with atmospheric particulates. Though its mutagenic effects have been studied in biological systems, its comprehensive spectroscopic experimental data are scarce. Thus, vibrational and optical spectroscopic analysis (UV-Vis, and fluorescence) of 2-NBA was studied using both experimental and density functional theory employing B3LYP method with 6-311 + G(d,p) basis set. The scaled theoretical vibrational frequencies show good agreement to experiment to within 5 cm- 1 and NBA, respectively. On the basis of normal coordinate analysis complete assignments of harmonic experimental infrared and Raman bands are made. The influence of the nitro group substitution upon the benzanthrone structure and symmetric CH vibrations, and electronic spectra is noted. This study is useful for the development of spectroscopy-mutagenicity relationships in nitrated polycyclic aromatic hydrocarbons.

  1. Millimeter-wave and Submillimeter-wave Spectra of Aminoacetonitrile in the Three Lowest Vibrational Excited States

    Energy Technology Data Exchange (ETDEWEB)

    Esposti, Claudio Degli; Dore, Luca; Melosso, Mattia [Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, via Selmi 2, I-40126 Bologna (Italy); Kobayashi, Kaori [Department of Physics, Faculty of Science, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Fujita, Chiho; Ozeki, Hiroyuki, E-mail: ozeki@env.sci.toho-u.ac.jp [Department of Environmental Science, Faculty of Science, Toho University, 2-2-1 Miyama, Funabashi, 274-8510 (Japan)

    2017-06-01

    It is important to study possible precursors of amino acids such as glycine to enable future searches in interstellar space. Aminoacetonitrile (NH{sub 2}CH{sub 2}CN) is one of the most feasible molecules for this purpose. This molecule was already detected toward Sgr B2(N). Aminoacetonitrile has a few low-lying vibrational excited states, and transitions within these states may be found in space. In this study, the pure-rotational transitions in the three lowest vibrational states in the 80–450 GHz range have been assigned and analyzed. It was found to be very important to include Coriolis coupling between the two lowest vibrational fundamentals, while the third one was unperturbed. The partition function was evaluated considering these new results.

  2. Power peaking nuclear reliability factors

    International Nuclear Information System (INIS)

    Hassan, H.A.; Pegram, J.W.; Mays, C.W.; Romano, J.J.; Woods, J.J.; Warren, H.D.

    1977-11-01

    The Calculational Nuclear Reliability Factor (CNRF) assigned to the limiting power density calculated in reactor design has been determined. The CNRF is presented as a function of the relative power density of the fuel assembly and its radial local. In addition, the Measurement Nuclear Reliability Factor (MNRF) for the measured peak hot pellet power in the core has been evaluated. This MNRF is also presented as a function of the relative power density and radial local within the fuel assembly

  3. Vibrationally elastic and inelastic scattering of electrons by hydrogen sulphide molecules

    International Nuclear Information System (INIS)

    Nishimura, Tamio; Itikawa, Yukikazu

    1996-01-01

    Vibrationally elastic and inelastic cross sections (differential and integral ones) are calculated for electron scattering from hydrogen sulphide (H 2 S) at the collision energies 3-30 eV. Vibrational excitation of all three fundamental modes is considered. The calculation is based on the rotationally sudden and a vibrationally close-coupling method using an ab initio electrostatic potential. The effects of electron exchange and target polarization are taken into account approximately. The resulting cross sections are compared with the experimental data available. The present differential cross sections (DCS) for the elastic scattering reproduce the experimental data well. For the inelastic scattering, the present DCS is too small at 3 eV, compared with the experimental data. This is probably due to a shape resonance, which the present calculation would not be sufficiently accurate to produce. In the higher energy region (i.e. above about 10 eV), the present vibrational cross section should be more reliable, but no experimental data are available so far. (Author)

  4. Structure and vibrational properties of oxyhalides of Vanadium

    International Nuclear Information System (INIS)

    Allaf, A.

    2010-01-01

    We study the structure and vibrational modes of a wide range of oxyhalides of vanadium (VOX n Y m ; X, Y) = F, Cl, Br, I; n, m = 0-3, n + m≤ 3). The results agree well with experimental results for VOCl 3 and VOF 3 and suggest reassignment of the experimentally observed VOF to VOF 2 . We provide new assignments for various experimental modes, identifying several intermediates (VOBr 2 , VOBr) and mixed structures (e.g., VOCl 2 Br), and discuss formation trends and stabilities.(author)

  5. Ab-initio study of structural, vibrational and optical properties of solid oxidizers

    Energy Technology Data Exchange (ETDEWEB)

    Yedukondalu, N.; Vaitheeswaran, G., E-mail: gvsp@uohyd.ernet.in

    2016-09-15

    We report the structural, elastic and vibrational properties of five ionic-molecular solid oxidizers MNO{sub 3} (M = Li, Na, K) and MClO{sub 3} (M = Na, K). By treating long range electron-correlation effects, dispersion corrected method leads to more accurate predictions of structural properties and phase stability of KNO{sub 3} polymorphs. The obtained elastic moduli show soft nature of these materials and are consistent with Ultrasonic Pulse Echo measurements. We made a complete assignment of vibrational modes which are in good accord with available experimental results. From calculated IR and Raman spectra, it is found that the vibrational frequencies show a red-shift from Li → Na → K (Na → K) and N → Cl for nitrates (chlorates) due to increase in mass of metal and non-metal atoms, respectively. The calculated electronic structure using recently developed Tran-Blaha modified Becke-Johnson potential show that the materials are wide band gap insulators with predominant ionic bonding between M{sup +} (metal) and NO{sub 3}{sup −}/ClO{sub 3}{sup −} ions and covalent bonding (N−O and Cl−O) within nitrate and chlorate anionic group. From the calculated optical spectra, we observe that electric-dipole transitions are due to nitrate/chlorate group below 20 eV and cationic transitions occur above 20 eV. The calculated reflectivity spectra are consistent with the available experimental measurements. - Highlights: • Ground state properties with inclusion of dispersion correction method. • Elastic constants and mechanical properties. • Vibrational spectra and their complete assignment. • Raman and IR spectra. • Electronic structure and optical properties using TB-mBJ potential.

  6. Active Blade Vibration Control Being Developed and Tested

    Science.gov (United States)

    Johnson, Dexter

    2003-01-01

    Gas turbine engines are currently being designed to have increased performance, lower weight and manufacturing costs, and higher reliability. Consequently, turbomachinery components, such as turbine and compressor blades, have designs that are susceptible to new vibration problems and eventual in-service failure due to high-cycle fatigue. To address this problem, researchers at the NASA Glenn Research Center are developing and testing innovative active blade vibration control concepts. Preliminary results of using an active blade vibration control system, involving a rotor supported by an active magnetic bearing in Glenn's Dynamic Spin Rig, indicate promising results (see the photograph). Active blade vibration control was achieved using feedback of blade strain gauge signals within the magnetic bearing control loop. The vibration amplitude was reduced substantially (see the graphs). Also, vibration amplitude amplification was demonstrated; this could be used to enhance structural mode identification, if desired. These results were for a nonrotating two-bladed disk. Tests for rotating blades are planned. Current and future active blade vibration control research is planned to use a fully magnetically suspended rotor and smart materials. For the fully magnetically suspended rotor work, three magnetic bearings (two radial and one axial) will be used as actuators instead of one magnetic bearing. This will allow additional degrees of freedom to be used for control. For the smart materials work, control effectors located on and off the blade will be considered. Piezoelectric materials will be considered for on-the-blade actuation, and actuator placement on a stator vane, or other nearby structure, will be investigated for off-the-blade actuation. Initial work will focus on determining the feasibility of these methods by performing basic analysis and simple experiments involving feedback control.

  7. Vibrational and orientational dynamics of water in aqueous hydroxide solutions.

    Science.gov (United States)

    Hunger, Johannes; Liu, Liyuan; Tielrooij, Klaas-Jan; Bonn, Mischa; Bakker, Huib

    2011-09-28

    We report the vibrational and orientational dynamics of water molecules in isotopically diluted NaOH and NaOD solutions using polarization-resolved femtosecond vibrational spectroscopy and terahertz time-domain dielectric relaxation measurements. We observe a speed-up of the vibrational relaxation of the O-D stretching vibration of HDO molecules outside the first hydration shell of OH(-) from 1.7 ± 0.2 ps for neat water to 1.0 ± 0.2 ps for a solution of 5 M NaOH in HDO:H(2)O. For the O-H vibration of HDO molecules outside the first hydration shell of OD(-), we observe a similar speed-up from 750 ± 50 fs to 600 ± 50 fs for a solution of 6 M NaOD in HDO:D(2)O. The acceleration of the decay is assigned to fluctuations in the energy levels of the HDO molecules due to charge transfer events and charge fluctuations. The reorientation dynamics of water molecules outside the first hydration shell are observed to show the same time constant of 2.5 ± 0.2 ps as in bulk liquid water, indicating that there is no long range effect of the hydroxide ion on the hydrogen-bond structure of liquid water. The terahertz dielectric relaxation experiments show that the transfer of the hydroxide ion through liquid water involves the simultaneous motion of ~7 surrounding water molecules, considerably less than previously reported for the proton. © 2011 American Institute of Physics

  8. Raman study of vibrational dynamics of aminopropylsilanetriol in gas phase

    Science.gov (United States)

    Volovšek, V.; Dananić, V.; Bistričić, L.; Movre Šapić, I.; Furić, K.

    2014-01-01

    Raman spectrum of aminopropylsilanetriol (APST) in gas phase has been recorded at room temperature in macro chamber utilizing two-mirror technique over the sample tube. Unlike predominantly trans molecular conformation in condensed phase, the spectra of vapor show that the molecules are solely in gauche conformation with intramolecular hydrogen bond N⋯Hsbnd O which reduces the molecular energy in respect to trans conformation by 0.152 eV. The assignment of the molecular spectra based on the DFT calculation is presented. The strong vibrational bands at 354 cm-1, 588 cm-1 and 3022 cm-1 are proposed for verifying the existence of the ring like, hydrogen bonded structure. Special attention was devoted to the high frequency region, where hydrogen bond vibrations are coupled to stretchings of amino and silanol groups.

  9. Effects of vibration training in reducing risk of slip-related falls among young adults with obesity.

    Science.gov (United States)

    Yang, Feng; Munoz, Jose; Han, Long-Zhu; Yang, Fei

    2017-05-24

    This study examined the effects of controlled whole-body vibration training on reducing risk of slip-related falls in people with obesity. Twenty-three young adults with obesity were randomly assigned into either the vibration or placebo group. The vibration and placebo groups respectively received 6-week vibration and placebo training on a side-alternating vibration platform. Before and after the training, the isometric knee extensors strength capacity was measured for the two groups. Both groups were also exposed to a standardized slip induced by a treadmill during gait prior to and following the training. Dynamic stability and fall incidences responding to the slip were also assessed. The results indicated that vibration training significantly increased the muscle strength and improved dynamic stability control at recovery touchdown after the slip occurrence. The improved dynamic stability could be resulted from the enhanced trunk segment movement control, which may be attributable to the strength increment caused by the vibration training. The decline of the fall rates from the pre-training slip to the post-training one was greater among the vibration group than the placebo group (45% vs. 25%). Vibration-based training could be a promising alternative or additional modality to active exercise-based fall prevention programs for people with obesity. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Pain control in orthodontics using a micropulse vibration device: A randomized clinical trial.

    Science.gov (United States)

    Lobre, Wendy D; Callegari, Brent J; Gardner, Gary; Marsh, Curtis M; Bush, Anneke C; Dunn, William J

    2016-07-01

    To investigate the relationship between a micropulse vibration device and pain perception during orthodontic treatment. This study was a parallel group, randomized clinical trial. A total of 58 patients meeting eligibility criteria were assigned using block allocation to one of two groups: an experimental group using the vibration device or a control group (n  =  29 for each group). Patients used the device for 20 minutes daily. Patients rated pain intensity on a visual analog scale at appropriate intervals during the weeks after the separator or archwire appointment. Data were analyzed using repeated measures analysis of variance at α  =  .05. During the 4-month test period, significant differences between the micropulse vibration device group and the control group for overall pain (P  =  .002) and biting pain (P  =  .003) were identified. The authors observed that perceived pain was highest at the beginning of the month, following archwire adjustment. The micropulse vibration device significantly lowered the pain scores for overall pain and biting pain during the 4-month study period.

  11. Vibration based blind identification of bearing failures for autonomous wireless sensor nodes

    NARCIS (Netherlands)

    Sanchez Ramirez, Andrea; Loendersloot, Richard; Tinga, Tiedo; Bregon, A.; Daigle, M.J.

    2014-01-01

    Despite all the attention received by maintainers, undetected roller bearings failures are still a major source of concern in relation with reliability losses and high maintenance costs. Because of that, bearing condition assessment through vibration monitoring remains an intensive topic of

  12. An Efficient Method of Vibration Diagnostics For Rotating Machinery Using a Decision Tree

    Directory of Open Access Journals (Sweden)

    Bo Suk Yang

    2000-01-01

    Full Text Available This paper describes an efficient method to automatize vibration diagnosis for rotating machinery using a decision tree, which is applicable to vibration diagnosis expert system. Decision tree is a widely known formalism for expressing classification knowledge and has been used successfully in many diverse areas such as character recognition, medical diagnosis, and expert systems, etc. In order to build a decision tree for vibration diagnosis, we have to define classes and attributes. A set of cases based on past experiences is also needed. This training set is inducted using a result-cause matrix newly developed in the present work instead of using a conventionally implemented cause-result matrix. This method was applied to diagnostics for various cases taken from published work. It is found that the present method predicts causes of the abnormal vibration for test cases with high reliability.

  13. Multipole induced splitting of metal-cage vibrations in crystalline endohedral D2d-M2@C84 dimetallofullerenes.

    Science.gov (United States)

    Krause, M; Popov, V N; Inakuma, M; Tagmatarchis, N; Shinohara, H; Georgi, P; Dunsch, L; Kuzmany, H

    2004-01-22

    Metal-carbon cage vibrations of crystalline endohedral D2d-M2@C84 (M=Sc,Y,Dy) dimetallofullerenes were analyzed by temperature dependent Raman scattering and a dynamical force field model. Three groups of metal-carbon cage modes were found at energies of 35-200 cm(-1) and assigned to metal-cage stretching and deformation vibrations. They exhibit a textbook example for the splitting of molecular vibrations in a crystal field. Induced dipole-dipole and quadrupole-quadrupole interactions account quantitatively for the observed mode splitting. Based on the metal-cage vibrational structure it is demonstrated that D2d-Y2@C84 dimetallofullerene retains a monoclinic crystal structure up to 550 K and undergoes a transition from a disordered to an ordered orientational state at a temperature of approximately 150 K.

  14. Vibration Spectrum Analysis for Indicating Damage on Turbine and Steam Generator Amurang Unit 1

    Directory of Open Access Journals (Sweden)

    Beny Cahyono

    2017-12-01

    Full Text Available Maintenance on machines is a mandatory asset management activity to maintain asset reliability in order to reduce losses due to failure. 89% of defects have random failure mode, the proper maintenance method is predictive maintenance. Predictive maintenance object in this research is Steam Generator Amurang Unit 1, which is predictive maintenance is done through condition monitoring in the form of vibration analysis. The conducting vibration analysis on Amurang Unit 1 Steam Generator is because vibration analysis is very effective on rotating objects. Vibration analysis is predicting the damage based on the vibration spectrum, where the vibration spectrum is the result of separating time-based vibrations and simplifying them into vibrations based on their frequency domain. The transformation of time-domain-wave into frequency-domain-wave is using the application of FFT, namely AMS Machinery. The measurement of vibration value is done on turbine bearings and steam generator of Unit 1 Amurang using Turbine Supervisory Instrument and CSI 2600 instrument. The result of this research indicates that vibration spectrum from Unit 1 Amurang Power Plant indicating that there is rotating looseness, even though the vibration value does not require the Unit 1 Amurang Power Plant to stop operating (shut down. This rotating looseness, at some point, can produce some indications that similar with the unbalance. In order to avoid more severe vibrations, it is necessary to do inspection on the bearings in the Amurang Unit 1 Power Plant.

  15. Full-Dimensional Quantum Calculations of Vibrational Levels of NH4(+) and Isotopomers on An Accurate Ab Initio Potential Energy Surface.

    Science.gov (United States)

    Yu, Hua-Gen; Han, Huixian; Guo, Hua

    2016-04-14

    Vibrational energy levels of the ammonium cation (NH4(+)) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH4(+) and ND4(+) exhibit a polyad structure, characterized by a collective quantum number P = 2(v1 + v3) + v2 + v4. The low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm(-1).

  16. PARAssign-paramagnetic NMR assignments of protein nuclei on the basis of pseudocontact shifts

    Energy Technology Data Exchange (ETDEWEB)

    Skinner, Simon P., E-mail: skinnersp@chem.leidenuniv.nl [Leiden University, Gorlaeus Laboratories, Leiden Institute of Chemistry (Netherlands); Moshev, Mois, E-mail: mois@monomon.me [Leiden University, Leiden Institute of Advanced Computer Science (Netherlands); Hass, Mathias A. S., E-mail: hassmas@chem.leidenuniv.nl; Ubbink, Marcellus, E-mail: m.ubbink@chem.leidenuniv.nl [Leiden University, Gorlaeus Laboratories, Leiden Institute of Chemistry (Netherlands)

    2013-04-15

    The use of paramagnetic NMR data for the refinement of structures of proteins and protein complexes is widespread. However, the power of paramagnetism for protein assignment has not yet been fully exploited. PARAssign is software that uses pseudocontact shift data derived from several paramagnetic centers attached to the protein to obtain amide and methyl assignments. The ability of PARAssign to perform assignment when the positions of the paramagnetic centers are known and unknown is demonstrated. PARAssign has been tested using synthetic data for methyl assignment of a 47 kDa protein, and using both synthetic and experimental data for amide assignment of a 14 kDa protein. The complex fitting space involved in such an assignment procedure necessitates that good starting conditions are found, both regarding placement and strength of paramagnetic centers. These starting conditions are obtained through automated tensor placement and user-defined tensor parameters. The results presented herein demonstrate that PARAssign is able to successfully perform resonance assignment in large systems with a high degree of reliability. This software provides a method for obtaining the assignments of large systems, which may previously have been unassignable, by using 2D NMR spectral data and a known protein structure.

  17. Qualification of engine-mounted components due to operational vibration

    International Nuclear Information System (INIS)

    Lee, B.J.; Bayat, A.

    1994-01-01

    The Emergency Diesel Generator (EDG) in a Nuclear Power Plant is considered to be an essential component of the plant for its safe operation. Failures of auxiliary components directly mounted on the EDG creates costly repairs, and compromises the engine's availability and reliability. Although IEEE-323 and Section III of the ASME code require addressing of safety-related components due to mechanically induced vibration, very few guidelines exist in the nuclear industry to show how this may be accounted for. Most engine vendors rely on the empirical experience data as the basis of their evaluation for vibration. Upgrade of engine controls, addition of monitoring components and other engine modifications require design and installation of new mechanical and electrical components to be mounted directly on the engine. This necessitates the evaluation of such components for engine-induced vibration which is considered to be one of the most severe design parameters. This paper presents a methodology to evaluate three categories of components; structural, mechanical, and electrical under engine vibration. The discussion for the characteristics and manipulation of engine vibration profile to be used for each component evaluation is also given. In addition, the suitability of analytical verses testing approaches is discussed for each category. An example application of the methodology is presented for a typical EDG which is currently undergoing major controls upgrade and monitoring modification

  18. Experimental and computational study on molecular structure and vibrational analysis of an antihyperglycemic biomolecule: Gliclazide

    Science.gov (United States)

    Karakaya, Mustafa; Kürekçi, Mehmet; Eskiyurt, Buse; Sert, Yusuf; Çırak, Çağrı

    2015-01-01

    In present study, the experimental and theoretical harmonic vibrational frequencies of gliclazide molecule have been investigated. The experimental FT-IR (400-4000 cm-1) and Laser-Raman spectra (100-4000 cm-1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) have been calculated using ab initio Hartree Fock (HF), density functional theory (B3LYP hybrid function) methods with 6-311++G(d,p) and 6-31G(d,p) basis sets by Gaussian 09W program. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. Theoretical optimized geometric parameters and vibrational frequencies have been compared with the corresponding experimental data, and they have been shown to be in a good agreement with each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies have been found.

  19. Contactless Diagnostics of Turbine Blade Vibration and Damage

    International Nuclear Information System (INIS)

    Prochazka, Pavel; Vanek, Frantisek

    2011-01-01

    The study deals with the contactless diagnostic method used for the identification of steam turbine blade strain, vibration and damage. The tip-timing method based on the evaluation of time differences of blade passages in different rotor revolutions has been modified and improved to provide more precise and reliable results. A new approach to the analysis of the amplitude and time differences of impulse signals generated by a blade passage has been applied. Amplitudes and frequencies of vibrations and static position of blades ascertained by the diagnostic process are used to establish the state of blade damage. A contactless diagnostic system VDS-UT based on magneto-resistive sensors was developed in the Institute of Thermomechanics Academy of Sciences of the Czech Republic. The system provides on-line monitoring of vibration amplitudes and frequencies of all blades and notification of possible blade damage. Evaluation of the axial and circumferential components of the deflections by measuring the amplitude of blade impulse signals results in an overall improvement of the method. Using magneto-resistive sensors, blade elongation and untwisting can be determined as well.

  20. [Occupational standing vibration rate and vibrational diseases].

    Science.gov (United States)

    Karnaukh, N G; Vyshchipan, V F; Haumenko, B S

    2003-12-01

    Occupational standing vibration rate is proposed in evaluating a degree of impairment of an organism activity. It will allow more widely to introduce specification of quality and quantity in assessment of the development of vibrational disease. According out-patient and inpatient obtained data we have established criterial values of functional changes in accordance with accumulated occupational standing vibration rate. The nomogram was worked out for defining a risk of the development of vibrational disease in mine workers. This nomogram more objectively can help in diagnostics of the disease.

  1. Understanding acoustics an experimentalist’s view of acoustics and vibration

    CERN Document Server

    Garrett, Steven L

    2017-01-01

    This textbook provides a unified approach to acoustics and vibration suitable for use in advanced undergraduate and first-year graduate courses on vibration and fluids. The book includes thorough treatment of vibration of harmonic oscillators, coupled oscillators, isotropic elasticity, and waves in solids including the use of resonance techniques for determination of elastic moduli. Drawing on 35 years of experience teaching introductory graduate acoustics at the Naval Postgraduate School and Penn State, the author presents a hydrodynamic approach to the acoustics of sound in fluids that provides a uniform methodology for analysis of lumped-element systems and wave propagation that can incorporate attenuation mechanisms and complex media. This view provides a consistent and reliable approach that can be extended with confidence to more complex fluids and future applications. Understanding Acoustics opens with a mathematical introduction that includes graphing and statistical uncertainty, followed by five chap...

  2. Vibrational and electronic investigations, thermodynamic parameters, HOMO and LUMO analysis on Lornoxicam by density functional theory

    Science.gov (United States)

    Suhasini, M.; Sailatha, E.; Gunasekaran, S.; Ramkumaar, G. R.

    2015-11-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of Lornoxicam were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameters, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p) and 6-31++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the Vibrational modes calculated using Vibrational Energy Distribution Analysis (VEDA 4) program. The oscillator's strength calculated by TD-DFT and Lornoxicam is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis and the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like Entropy, Enthalpy, Specific heat capacity and zero vibrational energy have been calculated. Besides, molecular electrostatic potential (MEP) was investigated using theoretical calculations.

  3. Fuel Rod Vibration Measurement Method using a Flap and its Verification

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Joo Young; Park, Nam Gyu; Suh, Jung Min; Jeon, Kyeong Lak [KEPCO NF Co., Daejeon (Korea, Republic of)

    2011-10-15

    Flow-induced vibration is a critical factor for the mechanical integrity of a fuel rod. This vibration can cause leaked fuel through the mechanism, such as grid to rod fretting. To minimize the failures caused by flow-induced vibration, a robust design is needed which takes into account vibrational characteristics. That is, the spacer grid design should be developed to avoid any excessive vibration. On the one hand, if fuel rod vibration can be measured, an estimation of the excitation forces, which are a critical cause of rod failure, should be possible. Therefore, by applying an external force, flow-induced vibration can be roughly estimated when the fuel rod vibration model is used. KEPCO Nuclear Fuel developed the test loop to research flow-induced vibration as shown in Fig.1. The investigation flow-induced vibration (INFINIT) - the test facility - can measure the grid strap vibration and pressure drop of a 5x5 small scale fuel bundle. Basically, using a Laser Doppler Vibrometer (LDV), the vibration of a structure immersed in high speed fluid can be measured. Grid strap vibration is easily measured using an LDV. However, it is quite difficult to measure fuel rod vibration because of the round surface shape of the rods. In addition, measuring current method using the LDV, it was only possible to directly measure fuel rod vibration at the first row of the bundle as the rods behind the first row are obscured. To solve this problem, a thin flap, as shown in Fig. 2(a) can be used as a reflecting target, gaining access to rods within the bundle. The flap is attached to the fuel rod, as in Fig. 2(b). As a result, most of the inner rod vibration can be measured. Before using a flap to measure fuel rod vibration, a verification process was needed to show whether the LDV signal from the flap vibration provided equivalent and reliable signals. Therefore, impact testing was carried out on the fuel rod using a flap. The LDV signals were then compared with accelerometer

  4. Seismic proving tests on the reliability for large components and equipment of nuclear power plants

    International Nuclear Information System (INIS)

    Ohno, Tokue; Tanaka, Nagatoshi

    1988-01-01

    Since Japan has destructive earthquakes frequently, the structural reliability for large components and equipment of nuclear power plants are rigorously required. They are designed using sophisticated seismic analyses and have not yet encountered a destructive earthquake. When nuclear power plants are planned, it is very important that the general public understand the structural reliability during and after an earthquake. Seismic Proving Tests have been planned by Ministry of International Trade and Industry (Miti) to comply with public requirement in Japan. A large-scale high-performance vibration table was constructed at Tasted Engineering Laboratory of Nuclear Power Engineering Test Center (NU PEC), in order to prove the structural reliability by vibrating the test model (of full scale or close to the actual size) in the condition of a destructive earthquake. As for the test models, the following four items were selected out of large components and equipment important to the safety: Reactor Containment Vessel; Primary Coolant Loop or Primary Loop Recirculation System; Reactor Pressure Vessel; and Reactor Core Internals. Here is described a brief of the vibration table, the test method and the results of the tests on PWR Reactor Containment Vessel and BWR Primary Loop Recirculation System (author)

  5. A Comparison of Vibration and Oil Debris Gear Damage Detection Methods Applied to Pitting Damage

    Science.gov (United States)

    Dempsey, Paula J.

    2000-01-01

    Helicopter Health Usage Monitoring Systems (HUMS) must provide reliable, real-time performance monitoring of helicopter operating parameters to prevent damage of flight critical components. Helicopter transmission diagnostics are an important part of a helicopter HUMS. In order to improve the reliability of transmission diagnostics, many researchers propose combining two technologies, vibration and oil monitoring, using data fusion and intelligent systems. Some benefits of combining multiple sensors to make decisions include improved detection capabilities and increased probability the event is detected. However, if the sensors are inaccurate, or the features extracted from the sensors are poor predictors of transmission health, integration of these sensors will decrease the accuracy of damage prediction. For this reason, one must verify the individual integrity of vibration and oil analysis methods prior to integrating the two technologies. This research focuses on comparing the capability of two vibration algorithms, FM4 and NA4, and a commercially available on-line oil debris monitor to detect pitting damage on spur gears in the NASA Glenn Research Center Spur Gear Fatigue Test Rig. Results from this research indicate that the rate of change of debris mass measured by the oil debris monitor is comparable to the vibration algorithms in detecting gear pitting damage.

  6. Vibration test report for in-chimney bracket and instrumented fuel assembly

    Energy Technology Data Exchange (ETDEWEB)

    Ryu, Jeong Soo; Yoon, D. B.; Cho, Y. G.; Ahn, G. H.; Lee, J. H.; Park, J.H

    2000-10-01

    The vibration levels of in-chimney bracket structure which is installed in reactor chimney and instrumented fuel assembly(Type-B Bundle) are investigated under the steady state normal operating condition of the reactor. For this purpose, 4 acceleration data on the guide tube of the instrumented fuel assembly and in-chimney bracket structures subjected to fluid induced vibration are measured. For the analysis of the vibration data, vibration analysis program which can perform basic time and frequency domain analysis, is prepared, and its reliability is verified by comparing the analysis results with those of commercial analysis program(I-DEAS). In time domain analysis, maximum amplitudes, and RMS values of accelerations and displacements from the measured vibration signal, are obtained. The frequency components of the vibration data are analyzed by using the frequency domain analysis. These analysis results show that the levels of the measured vibrations are within the allowable level, and the low frequency component near 10 Hz is dominant in the vibration signal. For the evaluation of the structural integrity on the in-chimney bracket and related structures including the instrumented fuel assembly, the static analysis for ANSYS finite element model is carried out. These analysis results show that the maximum stresses are within the allowable stresses of the ASME code, and the maximum displacement of the top of the flow tube is within the displacement limit. Therefore any damage on the structural integrity is not expected when the irradiation test is performed using the in-chimney bracket.

  7. Vibration test report for in-chimney bracket and instrumented fuel assembly

    International Nuclear Information System (INIS)

    Ryu, Jeong Soo; Yoon, D. B.; Cho, Y. G.; Ahn, G. H.; Lee, J. H.; Park, J.H.

    2000-10-01

    The vibration levels of in-chimney bracket structure which is installed in reactor chimney and instrumented fuel assembly(Type-B Bundle) are investigated under the steady state normal operating condition of the reactor. For this purpose, 4 acceleration data on the guide tube of the instrumented fuel assembly and in-chimney bracket structures subjected to fluid induced vibration are measured. For the analysis of the vibration data, vibration analysis program which can perform basic time and frequency domain analysis, is prepared, and its reliability is verified by comparing the analysis results with those of commercial analysis program(I-DEAS). In time domain analysis, maximum amplitudes, and RMS values of accelerations and displacements from the measured vibration signal, are obtained. The frequency components of the vibration data are analyzed by using the frequency domain analysis. These analysis results show that the levels of the measured vibrations are within the allowable level, and the low frequency component near 10 Hz is dominant in the vibration signal. For the evaluation of the structural integrity on the in-chimney bracket and related structures including the instrumented fuel assembly, the static analysis for ANSYS finite element model is carried out. These analysis results show that the maximum stresses are within the allowable stresses of the ASME code, and the maximum displacement of the top of the flow tube is within the displacement limit. Therefore any damage on the structural integrity is not expected when the irradiation test is performed using the in-chimney bracket

  8. Improvement of standards on functional reliability of electric power systems

    International Nuclear Information System (INIS)

    Barinov, V.A.; Volkov, G.A.; Kalita, V.V.; Kogan, F.L.; Makarov, S.F.; Manevich, A.S.; Mogirev, V.V.; Sin'chugov, F.I.; Skopintsev, V.A.; Khvoshchinskaya, Z.G.

    1993-01-01

    Analysis of the most principal aspects of the existing standards and requirements on assuring safety and stability of electric power systems (EPS) and effective (reliable and economical) power supply of consumers is given. The reliability is determined as ability to accomplish the assigned functions. Basic recommendations on improving the standards regulating the safety and reliability of the NPP functioning are formulated

  9. Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of 4-chlorobenzothioamide

    Science.gov (United States)

    Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

    2013-09-01

    In the present work, the experimental and theoretical vibrational spectra of 4-chlorobenzothioamide were investigated. The FT-IR (400-4000 cm-1) and μ-Raman spectra (100-4000 cm-1) of 4-chlorobenzothioamide in the solid phase were recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared and Raman intensities of the title molecule in the ground state were calculated using ab initio Hartree-Fock and density functional theory (B3LYP) methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and the theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 4-chlorobenzothioamide was also simulated to evaluate the effect of intermolecular hydrogen bonding on the vibrational frequencies. It was observed that the Nsbnd H stretching modes shifted to lower frequencies, while the in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular Nsbnd H⋯S hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented.

  10. Vibration Signal Forecasting on Rotating Machinery by means of Signal Decomposition and Neurofuzzy Modeling

    Directory of Open Access Journals (Sweden)

    Daniel Zurita-Millán

    2016-01-01

    Full Text Available Vibration monitoring plays a key role in the industrial machinery reliability since it allows enhancing the performance of the machinery under supervision through the detection of failure modes. Thus, vibration monitoring schemes that give information regarding future condition, that is, prognosis approaches, are of growing interest for the scientific and industrial communities. This work proposes a vibration signal prognosis methodology, applied to a rotating electromechanical system and its associated kinematic chain. The method combines the adaptability of neurofuzzy modeling with a signal decomposition strategy to model the patterns of the vibrations signal under different fault scenarios. The model tuning is performed by means of Genetic Algorithms along with a correlation based interval selection procedure. The performance and effectiveness of the proposed method are validated experimentally with an electromechanical test bench containing a kinematic chain. The results of the study indicate the suitability of the method for vibration forecasting in complex electromechanical systems and their associated kinematic chains.

  11. Theoretical Investigation of Vibrational Frequencies for Tetrabromopalladate (II Ion

    Directory of Open Access Journals (Sweden)

    Metin Bilge

    2010-11-01

    Full Text Available The normal mode frequencies and corresponding vibrational assignments of tetrabromopalladate (II ion ([Pd(Br4]2- have been theoretically examined by means of standard quantum chemical technique. All normal modes have been successfully assigned utilizing the D4h symmetry of [Pd(Br4]2-. Calculation has been performed at the Becke-3-Lee-Yang-Parr (B3LYP density functional method using the Lanl2dz basis set. Infrared intensities and Raman activities have also been calculated and reported. Theoretical results have been successfully compared against available experimental data. Key words: [Pd(Br4]2-, DFT, vibrational assignment, normal mode frequency, Lanl2dz Tetrabromopaladyum (II İyonunun Titreşim Frekanslarının Teorik Olarak İncelenmesi Tetrabromopaladyum (II iyonunun ([Pd(Br4]2- normal mod frekansları ve bunlara karşılık gelen titreşim işaretlemeleri standart kuantum kimyasal teknik yardımıyla teorik olarak incelenmektedir. Tüm normal modlar [Pd(Br4]2- iyonunun D4h nokta grubu kullanılarak başarılı bir şekilde işaretlenmiştir. Hesaplama Lanl2dz baz seti kullanılarak B3LYP (Becke-3-Lee-Yang-Parr yoğunluk fonksiyonel metoduyla gerçekleştirilmiş ve infrared intensiteleri ile Raman aktiviteleri de hesaplanmıştır. Teorik sonuçlar mevcut deneysel değerler ile başarılı bir şekilde karşılaştırılmaktadır. Anahtar kelimeler: [Pd(Br4]2-, DFT, titreşim işaretlemesi, normal mod frekansı, Lanl2dz

  12. Construction and calibration of a low cost and fully automated vibrating sample magnetometer

    International Nuclear Information System (INIS)

    El-Alaily, T.M.; El-Nimr, M.K.; Saafan, S.A.; Kamel, M.M.; Meaz, T.M.; Assar, S.T.

    2015-01-01

    A low cost vibrating sample magnetometer (VSM) has been constructed by using an electromagnet and an audio loud speaker; where both are controlled by a data acquisition device. The constructed VSM records the magnetic hysteresis loop up to 8.3 KG at room temperature. The apparatus has been calibrated and tested by using magnetic hysteresis data of some ferrite samples measured by two scientifically calibrated magnetometers; model (Lake Shore 7410) and model (LDJ Electronics Inc. Troy, MI). Our VSM lab-built new design proved success and reliability. - Highlights: • A low cost automated vibrating sample magnetometer VSM has been constructed. • The VSM records the magnetic hysteresis loop up to 8.3 KG at room temperature. • The VSM has been calibrated and tested by using some measured ferrite samples. • Our VSM lab-built new design proved success and reliability

  13. Construction and calibration of a low cost and fully automated vibrating sample magnetometer

    Energy Technology Data Exchange (ETDEWEB)

    El-Alaily, T.M., E-mail: toson_alaily@yahoo.com [Physics Department, Faculty of Science, Tanta University, Tanta (Egypt); El-Nimr, M.K.; Saafan, S.A.; Kamel, M.M.; Meaz, T.M. [Physics Department, Faculty of Science, Tanta University, Tanta (Egypt); Assar, S.T. [Engineering Physics and Mathematics Department, Faculty of Engineering, Tanta University, Tanta (Egypt)

    2015-07-15

    A low cost vibrating sample magnetometer (VSM) has been constructed by using an electromagnet and an audio loud speaker; where both are controlled by a data acquisition device. The constructed VSM records the magnetic hysteresis loop up to 8.3 KG at room temperature. The apparatus has been calibrated and tested by using magnetic hysteresis data of some ferrite samples measured by two scientifically calibrated magnetometers; model (Lake Shore 7410) and model (LDJ Electronics Inc. Troy, MI). Our VSM lab-built new design proved success and reliability. - Highlights: • A low cost automated vibrating sample magnetometer VSM has been constructed. • The VSM records the magnetic hysteresis loop up to 8.3 KG at room temperature. • The VSM has been calibrated and tested by using some measured ferrite samples. • Our VSM lab-built new design proved success and reliability.

  14. Conformational and vibrational analysis of 5-hydroxy 2-nitrobenzaldehyde by AB initio hartree-fock, density functional theory calculations

    International Nuclear Information System (INIS)

    Cinakli, S.; Sert, Y.; Boeyuekata, M.; Ucun, F.

    2010-01-01

    The vibrational spectra of benzaldehyde and its derivatives have been studied earlier. The substitution of a functional group changes the spectra markedly. Recent spectroscopic studies of the benzaldehyde and their derivatives have been motivated because the vibrational spectra are very useful for understanding of specific biological process and in the analysis of relatively complex systems. The optimized molecular structure, vibrational frequencies and corresponding vibrational assignments, the total energy calculations, relative energies, the mean vibrational deviations of the two planar O-cis and O-trans roomers of 5-Hydroxy 2-nitrobenzaldehydes have been calculated using ab initio Hartree Fock (HF) and Density Functional Theory (B3LYP) with 6-311++G(d,p) basis set. All computations have been performed on personal computer using the Gaussian 03 program package. The calculations were adapted to Cs symmetries of all the molecules. The O-trans rotomers with lower energy of all the molecules have been found as preferential rotomers in the ground state.

  15. Embedded mechatronic systems 1 analysis of failures, predictive reliability

    CERN Document Server

    El Hami, Abdelkhalak

    2015-01-01

    In operation, mechatronics embedded systems are stressed by loads of different causes: climate (temperature, humidity), vibration, electrical and electromagnetic. These stresses in components which induce failure mechanisms should be identified and modeled for better control. AUDACE is a collaborative project of the cluster Mov'eo that address issues specific to mechatronic reliability embedded systems. AUDACE means analyzing the causes of failure of components of mechatronic systems onboard. The goal of the project is to optimize the design of mechatronic devices by reliability. The projec

  16. Coupled bending and torsional vibration of a rotor system with nonlinear friction

    International Nuclear Information System (INIS)

    Hua, Chunli; Cao, Guohua; Zhu, Zhencai; Rao, Zhushi; Ta, Na

    2017-01-01

    Unacceptable vibrations induced by the nonlinear friction in a rotor system seriously affect the health and reliability of the rotating ma- chinery. To find out the basic excitation mechanism and characteristics of the vibrations, a coupled bending and torsional nonlinear dynamic model of rotor system with nonlinear friction is presented. The dynamic friction characteristic is described with a Stribeck curve, which generates nonlinear friction related to relative velocity. The motion equations of unbalance rotor system are established by the Lagrangian approach. Through numerical calculation, the coupled vibration characteristics of a rotor system under nonlinear friction are well investigated. The influence of main system parameters on the behaviors of the system is discussed. The bifurcation diagrams, waterfall plots, the times series, orbit trails, phase plane portraits and Poincaré maps are obtained to analyze dynamic characteristics of the rotor system and the results reveal multiform complex nonlinear dynamic responses of rotor system under rubbing. These analysis results of the present paper can effectively provide a theoretical reference for structural design of rotor systems and be used to diagnose self- excited vibration faults in this kind of rotor systems. The present research could contribute to further understanding on the self-excited vibration and the bending and torsional coupling vibration of the rotor systems with Stribeck friction model.

  17. Coupled bending and torsional vibration of a rotor system with nonlinear friction

    Energy Technology Data Exchange (ETDEWEB)

    Hua, Chunli; Cao, Guohua; Zhu, Zhencai [China University of Mining and Technology, Xuzhou (China); Rao, Zhushi; Ta, Na [Shanghai Jiao Tong University, Shanghai (China)

    2017-06-15

    Unacceptable vibrations induced by the nonlinear friction in a rotor system seriously affect the health and reliability of the rotating ma- chinery. To find out the basic excitation mechanism and characteristics of the vibrations, a coupled bending and torsional nonlinear dynamic model of rotor system with nonlinear friction is presented. The dynamic friction characteristic is described with a Stribeck curve, which generates nonlinear friction related to relative velocity. The motion equations of unbalance rotor system are established by the Lagrangian approach. Through numerical calculation, the coupled vibration characteristics of a rotor system under nonlinear friction are well investigated. The influence of main system parameters on the behaviors of the system is discussed. The bifurcation diagrams, waterfall plots, the times series, orbit trails, phase plane portraits and Poincaré maps are obtained to analyze dynamic characteristics of the rotor system and the results reveal multiform complex nonlinear dynamic responses of rotor system under rubbing. These analysis results of the present paper can effectively provide a theoretical reference for structural design of rotor systems and be used to diagnose self- excited vibration faults in this kind of rotor systems. The present research could contribute to further understanding on the self-excited vibration and the bending and torsional coupling vibration of the rotor systems with Stribeck friction model.

  18. Vocal fold contact patterns based on normal modes of vibration.

    Science.gov (United States)

    Smith, Simeon L; Titze, Ingo R

    2018-05-17

    The fluid-structure interaction and energy transfer from respiratory airflow to self-sustained vocal fold oscillation continues to be a topic of interest in vocal fold research. Vocal fold vibration is driven by pressures on the vocal fold surface, which are determined by the shape of the glottis and the contact between vocal folds. Characterization of three-dimensional glottal shapes and contact patterns can lead to increased understanding of normal and abnormal physiology of the voice, as well as to development of improved vocal fold models, but a large inventory of shapes has not been directly studied previously. This study aimed to take an initial step toward characterizing vocal fold contact patterns systematically. Vocal fold motion and contact was modeled based on normal mode vibration, as it has been shown that vocal fold vibration can be almost entirely described by only the few lowest order vibrational modes. Symmetric and asymmetric combinations of the four lowest normal modes of vibration were superimposed on left and right vocal fold medial surfaces, for each of three prephonatory glottal configurations, according to a surface wave approach. Contact patterns were generated from the interaction of modal shapes at 16 normalized phases during the vibratory cycle. Eight major contact patterns were identified and characterized by the shape of the flow channel, with the following descriptors assigned: convergent, divergent, convergent-divergent, uniform, split, merged, island, and multichannel. Each of the contact patterns and its variation are described, and future work and applications are discussed. Copyright © 2018 Elsevier Ltd. All rights reserved.

  19. An adaptive left–right eigenvector evolution algorithm for vibration isolation control

    International Nuclear Information System (INIS)

    Wu, T Y

    2009-01-01

    The purpose of this research is to investigate the feasibility of utilizing an adaptive left and right eigenvector evolution (ALREE) algorithm for active vibration isolation. As depicted in the previous paper presented by Wu and Wang (2008 Smart Mater. Struct. 17 015048), the structural vibration behavior depends on both the disturbance rejection capability and mode shape distributions, which correspond to the left and right eigenvector distributions of the system, respectively. In this paper, a novel adaptive evolution algorithm is developed for finding the optimal combination of left–right eigenvectors of the vibration isolator, which is an improvement over the simultaneous left–right eigenvector assignment (SLREA) method proposed by Wu and Wang (2008 Smart Mater. Struct. 17 015048). The isolation performance index used in the proposed algorithm is defined by combining the orthogonality index of left eigenvectors and the modal energy ratio index of right eigenvectors. Through the proposed ALREE algorithm, both the left and right eigenvectors evolve such that the isolation performance index decreases, and therefore one can find the optimal combination of left–right eigenvectors of the closed-loop system for vibration isolation purposes. The optimal combination of left–right eigenvectors is then synthesized to determine the feedback gain matrix of the closed-loop system. The result of the active isolation control shows that the proposed method can be utilized to improve the vibration isolation performance compared with the previous approaches

  20. observer-based diagnostics and monitoring of vibrations in nuclear reactor core cooling system

    International Nuclear Information System (INIS)

    Siry, S.A K.

    2007-01-01

    analysis and diagnostics of vibration in industrial systems play a significant rule to prevent severe severe damages . drive shaft vibration is a complicated phenomenon composed of two independent forms of vibrations, translational and torsional. translational vibration measurements in case of the reactor core cooling system are introduced. the system under study consists of the three phase induction motor, flywheel, centrifugal pump, and two coupling between motor-flywheel, and flywheel-pump. this system structure is considered to be one where the blades are pegged into the discs fitting into the shafts. a non-linear model to simulate vibration in the reactor core cooling system will be introduced. simulation results of an operating reactor core cooling system using the actual parameters will be presented to validate the accuracy and reliability of the proposed analytical method the accuracy in analyzing the results depends on the system model. the shortcomings of the conventional model will be avoided through the use of that accurate nonlinear model which improve the simulation of the reactor core cooling system

  1. Detection of generator bearing inner race creep by means of vibration and temperature analysis

    DEFF Research Database (Denmark)

    Skrimpas, Georgios Alexandros; Dragiev, Ivaylo G.; Hilmisson, Reynir

    2015-01-01

    Vibration and temperature analysis are the two dominating condition monitoring techniques applied to fault detection of bearing failures in wind turbine generators. Relative movement between the bearing inner ring and generator axle is one of the most severe failure modes in terms of secondary...... damages and development. Detection of bearing creep can be achieved reliably based on continuous trending of the amplitude of vibration running speed harmonic and temperature absolute values. In order to decrease the number of condition indicators which need to be assessed, it is proposed to exploit...... a weighted average descriptor calculated based on the 3rd up to 6th harmonic orders. Two cases of different bearing creep severity are presented, showing the consistency of the combined vibration and temperature data utilization. In general, vibration monitoring reveals early signs of abnormality several...

  2. Effect of shelf aging on vibration transmissibility of anti-vibration gloves

    Science.gov (United States)

    SHIBATA, Nobuyuki

    2017-01-01

    Anti-vibration gloves have been used in real workplaces to reduce vibration transmitted through hand-held power tools to the hand. Generally materials used for vibration attenuation in gloves are resilient materials composed of certain synthetic and/or composite polymers. The mechanical characteristics of the resilient materials used in anti-vibration gloves are prone to be influenced by environmental conditions such as temperature, humidity, and photo-irradiation, which cause material degradation and aging. This study focused on the influence of shelf aging on the vibration attenuation performance of air-packaged anti-vibration gloves following 2 yr of shelf aging. Effects of shelf aging on the vibration attenuation performance of anti-vibration gloves were examined according to the Japan industrial standard JIS T8114 test protocol. The findings indicate that shelf aging induces the reduction of vibration attenuation performance in air-packaged anti-vibration gloves. PMID:28978817

  3. 16 x 16 Vantage+ Fuel Assembly Flow Vibrational Testing

    International Nuclear Information System (INIS)

    Chambers, Martin; Kurincic, Bojan

    2014-01-01

    Nuklearna Elektrarna Krsko (NEK) has experienced leaking fuel after increasing the cycle duration to 18 months. The leaking fuel mechanism has predominantly been consistent over multiple cycles and is typically observed in highly irradiated Fuel Assemblies (FA) after around 4 years of continuous operation that were located at the core periphery (baffle). The cause of the leaking fuel is due to Grid-To-Rod-Fretting (GRTF) and occasional debris fretting. NEK utilises a 16x16 Vantage+ FA design with all Inconel structural mixing vane grids (8 in total), Zirlo thimbles, Integral Fuel Burnable Absorber (IFBA) rods with enriched ZrB2, enriched Annular Blanket, Debris Filter Bottom Nozzle (DFBN), Removable Top Nozzle (RTN) and Zirlo fuel cladding material with a high burnup capability of 60 GWD/MTU. Numerous design and operational changes are thought to have reduced the original 16x16 FA design margin to fretting resistance of either vibration or its wear work rate, such as significant power uprate (spring force loss, rod creep down...), operational cycle duration increase from 12 to 18 months (increasing residence time as well as lead FA and fuel rod burnup values), Reactor Coolant System flow increase (increased vibration), removal of Thimble Plugs (increased bypass flow, increased vibration) and Zirc-4 to Zirlo cladding change (decreasing wear work rate). The fuel rod to grid spring as well as dimple contact areas are relatively smaller than other FA designs that exhibit good in-reactor fretting performance. A FA design change project to address the small rod to dimple / spring contact area and utilise fuel cladding oxide coating is currently being pursued with the fuel supplier. The FA vibrational properties are very important to the in-reactor FA performance and reliability. The 16x16 Vantage+ vibrational testing was performed with a full size FA in the Fuel Assembly Compatibility Testing (FACTS) loop that is able to provide full flow rates at elevated temperature

  4. A Novel Hybrid Error Criterion-Based Active Control Method for on-Line Milling Vibration Suppression with Piezoelectric Actuators and Sensors

    Directory of Open Access Journals (Sweden)

    Xingwu Zhang

    2016-01-01

    Full Text Available Milling vibration is one of the most serious factors affecting machining quality and precision. In this paper a novel hybrid error criterion-based frequency-domain LMS active control method is constructed and used for vibration suppression of milling processes by piezoelectric actuators and sensors, in which only one Fast Fourier Transform (FFT is used and no Inverse Fast Fourier Transform (IFFT is involved. The correction formulas are derived by a steepest descent procedure and the control parameters are analyzed and optimized. Then, a novel hybrid error criterion is constructed to improve the adaptability, reliability and anti-interference ability of the constructed control algorithm. Finally, based on piezoelectric actuators and acceleration sensors, a simulation of a spindle and a milling process experiment are presented to verify the proposed method. Besides, a protection program is added in the control flow to enhance the reliability of the control method in applications. The simulation and experiment results indicate that the proposed method is an effective and reliable way for on-line vibration suppression, and the machining quality can be obviously improved.

  5. Mapping quadrupole collectivity in the Cd isotopes: The breakdown of harmonic vibrational motion

    Science.gov (United States)

    Garrett, P. E.; Green, K. L.; Bangay, J.; Varela, A. Diaz; Sumithrarachchi, C. S.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D. S.; Bianco, L.; Colosimo, S.; Cross, D. S.; Demand, G. A.; Finlay, P.; Garnsworthy, A. B.; Grinyer, G. F.; Hackman, G.; Kulp, W. D.; Leach, K. G.; Morton, A. C.; Orce, J. N.; Pearson, C. J.; Phillips, A. A.; Schumaker, M. A.; Svensson, C. E.; Triambak, S.; Wong, J.; Wood, J. L.; Yates, S. W.

    2011-10-01

    The stable Cd isotopes have long been used as paradigms for spherical vibrational motion. Extensive investigations with in-beam γ spectroscopy have resulted in very-well-established level schemes, including many lifetimes or lifetime limits. A programme has been initiated to complement these studies with very-high-statistics β decay using the 8π spectrometer at the TRIUMF radioactive beam facility. The decays of 112In and 112Ag have been studied with an emphasis on the observation of, or the placement of stringent limits on, low-energy branches between potential multi-phonon levels. A lack of suitable 0+ or 2+ three-phonon candidates has been revealed. Further, the sum of the B(E2) strength from spin 0+ and 2+ states up to 3 MeV in excitation energy to the assigned two-phonon levels falls far short of the harmonic-vibrational expectations. This lack of strength points to the failing of collective models based on vibrational phonon structures.

  6. Fragmentation of two-phonon {gamma}-vibrational strength in deformed nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Wu, C.Y.; Cline, D. [Univ. of Rochester, NY (United States)

    1996-12-31

    Rotational and vibrational modes of collective motion. are very useful in classifying the low-lying excited states in deformed nuclei. The rotational mode of collective motion is characterized by rotational bands having correlated level energies and strongly-enhanced E2 matrix elements. The lowest intrinsic excitation with I,K{sup {pi}} = 2,2{sup +} in even-even deformed nuclei, typically occurring at {approx}1 MeV, is classified as a one-phonon {gamma}-vibration state. In a pure harmonic vibration limit, the expected two-phonon {gamma}-vibration states with I,K{sup {pi}} = 0,0{sup +} and 4,4{sup +} should have excitation energies at twice that of the I,K{sup {pi}} = 2,2{sup +} excitation, i.e. {approx}2 MeV, which usually is above the pairing gap leading to possible mixing with two-quasiparticle configurations. Therefore, the question of the localization of two-phonon {gamma}-vibration strength has been raised because mixing may lead to fragmentation of the two-phonon strength over a range of excitation energy. For several well-deformed nuclei, an assignment of I,K{sup {pi}}=4,4{sup +} states as being two-phonon vibrational excitations has been suggested based on the excitation energies and the predominant {gamma}-ray decay to the I,K{sup {pi}}=2,2{sup +} state. However, absolute B(E2) values connecting the presumed two- and one-phonon states are the only unambiguous measure of double phonon excitation. Such B(E2) data are available for {sup 156}Gd, {sup 160}Dy, {sup 168}Er, {sup 232}Th, and {sup 186,188,190,192}Os. Except for {sup 160}Dy, the measured B(E2) values range from 2-3 Weisskopf units in {sup 156}Gd to 10-20 Weisskopf units in osmium nuclei; enhancement that is consistent with collective modes of motion.

  7. Maximal network reliability for a stochastic power transmission network

    International Nuclear Information System (INIS)

    Lin, Yi-Kuei; Yeh, Cheng-Ta

    2011-01-01

    Many studies regarded a power transmission network as a binary-state network and constructed it with several arcs and vertices to evaluate network reliability. In practice, the power transmission network should be stochastic because each arc (transmission line) combined with several physical lines is multistate. Network reliability is the probability that the network can transmit d units of electric power from a power plant (source) to a high voltage substation at a specific area (sink). This study focuses on searching for the optimal transmission line assignment to the power transmission network such that network reliability is maximized. A genetic algorithm based method integrating the minimal paths and the Recursive Sum of Disjoint Products is developed to solve this assignment problem. A real power transmission network is adopted to demonstrate the computational efficiency of the proposed method while comparing with the random solution generation approach.

  8. BWR 9 X 9 Fuel Assembly Thermal-Hydraulic Tests (2): Hydraulic Vibration Test

    International Nuclear Information System (INIS)

    Yoshiaki Tsukuda; Katsuichiro Kamimura; Toshiitsu Hattori; Akira Tanabe; Noboru Saito; Masahiko Warashina; Yuji Nishino

    2002-01-01

    Nuclear Power Engineering Corporation (NUPEC) conducted thermal-hydraulic projects for verification of thermal-hydraulic design reliability for BWR high-burnup 8 x 8 and 9 x 9 fuel assemblies, entrusted by the Ministry of Economy, Trade and Industry (METI). As a part of the NUPEC thermal-hydraulic projects, hydraulic vibration tests using full-scale test assemblies simulating 9 x 9 fuel assemblies were carried out to evaluate BWR fuel integrity. The test data were applied to development of a new correlation for the estimation of fuel rod vibration amplitude. (authors)

  9. An experimental and theoretical study of molecular structure and vibrational spectra of 2-methylphenyl boronic acid by density functional theory calculations

    Science.gov (United States)

    Hiremath, Sudhir M.; Hiremath, C. S.; Khemalapure, S. S.; Patil, N. R.

    2018-05-01

    This paper reports the experimental and theoretical study on the structure and vibrations of 2-Methylphenyl boronic acid (2MPBA). The different spectroscopic techniques such as FT-IR (4000-400 cm-1) and FT-Raman (4000-50 cm-1) of the title molecule in the solid phase were recorded. The geometry of the molecule was fully optimized using density functional theory (DFT) (B3LYP) with 6-311++G(d, p) basis set calculations. The vibrational wavenumbers were also corrected with scale factor to take better results for the calculated data. Vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the potential energy distribution (PED) of the vibrational modes obtained from VEDA 4 program. The calculated wavenumbers showed the best agreement with the experimental results. Whereas, it is observed that, the theoretical frequencies are more than the experimental one for O-H stretching vibration modes of the title molecule.

  10. Vibrational spectra of crystalline formic and acetic acid isotopologues by inelastic neutron scattering and numerical simulations

    International Nuclear Information System (INIS)

    Johnson, M.R.; Trommsdorff, H.P.

    2009-01-01

    Vibrational spectra of crystalline powder of four isotopologues of formic acid (HCOOH, HCOOD, DCOOH, DCOOD) and of acetic acid (CH 3 COOH, CH 3 COOD, CD 3 COOH, CD 3 COOD) were recorded at 20 K by inelastic neutron scattering. These spectra are compared with computed spectra based on harmonic force fields derived from periodic density functional theory (DFT) calculations. The assignment of all internal vibrations is obvious from the spectral changes under isotopic substitution. Discrepancies between calculation and experiment expose the over evaluation of the strength of the hydrogen bond by these standard DFT calculations

  11. Analytical and Experimental Random Vibration of Nonlinear Aeroelastic Structures.

    Science.gov (United States)

    1987-01-28

    vibrations. In civil engineenng the mechanical and strength eccentricity in the disks. Parameter variations exist in disk properties of the material vary...support. define the loading and resistance strength of the structure. Figure 10 shows the comparison between theoretical and experi- mental natural... dinamics . Sijthoff- Hilton, H H. and Feigen. M. Minimum weight analysis based on structural Noordhoff Co, Netherlands. reliability. J Aerospace Sc, 27

  12. Forecasting the vibrational behavior of large turbogenerators on elastic foundations in accordance with probabilistic methods

    International Nuclear Information System (INIS)

    Simon, G.

    1990-01-01

    Using advanced calculation programs, the inherent behavior and response behavior of structures can reliably be predetermined. In contrast, the dynamic forces affecting a system, in particular unbalances, are often unkown. From balancing of individual rotors, only the vibration path amplitudes at the measuring points used are known. However, these may originate from quite different unbalance distributions. Using probabilistic methods, however, values for the vibrational behavior of the overall structure can be derived from this. (orig.) [de

  13. Petroleum Pumps’ Current and Vibration Signatures Analysis Using Wavelet Coherence Technique

    Directory of Open Access Journals (Sweden)

    Rmdan Shnibha

    2013-01-01

    Full Text Available Vibration analysis is widely used for rotating machinery diagnostics; however measuring vibration of operational oil well pumps is not possible. The pump’s driver’s current signatures may provide condition-related information without the need for an access to the pump itself. This paper investigates the degree of relationship between the pump’s driver’s current signatures and its induced vibration. This relationship between the driver’s current signatures (DCS and its vibration signatures (DVS is studied by calculating magnitude-squared coherence and phase coherence parameters at a certain frequency band using continuous wavelet transform (CWT. The CWT coherence-based technique allows better analysis of temporal evolution of the frequency content of dynamic signals and areas in the time-frequency plane where the two signals exhibit common power or consistent phase behaviour indicating a relationship between the signals. This novel approach is validated by experimental data acquired from 3 kW petroleum pump’s driver. Both vibration and current signatures were acquired under different speed and load conditions. The outcomes of this research suggest the use of DCS analysis as reliable and inexpensive condition monitoring tool, which could be implemented for oil pumps, real-time monitoring associated with condition-based maintenance (CBM program.

  14. On a Non-Symmetric Eigenvalue Problem Governing Interior Structural–Acoustic Vibrations

    Directory of Open Access Journals (Sweden)

    Heinrich Voss

    2016-06-01

    Full Text Available Small amplitude vibrations of a structure completely filled with a fluid are considered. Describing the structure by displacements and the fluid by its pressure field, the free vibrations are governed by a non-self-adjoint eigenvalue problem. This survey reports on a framework for taking advantage of the structure of the non-symmetric eigenvalue problem allowing for a variational characterization of its eigenvalues. Structure-preserving iterative projection methods of the the Arnoldi and of the Jacobi–Davidson type and an automated multi-level sub-structuring method are reviewed. The reliability and efficiency of the methods are demonstrated by a numerical example.

  15. Development of evaluation method on flow-induced vibration and corrosion of components in two-phase flow by coupled analysis. 1. Evaluation of effects of flow-induced vibration on structural material integrity

    International Nuclear Information System (INIS)

    Naitoh, Masanori; Uchida, Shunsuke; Koshizuka, Seiichi; Ninokata, Hisashi; Anahara, Naoki; Dosaki, Koji; Katono, Kenichi; Akiyama, Minoru; Saitoh, Hiroaki

    2007-01-01

    Problems in major components and structural materials in nuclear power plants have often been caused by flow induced vibration, corrosion and their overlapping effects. In order to establish safe and reliable plant operation, it is necessary to predict future problems for structural materials based on combined analyses of flow dynamics and corrosion and to mitigate them before they become serious issues for plant operation. An innovative method for flow induced vibration of structures in two phase flow by combined analyses of three dimensional flow dynamics and structures is to be introduced. (author)

  16. Teachers grading practices : an analysis of the reliability of teacher-assigned grade point average (GPA)

    NARCIS (Netherlands)

    van der Lans, R. M.; van de Grift, W. J. C. M.; van Veen, K.

    2015-01-01

    In previous research, teachers report that they use a hodgepodge of factors when grading students. This has led researchers to suspect that teacher-assigned grades are inflated by teacher-student interactions; the hodgepodge hypothesis. Teachers also are reported to differ in grading leniency; the

  17. Vibrational Characterizations of Zn0.72Li0.28O/Si Thin Films Studied by Fourier Transform Raman Spectroscopy

    International Nuclear Information System (INIS)

    Myo Myat Thet; Win Kyaw; Yin Maung Maung; Ko Ko Kyaw Soe

    2008-03-01

    The Zn0.72Li0.28O/Si (x = 0.28mol%) thin layers were fabricated on p-Si(100) substrate with five different process temperature. Vibrational characterizations of those thin films were investigated by FT- Raman spectroscopy. The resulted spectral line characters have been compared with that of Zn0.72Li0.28O/Glass thin films. Some vibrational motions of starting materials and final(candidate) thin films molecules were found in two substrates of glass and Si and vibrational frequencies were assigned by using molecular spectroscopy. Most of the frequencies of starting and final materials were found to be shifted in each of the films of two different substrates.

  18. Wildlife forensic science: A review of genetic geographic origin assignment.

    Science.gov (United States)

    Ogden, Rob; Linacre, Adrian

    2015-09-01

    Wildlife forensic science has become a key means of enforcing legislation surrounding the illegal trade in protected and endangered species. A relatively new dimension to this area of forensic science is to determine the geographic origin of a seized sample. This review focuses on DNA testing, which relies on assignment of an unknown sample to its genetic population of origin. Key examples of this are the trade in timber, fish and ivory and these are used only to illustrate the large number of species for which this type of testing is potentially available. The role of mitochondrial and nuclear DNA markers is discussed, alongside a comparison of neutral markers with those exhibiting signatures of selection, which potentially offer much higher levels of assignment power to address specific questions. A review of assignment tests is presented along with detailed methods for evaluating error rates and considerations for marker selection. The availability and quality of reference data are of paramount importance to support assignment applications and ensure reliability of any conclusions drawn. The genetic methods discussed have been developed initially as investigative tools but comment is made regarding their use in courts. The potential to compliment DNA markers with elemental assays for greater assignment power is considered and finally recommendations are made for the future of this type of testing. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  19. Vibration mixer

    Energy Technology Data Exchange (ETDEWEB)

    Alekhin, S.A.; Chernov, V.S.; Denisenko, V.V.; Gorodnyanskiy, I.F.; Prokopov, L.I.; Tikhonov, Yu.P.

    1983-01-01

    The vibration mixer is proposed which contains a housing, vibration drive with rod installed in the upper part of the mixing mechanism made in the form of a hollow shaft with blades. In order to improve intensity of mixing and dispersion of the mud, the shaft with the blades is arranged on the rod of the vibrator and is equipped with a cam coupling whose drive disc is attached to the vibration rod. The rod is made helical, while the drive disc of the cam coupling is attached to the helical surface of the rod. In addition, the vibration mixer is equipped with perforated discs installed on the ends of the rods.

  20. Correlation analysis of motor current and chatter vibration in grinding using complex continuous wavelet coherence

    International Nuclear Information System (INIS)

    Liu, Yao; Wang, Xiufeng; Lin, Jing; Zhao, Wei

    2016-01-01

    Motor current is an emerging and popular signal which can be used to detect machining chatter with its multiple advantages. To achieve accurate and reliable chatter detection using motor current, it is important to make clear the quantitative relationship between motor current and chatter vibration, which has not yet been studied clearly. In this study, complex continuous wavelet coherence, including cross wavelet transform and wavelet coherence, is applied to the correlation analysis of motor current and chatter vibration in grinding. Experimental results show that complex continuous wavelet coherence performs very well in demonstrating and quantifying the intense correlation between these two signals in frequency, amplitude and phase. When chatter occurs, clear correlations in frequency and amplitude in the chatter frequency band appear and the phase difference of current signal to vibration signal turns from random to stable. The phase lead of the most correlated chatter frequency is the largest. With the further development of chatter, the correlation grows up in intensity and expands to higher order chatter frequency band. The analyzing results confirm that there is a consistent correlation between motor current and vibration signals in the grinding chatter process. However, to achieve accurate and reliable chatter detection using motor current, the frequency response bandwidth of current loop of the feed drive system must be wide enough to response chatter effectively. (paper)

  1. Experimental and DFT studies on the vibrational spectra of 1H-indene-2-boronic acid

    Science.gov (United States)

    Alver, Özgur; Kaya, Mehmet Fatih

    2014-11-01

    Stable conformers and geometrical molecular structures of 1H-indene-2-boronic acid (I-2B(OH)2) were studied experimentally and theoretically using FT-IR and FT-Raman spectroscopic methods. FT-IR and FT-Raman spectra were recorded in the region of 4000-400 cm-1, and 3700-400 cm-1, respectively. The optimized geometric structures were searched by Becke-3-Lee-Yang-Parr (B3LYP) hybrid density functional theory method with 6-31++G(d,p) basis set. Vibrational wavenumbers of I-2B(OH)2 were calculated using B3LYP density functional methods including 6-31++G(d,p) basis set. Experimental and theoretical results show that density functional B3LYP method gives satisfactory results for predicting vibrational wavenumbers except OH stretching modes which is probably due to increasing unharmonicity in the high wave number region and possible intra and inter molecular interaction at OH edges. To support the assigned vibrational wavenumbers, the potential energy distribution (PED) values were also calculated using VEDA 4 (Vibrational Energy Distribution Analysis) program.

  2. Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method

    Science.gov (United States)

    Muthu, S.; Prabhakaran, A.

    2014-08-01

    In this work, we reported the vibrational spectra of tranexamic acid (TA) by experimental and quantum chemical calculation. The solid phase FT-Raman and FT-IR spectra of the title compound were recorded in the region 4000 cm-1 to 100 cm-1 and 4000 cm-1 to 400 cm-1 respectively. The molecular geometry, harmonic vibrational frequencies and bonding features of TA in the ground state have been calculated by using density functional theory (DFT) B3LYP method with standard 6-31G(d,p) basis set. The scaled theoretical wavenumber showed very good agreement with the experimental values. The vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the σ* and π* antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. The electrostatic potential mapped onto an isodensity surface has been obtained. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The thermodynamic properties (heat capacity, entropy, and enthalpy) of the title compound at different temperatures were calculated in gas phase.

  3. Crystal structure, vibrational and DFT simulation studies of melaminium dihydrogen phosphite monohydrate

    Science.gov (United States)

    Arjunan, V.; Kalaivani, M.; Marchewka, M. K.; Mohan, S.

    2013-08-01

    The crystal structure investigations of melamine with phosphorous acid, namely melaminium dihydrogenphosphite monohydrate (C3N6H7·H2PO3·H2O) have been investigated by means of single crystal X-ray diffraction method. The title compound crystallizes in monoclinic crystal system, and the space group is P21/c with a = 10.069 Å, b = 21.592 Å, c = 12.409 Å and Z = 12. The vibrational assignments and analysis of melaminium dihydrogen phosphite monohydrate have also been performed by FTIR, FT-Raman and far-infrared spectral studies. The quantum chemical simulations were performed with DFT (B3LYP) method using 6-31G**, cc-pVTZ, and 6-311++G** basis sets to determine the energy, structural, thermodynamic parameters and vibrational frequencies of melaminium dihydrogen phosphite monohydrate. The hydrogen atom from phosphorous acid was transferred to the melamine molecule giving the singly protonated melaminium cation. The ability of ions to form spontaneous three-dimensional structure through weak Osbnd H···O and Nsbnd H···O hydrogen bonds shows notable vibrational effects.

  4. The molecular structure of the borate mineral inderite Mg(H4B3O7)(OH) · 5H2O--a vibrational spectroscopic study.

    Science.gov (United States)

    Frost, Ray L; López, Andrés; Xi, Yunfei; Lima, Rosa Malena Fernandes; Scholz, Ricardo; Granja, Amanda

    2013-12-01

    We have undertaken a study of the mineral inderite Mg(H4B3O7)(OH) · 5H2O a hydrated hydroxy borate mineral of magnesium using scanning electron microscopy, thermogravimetry and vibrational spectroscopic techniques. The structure consists of [Formula: see text] soroborate groups and Mg(OH)2(H2O)4 octahedra interconnected into discrete molecules by the sharing of two OH groups. Thermogravimetry shows a mass loss of 47.2% at 137.5 °C, proving the mineral is thermally unstable. Raman bands at 954, 1047 and 1116 cm(-1) are assigned to the trigonal symmetric stretching mode. The two bands at 880 and 916 cm(-1) are attributed to the symmetric stretching mode of the tetrahedral boron. Both the Raman and infrared spectra of inderite show complexity. Raman bands are observed at 3052, 3233, 3330, 3392 attributed to water stretching vibrations and 3459 cm(-1) with sharper bands at 3459, 3530 and 3562 cm(-1) assigned to OH stretching vibrations. Vibrational spectroscopy is used to assess the molecular structure of inderite. Copyright © 2013 Elsevier B.V. All rights reserved.

  5. The Acute Effect of Local Vibration As a Recovery Modality from Exercise-Induced Increased Muscle Stiffness

    Directory of Open Access Journals (Sweden)

    Hervé Pournot, Jérémy Tindel, Rodolphe Testa, Laure Mathevon, Thomas Lapole

    2016-03-01

    Full Text Available Exercise involving eccentric muscle contractions is known to decrease range of motion and increase passive muscle stiffness. This study aimed at using ultrasound shear wave elastography to investigate acute changes in biceps brachii passive stiffness following intense barbell curl exercise involving both concentric and eccentric contractions. The effect of local vibration (LV as a recovery modality from exercise-induced increased stiffness was further investigated. Eleven subjects performed 4 bouts of 10 bilateral barbell curl movements at 70% of the one-rep maximal flexion force. An arm-to-arm comparison model was then used with one arm randomly assigned to the passive recovery condition and the other arm assigned to the LV recovery condition (10 min of 55-Hz vibration frequency and 0.9-mm amplitude. Biceps brachii shear elastic modulus measurements were performed prior to exercise (PRE, immediately after exercise (POST-EX and 5 min after the recovery period (POST-REC. Biceps brachii shear elastic modulus was significantly increased at POST-EX (+53 ± 48%; p < 0.001 and POST-REC (+31 ± 46%; p = 0.025 when compared to PRE. No differences were found between passive and LV recovery (p = 0.210. LV as a recovery strategy from exercise-induced increased muscle stiffness was not beneficial, probably due to an insufficient mechanical action of vibrations.

  6. Production of a Beam of Highly Vibrationally Excited CO Using Perturbations

    Science.gov (United States)

    Bartels, N.; Schäfer, T.; Hühnert, J.; Wodtke, A. M.; Field, R. W.

    2012-06-01

    For many experimentalists (especially those, who are not spectroscopists), molecular pertubations are a curse, as they make assignments and analysis of spectral data more difficult. Nevertheless, they can also be a boon! In this talk we will show how a molecular beam of CO in high vibrational states (v=17,18) can be prepared by an optical pumping scheme that we call PUMP-PUMP-PERTURB and DUMP (P^3D). P^3D exploits the loaning, via spin-orbit perturbations, of the large oscillator strength of the 4th positive system, A ^1 π ← X ^1 Σ ^+, to the triplet manifold. This allows some nominally spin-forbidden transitions to be exploited in multistep optical pumping schemes. The ability to {state-selectively} prepare CO in high vibrational states opens up new opportunities for molecular beam scattering experiments.

  7. Tool-specific performance of vibration-reducing gloves for attenuating fingers-transmitted vibration

    Science.gov (United States)

    Welcome, Daniel E.; Dong, Ren G.; Xu, Xueyan S.; Warren, Christopher; McDowell, Thomas W.

    2016-01-01

    BACKGROUND Fingers-transmitted vibration can cause vibration-induced white finger. The effectiveness of vibration-reducing (VR) gloves for reducing hand transmitted vibration to the fingers has not been sufficiently examined. OBJECTIVE The objective of this study is to examine tool-specific performance of VR gloves for reducing finger-transmitted vibrations in three orthogonal directions (3D) from powered hand tools. METHODS A transfer function method was used to estimate the tool-specific effectiveness of four typical VR gloves. The transfer functions of the VR glove fingers in three directions were either measured in this study or during a previous study using a 3D laser vibrometer. More than seventy vibration spectra of various tools or machines were used in the estimations. RESULTS When assessed based on frequency-weighted acceleration, the gloves provided little vibration reduction. In some cases, the gloves amplified the vibration by more than 10%, especially the neoprene glove. However, the neoprene glove did the best when the assessment was based on unweighted acceleration. The neoprene glove was able to reduce the vibration by 10% or more of the unweighted vibration for 27 out of the 79 tools. If the dominant vibration of a tool handle or workpiece was in the shear direction relative to the fingers, as observed in the operation of needle scalers, hammer chisels, and bucking bars, the gloves did not reduce the vibration but increased it. CONCLUSIONS This study confirmed that the effectiveness for reducing vibration varied with the gloves and the vibration reduction of each glove depended on tool, vibration direction to the fingers, and finger location. VR gloves, including certified anti-vibration gloves do not provide much vibration reduction when judged based on frequency-weighted acceleration. However, some of the VR gloves can provide more than 10% reduction of the unweighted vibration for some tools or workpieces. Tools and gloves can be matched for

  8. Anharmonic Vibrational Spectroscopy on Metal Transition Complexes

    Science.gov (United States)

    Latouche, Camille; Bloino, Julien; Barone, Vincenzo

    2014-06-01

    Advances in hardware performance and the availability of efficient and reliable computational models have made possible the application of computational spectroscopy to ever larger molecular systems. The systematic interpretation of experimental data and the full characterization of complex molecules can then be facilitated. Focusing on vibrational spectroscopy, several approaches have been proposed to simulate spectra beyond the double harmonic approximation, so that more details become available. However, a routine use of such tools requires the preliminary definition of a valid protocol with the most appropriate combination of electronic structure and nuclear calculation models. Several benchmark of anharmonic calculations frequency have been realized on organic molecules. Nevertheless, benchmarks of organometallics or inorganic metal complexes at this level are strongly lacking despite the interest of these systems due to their strong emission and vibrational properties. Herein we report the benchmark study realized with anharmonic calculations on simple metal complexes, along with some pilot applications on systems of direct technological or biological interest.

  9. Experimental and theoretical investigation of vibrational spectra of coordination polymers based on TCE-TTF.

    Science.gov (United States)

    Olejniczak, Iwona; Lapiński, Andrzej; Swietlik, Roman; Olivier, Jean; Golhen, Stéphane; Ouahab, Lahcène

    2011-08-01

    The room-temperature infrared and Raman spectra of a series of four isostructural polymeric salts of 2,3,6,7-tetrakis(2-cyanoethylthio)-tetrathiafulvalene (TCE-TTF) with paramagnetic (Co(II), Mn(II)) and diamagnetic (Zn(II), Cd(II)) ions, together with BF(4)(-) or ClO(4)(-) anions are reported. Infrared and Raman-active modes are identified and assigned based on theoretical calculations for neutral and ionized TCE-TTF using density functional theory (DFT) methods. It is confirmed that the TCE-TTF molecules in all the materials investigated are fully ionized and interact in the crystal structure through cyanoethylthio groups. The vibrational modes related to the C=C stretching vibrations of TCE-TTF are analyzed assuming the occurrence of electron-molecular vibration coupling (EMV). The presence of the antisymmetric C=C dimeric mode provides evidence that charge transfer takes place between TCE-TTF molecules belonging to neighboring polymeric networks. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Flextensional fiber Bragg grating-based accelerometer for low frequency vibration measurement

    Institute of Scientific and Technical Information of China (English)

    Jinghua Zhang; Xueguang Qiao; Manli Hu; Zhongyao Feng; Hong Gao; Yang Yang; Rui Zhou

    2011-01-01

    @@ The intelligent structural health monitoring method,which uses a fiber Bragg grating(FBG)sensor,is a new approach in the field of civil engineering.However,it lacks a reliable FBG-based accelerometer for taking structural low frequency vibration measurements.In this letter,a flextensional FBG-based accelerometer is proposed and demonstrated.The experimental results indicate that the natural frequency of the developed accelerometer is 16.7 Hz,with a high sensitivity of 410.7 pm/g.In addition,it has a broad and flat response over low frequencies ranging from 1 to 10 Hz.The natural frequency and sensitivity of the accelerometer can be tuned by adding mass to tailor the sensor performance to specific applications.Experimental results are presented to demonstrate the good performance of the proposed FBG-based accelerometer.These results show that the proposed accelerometer is satisfactory for low frequency vibration measurements.%The intelligent structural health monitoring method, which uses a fiber Bragg grating {FBG} sensor, ie a new approach in the field of civil engineering. However, it lacks a reliable FBG-based accelerometer for taking structural low frequency vibration measurements. In this letter, a flextensional FBG-based accelerometer is proposed and demonstrated. The experimental results indicate that the natural frequency of the developed accelerometer is 16.7 Hz, with a high sensitivity of 410.7 pm/g. In addition, it has a broad and flat response over low frequencies ranging from 1 to 10 Hz. The natural frequency and sensitivity of the accelerometer can be tuned by adding mass to tailor the sensor performance to specific applications. Experimental results are presented to demonstrate the good performance of the proposed FBG-based accelerometer. These results show that the proposed accelerometer is satisfactory for low frequency vibration measurements.

  11. Theory of vibration protection

    CERN Document Server

    Karnovsky, Igor A

    2016-01-01

    This text is an advancement of the theory of vibration protection of mechanical systems with lumped and distributed parameters. The book offers various concepts and methods of solving vibration protection problems, discusses the advantages and disadvantages of different methods, and the fields of their effective applications. Fundamental approaches of vibration protection, which are considered in this book, are the passive, parametric and optimal active vibration protection. The passive vibration protection is based on vibration isolation, vibration damping and dynamic absorbers. Parametric vibration protection theory is based on the Shchipanov-Luzin invariance principle. Optimal active vibration protection theory is based on the Pontryagin principle and the Krein moment method. The book also contains special topics such as suppression of vibrations at the source of their occurrence and the harmful influence of vibrations on humans. Numerous examples, which illustrate the theoretical ideas of each chapter, ar...

  12. DYNAMIC MODELLING OF VIBRATIONS ASSISTED DRILLING

    Directory of Open Access Journals (Sweden)

    Mathieu LADONNE

    2015-05-01

    Full Text Available The number of multi-materials staking configurations for aeronautical structures is increasing, with the evolution of composite and metallic materials. For drilling the fastening holes, the processes of Vibration Assisted Drilling (VAD expand rapidly, as it permits to improve reliability of drilling operations on multilayer structures. Among these processes of VAD, the solution with forced vibrations added to conventional feed to create a discontinuous cutting is the more developed in industry. The back and forth movement allows to improve the evacuation of chips by breaking it. This technology introduces two new operating parameters, the frequency and the amplitude of the oscillation. To optimize the process, the choice of those parameters requires first to model precisely the operation cutting and dynamics. In this paper, a kinematic modelling of the process is firstly proposed. The limits of the model are analysed through comparison between simulations and measurements. The proposed model is used to develop a cutting force model that allows foreseeing the operating conditions which ensure good chips breaking and tool life improvement.

  13. METAL:LIC target failure diagnostics by means of liquid metal loop vibrations monitoring

    International Nuclear Information System (INIS)

    Dementjevs, S.; Barbagallo, F.; Wohlmuther, M.; Thomsen, K.; Zik, A.; Nikoluskins, R.

    2014-01-01

    A target mock-up, developed as an European Spallation Source comparative solution, (METAL:LIC) has been tested in a dedicated lead bismuth eutectic (LBE) loop in the Institute of Physics at the University of Latvia. In particular, the feasibility of diagnostic vibration monitoring has been investigated. The loop parameters were: operation temperature 300°C; tubing ∅100 mm, overall length 8 m; electromagnetic pump based on permanent magnets, flow rate 180 kg/s. With sufficient static pressure of a few bars, cavitation was avoided. The vibrations in the loop were measured and analyzed. Several vibrational characteristics of the set-up were derived including resonance frequencies and the dependence of excited vibrations on flow conditions and the pump rotation speed. A high sensitivity to obstructions in the loop has been confirmed, and several indicators for target failure diagnostics were tested and compared. A problem in the electromagnetic pump's gear box has been detected in a very early state long before it manifested itself in the operation of the loop. The vibration monitoring has been demonstrated as a sensitive and reliable probe for the target failure diagnostics. (author)

  14. Synthesis of vibration control and health monitoring of building structures under unknown excitation

    International Nuclear Information System (INIS)

    He, Jia; Huang, Qin; Xu, You-Lin

    2014-01-01

    The vibration control and health monitoring of building structures have been actively investigated in recent years but often treated separately according to the primary objective pursued. In this study, a time-domain integrated vibration control and health monitoring approach is proposed based on the extended Kalman filter (EKF) for identifying the physical parameters of the controlled building structures without the knowledge of the external excitation. The physical parameters and state vectors of the building structure are then estimated and used for the determination of the control force for the purpose of the vibration attenuation. The interaction between the health monitoring and vibration control is revealed and assessed. The feasibility and reliability of the proposed approach is numerically demonstrated via a five-story shear building structure equipped with magneto-rheological (MR) dampers. Two types of excitations are considered: (1) the EI-Centro ground excitation underneath of the building and (2) a swept-frequency excitation applied on the top floor of the building. Results show that the structural parameters as well as the unknown dynamic loadings could be identified accurately; and, at the same time, the structural vibration is significantly reduced in the building structure. (paper)

  15. Vibration of machine

    International Nuclear Information System (INIS)

    Kwak, Mun Gyu; Na, Sung Su; Baek, Gwang Hyeon; Song, Chul Gi; Han, Sang Bo

    2001-09-01

    This book deals with vibration of machine which gives descriptions of free vibration using SDOF system, forced vibration using SDOF system, vibration of multi-degree of freedom system like introduction and normal form, distribution system such as introduction, free vibration of bar and practice problem, approximate solution like lumped approximations and Raleigh's quotient, engineering by intuition and experience, real problem and experimental method such as technology of signal, fourier transform analysis, frequency analysis and sensor and actuator.

  16. OD bands in the IR spectra of a deuterated soda-lime-silica glass

    Energy Technology Data Exchange (ETDEWEB)

    Peuker, C.; Brzezinka, K.W.; Gaber, M.; Kohl, A.; Geissler, H. [Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin (Germany)

    2001-07-01

    IR spectra of a deuterated glass of the composition (in mol%) 16 Na{sub 2}O . 10 CaO . 74 SiO{sub 2} complete earlier spectroscopic studies on water-poor soda-lime-silica glasses. The approved IR spectroscopic method of the deuterium exchange allows a reliable assignment of the hydroxyl bands also in the case of glasses. By spectra comparison the assignment of the IR bands at 3500 and 2800 cm{sup -1} to hydroxyl groups with different hydrogen bonding is verified. The IR band at about 4500 cm{sup -1} is interpreted as both a combination of the stretching vibrations {nu}O-H and {nu}Si-OH and a combination of the stretching vibration {nu}O-H and the deformation vibration {delta}SiOH. The bands at 1763 and 1602 cm{sup -1} are attributed to combination vibrations of the glass network. (orig.)

  17. Electromagnetic Linear Vibration Energy Harvester Using Sliding Permanent Magnet Array and Ferrofluid as a Lubricant

    Directory of Open Access Journals (Sweden)

    Song Hee Chae

    2017-09-01

    Full Text Available We present an electromagnetic linear vibration energy harvester with an array of rectangular permanent magnets as a springless proof mass. Instead of supporting the magnet assembly with spring element, ferrofluid has been used as a lubricating material. When external vibration is applied laterally to the harvester, magnet assembly slides back and forth on the channel with reduced friction and wear due to ferrofluid, which significantly improves the long-term reliability of the device. Electric power is generated across an array of copper windings formed at the bottom of the aluminum housing. A proof-of-concept harvester has been fabricated and tested with a vibration exciter at various input frequencies and accelerations. For the device where 5 μL of ferrofluid was used for lubrication, maximum output power of 493 μW has been generated, which was 4.37% higher than that without ferrofluid. Long-term reliability improvement due to ferrofluid lubrication has also been verified. For the device with ferrofluid, 1.02% decrease of output power has been observed, in contrast to 59.73% decrease of output power without ferrofluid after 93,600 cycles.

  18. Linking structure and vibrational mode coupling using high-resolution infrared spectroscopy: A comparison of gauche and trans 1-chloro-2-fluoroethane

    Science.gov (United States)

    Miller, C. Cameron; Stone, Stephen C.; Philips, Laura A.

    1995-01-01

    The high-resolution infrared spectrum of 1-chloro-2-fluoroethane in a molecular beam was collected over the 2975-2994 cm-1 spectral region. The spectral region of 2975-2981 cm-1 contains a symmetric C-H stretching vibrational band of the gauche conformer containing the 35Cl isotope. The spectral region of 2985-2994 cm-1 contains three vibrational bands of the trans conformer. Two of the three bands are assigned as an antisymmetric C-H stretch of each of the two different chlorine isotopes. The third band is assigned as a symmetric C-H stretch of the 35Cl isotope. The gauche conformer of 1-chloro-2-fluoroethane showed doublet patterns similar to those previously observed in 1,2-difluoroethane. The model for 1,2-difluoroethane is further refined in the present work. These refinements suggest that the coupling dark state in 1,2-difluoroethane is composed of 1 quantum C-H bend, 1 quantum C-C stretch, and 12 quanta of torsion. For 1-chloro-2-fluoroethane the dark state could not be identified due to a small data set. The trans conformer of 1-chloro-2-fluoroethane showed no evidence of mode coupling in the three vibrational bands. Including 2-fluoroethanol in this series of molecules, the extent of vibrational mode coupling did not correlate with the density of states available for coupling. Therefore, density of states alone is insufficient to explain the observed trend. A correlation was observed between the degree of intramolecular interaction and vibrational mode coupling.

  19. On estimation of reliability for pipe lines of heat power plants under cyclic loading

    International Nuclear Information System (INIS)

    Verezemskij, V.G.

    1986-01-01

    One of the possible methods to obtain a quantitative estimate of the reliability for pipe lines of the welded heat power plants under cyclic loading due to heating-cooling and due to vibration is considered. Reliability estimate is carried out for a common case of loading by simultaneous cycles with different amplitudes and loading asymmetry. It is shown that scattering of the breaking number of cycles for the metal of welds may perceptibly decrease reliability of the welded pipe line

  20. Scenario based approach to structural damage detection and its value in a risk and reliability perspective

    DEFF Research Database (Denmark)

    Hovgaard, Mads Knude; Hansen, Jannick Balleby; Brincker, Rune

    2013-01-01

    A scenario- and vibration based structural damage detection method is demonstrated though simulation. The method is Finite Element (FE) based. The value of the monitoring is calculated using structural reliability theory. A high cycle fatigue crack propagation model is assumed as the damage mecha......- and without monitoring. Monte Carlo Sampling (MCS) is used to estimate the probabilities and the tower of an onshore NREL 5MW wind turbine is given as a calculation case......A scenario- and vibration based structural damage detection method is demonstrated though simulation. The method is Finite Element (FE) based. The value of the monitoring is calculated using structural reliability theory. A high cycle fatigue crack propagation model is assumed as the damage...

  1. Vibrational Spectroscopy on Photoexcited Dye-Sensitized Films via Pump-Degenerate Four-Wave Mixing.

    Science.gov (United States)

    Abraham, Baxter; Fan, Hao; Galoppini, Elena; Gundlach, Lars

    2018-03-01

    Molecular sensitization of semiconductor films is an important technology for energy and environmental applications including solar energy conversion, photocatalytic hydrogen production, and water purification. Dye-sensitized films are also scientifically complex and interesting systems with a long history of research. In most applications, photoinduced heterogeneous electron transfer (HET) at the molecule/semiconductor interface is of critical importance, and while great progress has been made in understanding HET, many open questions remain. Of particular interest is the role of combined electronic and vibrational effects and coherence of the dye during HET. The ultrafast nature of the process, the rapid intramolecular vibrational energy redistribution, and vibrational cooling present complications in the study of vibronic coupling in HET. We present the application of a time domain vibrational spectroscopy-pump-degenerate four-wave mixing (pump-DFWM)-to dye-sensitized solid-state semiconductor films. Pump-DFWM can measure Raman-active vibrational modes that are triggered by excitation of the sample with an actinic pump pulse. Modifications to the instrument for solid-state samples and its application to an anatase TiO 2 film sensitized by a Zn-porphyrin dye are discussed. We show an effective combination of experimental techniques to overcome typical challenges in measuring solid-state samples with laser spectroscopy and observe molecular vibrations following HET in a picosecond time window. The cation spectrum of the dye shows modes that can be assigned to the linker group and a mode that is localized on the Zn-phorphyrin chromophore and that is connected to photoexcitation.

  2. Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of a biomolecule: 5-Hydroxymethyluracil

    Science.gov (United States)

    Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

    2014-06-01

    In the present work, the experimental and theoretical vibrational spectra of 5-hydroxymethyluracil were investigated. The FT-IR (4000-400 cm-1) spectrum of the molecule in the solid phase was recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared intensities of the title molecule in the ground state were calculated using density functional B3LYP and M06-2X methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data, and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 5-hydroxymethyluracil molecule was also simulated to evaluate the effect of intermolecular hydrogen bonding on its vibrational frequencies. It was observed that the Nsbnd H stretching modes shifted to lower frequencies, while its in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular Nsbnd H⋯O hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented.

  3. Dispersion-corrected first-principles calculation of terahertz vibration, and evidence for weak hydrogen bond formation

    Science.gov (United States)

    Takahashi, Masae; Ishikawa, Yoichi; Ito, Hiromasa

    2013-03-01

    A weak hydrogen bond (WHB) such as CH-O is very important for the structure, function, and dynamics in a chemical and biological system WHB stretching vibration is in a terahertz (THz) frequency region Very recently, the reasonable performance of dispersion-corrected first-principles to WHB has been proven. In this lecture, we report dispersion-corrected first-principles calculation of the vibrational absorption of some organic crystals, and low-temperature THz spectral measurement, in order to clarify WHB stretching vibration. The THz frequency calculation of a WHB crystal has extremely improved by dispersion correction. Moreover, the discrepancy in frequency between an experiment and calculation and is 10 1/cm or less. Dispersion correction is especially effective for intermolecular mode. The very sharp peak appearing at 4 K is assigned to the intermolecular translational mode that corresponds to WHB stretching vibration. It is difficult to detect and control the WHB formation in a crystal because the binding energy is very small. With the help of the latest intense development of experimental and theoretical technique and its careful use, we reveal solid-state WHB stretching vibration as evidence for the WHB formation that differs in respective WHB networks The research was supported by the Ministry of Education, Culture, Sports, Science and Technology of Japan (Grant No. 22550003).

  4. New assignment of 14N NQR spectral lines for tetrazoles derivatives

    Science.gov (United States)

    Mamadazizov, Sultonazar; Shelyapina, Marina G.; Kupriyanova, Galina S.; Mozzhukhin, George V.

    2018-04-01

    In recent years, considerable interest has been shown in the study of tetrazole derivatives, which attract attention as highly nitrogenous compounds for use as an isosteric substitutes for various functional groups that leads to creation of novel biologically active substances. NQR techniques, being sensitive to the local environment of 14N nuclei, provide great opportunities to study these new substances. To make investigation of complex compounds containing tetrazoles derivatives easier and more reliable a correctly assigned 14N NQR spectra of tetrazoles are required. Here we report on the results of our DFT B3LYP calculations of 14N NQR spectral parameters (quadrupole coupling constant Qcc and the asymmetry parameter of the electric field gradient η) for tetrazole, 5-aminotetrazole and 5-aminotetrazole monohydrate. It has been found that the commonly accepted assignment of the 14N NQR spectral lines for these molecules is incorrect. A new assignment for these molecules is proposed.

  5. Confirmation of Thermal Images and Vibration Signals for Intelligent Machine Fault Diagnostics

    Directory of Open Access Journals (Sweden)

    Achmad Widodo

    2012-01-01

    Full Text Available This paper deals with the maintenance technique for industrial machinery using the artificial neural network so-called self-organizing map (SOM. The aim of this work is to develop intelligent maintenance system for machinery based on an alternative way, namely, thermal images instead of vibration signals. SOM is selected due to its simplicity and is categorized as an unsupervised algorithm. Following the SOM training, machine fault diagnostics is performed by using the pattern recognition technique of machine conditions. The data used in this work are thermal images and vibration signals, which were acquired from machine fault simulator (MFS. It is a reliable tool and is able to simulate several conditions of faulty machine such as unbalance, misalignment, looseness, and rolling element bearing faults (outer race, inner race, ball, and cage defects. Data acquisition were conducted simultaneously by infrared thermography camera and vibration sensors installed in the MFS. The experimental data are presented as thermal image and vibration signal in the time domain. Feature extraction was carried out to obtain salient features sensitive to machine conditions from thermal images and vibration signals. These features are then used to train the SOM for intelligent machine diagnostics process. The results show that SOM can perform intelligent fault diagnostics with plausible accuracies.

  6. MEMS Reliability: Infrastructure, Test Structures, Experiments, and Failure Modes

    Energy Technology Data Exchange (ETDEWEB)

    TANNER,DANELLE M.; SMITH,NORMAN F.; IRWIN,LLOYD W.; EATON,WILLIAM P.; HELGESEN,KAREN SUE; CLEMENT,J. JOSEPH; MILLER,WILLIAM M.; MILLER,SAMUEL L.; DUGGER,MICHAEL T.; WALRAVEN,JEREMY A.; PETERSON,KENNETH A.

    2000-01-01

    The burgeoning new technology of Micro-Electro-Mechanical Systems (MEMS) shows great promise in the weapons arena. We can now conceive of micro-gyros, micro-surety systems, and micro-navigators that are extremely small and inexpensive. Do we want to use this new technology in critical applications such as nuclear weapons? This question drove us to understand the reliability and failure mechanisms of silicon surface-micromachined MEMS. Development of a testing infrastructure was a crucial step to perform reliability experiments on MEMS devices and will be reported here. In addition, reliability test structures have been designed and characterized. Many experiments were performed to investigate failure modes and specifically those in different environments (humidity, temperature, shock, vibration, and storage). A predictive reliability model for wear of rubbing surfaces in microengines was developed. The root causes of failure for operating and non-operating MEMS are discussed. The major failure mechanism for operating MEMS was wear of the polysilicon rubbing surfaces. Reliability design rules for future MEMS devices are established.

  7. Ethylenediammonium dication: H-bonded complexes with terephthalate, chloroacetate, phosphite, selenite and sulfamate anions. Detailed vibrational spectroscopic and theoretical studies of ethylenediammonium terephthalate

    Science.gov (United States)

    Marchewka, M. K.; Drozd, M.

    2012-12-01

    Crystalline complexes between ethylenediammonium dication and terephthalate, chloroacetate, phosphite, selenite and sulfamate anions were obtained by slow evaporation from water solution method. Room temperature powder infrared and Raman measurements were carried out. For ethylenediammonium terephthalate theoretical calculations of structure were performed by two ways: ab-initio HF and semiempirical PM3. In this case the PM3 method gave more accurate structure (closer to X-ray results). The additional PM3 calculations of vibrational spectra were performed. On the basis theoretical approach and earlier vibrational studies of similar compounds the vibrational assignments for observed bands have been proposed. All compounds were checked for second harmonic generation (SHG).

  8. Study on design method and vibration reduction characteristic of floating raft with periodic structure

    Science.gov (United States)

    Fang, Yuanyuan; Zuo, Yanyan; Xia, Zhaowang

    2018-03-01

    The noise level is getting higher with the development of high-power marine power plant. Mechanical noise is one of the most obvious noise sources which not only affect equipment reliability, riding comfort and working environment, but also enlarge underwater noise. The periodic truss type device which is commonly applied in fields of aerospace and architectural is introduced to floating raft construction in ship. Four different raft frame structure are designed in the paper. The vibration transmissibility is taken as an evaluation index to measure vibration isolation effect. A design scheme with the best vibration isolation effect is found by numerical method. Plate type and the optimized periodic truss type raft frame structure are processed to experimental verify vibration isolation effect of the structure of the periodic raft. The experimental results demonstrate that the same quality of the periodic truss floating raft has better isolation effect than that of the plate type floating raft.

  9. Performance evaluation of distributed wavelength assignment in WDM optical networks

    Science.gov (United States)

    Hashiguchi, Tomohiro; Wang, Xi; Morikawa, Hiroyuki; Aoyama, Tomonori

    2004-04-01

    In WDM wavelength routed networks, prior to a data transfer, a call setup procedure is required to reserve a wavelength path between the source-destination node pairs. A distributed approach to a connection setup can achieve a very high speed, while improving the reliability and reducing the implementation cost of the networks. However, along with many advantages, several major challenges have been posed by the distributed scheme in how the management and allocation of wavelength could be efficiently carried out. In this thesis, we apply a distributed wavelength assignment algorithm named priority based wavelength assignment (PWA) that was originally proposed for the use in burst switched optical networks to the problem of reserving wavelengths of path reservation protocols in the distributed control optical networks. Instead of assigning wavelengths randomly, this approach lets each node select the "safest" wavelengths based on the information of wavelength utilization history, thus unnecessary future contention is prevented. The simulation results presented in this paper show that the proposed protocol can enhance the performance of the system without introducing any apparent drawbacks.

  10. A fuzzy logic algorithm to assign confidence levels to heart and respiratory rate time series

    International Nuclear Information System (INIS)

    Liu, J; McKenna, T M; Gribok, A; Reifman, J; Beidleman, B A; Tharion, W J

    2008-01-01

    We have developed a fuzzy logic-based algorithm to qualify the reliability of heart rate (HR) and respiratory rate (RR) vital-sign time-series data by assigning a confidence level to the data points while they are measured as a continuous data stream. The algorithm's membership functions are derived from physiology-based performance limits and mass-assignment-based data-driven characteristics of the signals. The assigned confidence levels are based on the reliability of each HR and RR measurement as well as the relationship between them. The algorithm was tested on HR and RR data collected from subjects undertaking a range of physical activities, and it showed acceptable performance in detecting four types of faults that result in low-confidence data points (receiver operating characteristic areas under the curve ranged from 0.67 (SD 0.04) to 0.83 (SD 0.03), mean and standard deviation (SD) over all faults). The algorithm is sensitive to noise in the raw HR and RR data and will flag many data points as low confidence if the data are noisy; prior processing of the data to reduce noise allows identification of only the most substantial faults. Depending on how HR and RR data are processed, the algorithm can be applied as a tool to evaluate sensor performance or to qualify HR and RR time-series data in terms of their reliability before use in automated decision-assist systems

  11. On the design of high-rise buildings with a specified level of reliability

    Science.gov (United States)

    Dolganov, Andrey; Kagan, Pavel

    2018-03-01

    High-rise buildings have a specificity, which significantly distinguishes them from traditional buildings of high-rise and multi-storey buildings. Steel structures in high-rise buildings are advisable to be used in earthquake-proof regions, since steel, due to its plasticity, provides damping of the kinetic energy of seismic impacts. These aspects should be taken into account when choosing a structural scheme of a high-rise building and designing load-bearing structures. Currently, modern regulatory documents do not quantify the reliability of structures. Although the problem of assigning an optimal level of reliability has existed for a long time. The article shows the possibility of designing metal structures of high-rise buildings with specified reliability. Currently, modern regulatory documents do not quantify the reliability of high-rise buildings. Although the problem of assigning an optimal level of reliability has existed for a long time. It is proposed to establish the value of reliability 0.99865 (3σ) for constructions of buildings and structures of a normal level of responsibility in calculations for the first group of limiting states. For increased (construction of high-rise buildings) and reduced levels of responsibility for the provision of load-bearing capacity, it is proposed to assign respectively 0.99997 (4σ) and 0.97725 (2σ). The coefficients of the use of the cross section of a metal beam for different levels of security are given.

  12. Experimental and computational study on molecular structure and vibrational analysis of a modified biomolecule: 5-Bromo-2'-deoxyuridine

    Science.gov (United States)

    Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

    In the present study, the experimental and theoretical vibrational spectra of 5-bromo-2'-deoxyuridine were investigated. The experimental FT-IR (400-4000 cm-1) and μ-Raman spectra (100-4000 cm-1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) were calculated using ab initio Hartree Fock (HF) and density functional B3LYP method with 6-31G(d), 6-31G(d,p), 6-311++G(d) and 6-311++G(d,p) basis sets by Gaussian program, for the first time. The assignments of vibrational frequencies were performed by potential energy distribution by using VEDA 4 program. The optimized geometric parameters and theoretical vibrational frequencies are compared with the corresponding experimental data and they were seen to be in a good agreement with the each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies were found.

  13. Vibrational spectroscopic study of dehydroacetic acid and its cinnamoyl pyrone derivatives

    Science.gov (United States)

    Billes, Ferenc; Elečková, Lenka; Mikosch, Hans; Andruch, Vasil

    2015-07-01

    The infrared and Raman spectra of dehydroacetic acid and some of its derivatives were measured. The assignments of the vibrational bands were based on quantum chemical calculations and normal coordinate analysis. The optimized structures, atomic net charges and dipole moments of the investigated molecules were also results of our quantum chemical calculations. The analysis of the last properties made possible a deeper insight into the structure and substituent effect on the investigated molecules. One of them is presented in the graphical abstract.

  14. Performance of Different Sensors for Monitoring of the Vibration Generated during Thermosonic Non-destructive Testing

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Bu Byoung [Korea Railroad Research Institute, Uiwang (Korea, Republic of)

    2011-04-15

    Vibration monitoring is required for reliable thermosonic testing to decide whether sufficient vibration is achieved in each test for the detection of cracks. From a practical point of view, a cheaper and convenient monitoring method is better for the application to real tests. Therefore, the performance of different sensors for vibration monitoring was investigated and compared in this study to find a convenient and acceptable measurement method for thermosonics. Velocity measured by a laser vibrometer and strain provide an equivalent HI when measured at the same position. The microphone can provide a cheaper vibration monitoring device than the laser and the heating index calculated by a microphone signal shows similar characteristics to that calculated from velocity measured by the laser vibrometer. The microphone frequency response shows that it underestimates high frequency components but it is applicable to practical tests because it gives a conservative value of HI

  15. Comparing the performance-enhancing effects of squats on a vibration platform with conventional squats in recreationally resistance-trained men.

    Science.gov (United States)

    Rønnestad, Bent R

    2004-11-01

    The purpose of this investigation was to compare the performance-enhancing effects of squats on a vibration platform with conventional squats in recreationally resistance-trained men. The subjects were 14 recreationally resistance-trained men (age, 21-40 years) and the intervention period consisted of 5 weeks. After the initial testing, subjects were randomly assigned to either the "squat whole body vibration" (SWBV) group (n = 7), which performed squats on a vibration platform on a Smith Machine, or the "squat"(S) group (n = 7), which performed conventional squats with no vibrations on a Smith Machine. Testing was performed at the beginning and the end of the study and consisted of 1 repetition maximum (1RM) in squat and maximum jump height in countermovement jump (CMJ). A modified daily undulating periodization program was used during the intervention period in both groups. Both groups trained at the same percentage of 1RM in squats (6-10RM). After the intervention, CMJ performance increased significantly only in the SWBV (p squats (p squats performed on a vibration platform compared with squats without vibrations regarding maximal strength and explosive power as long as the external load is similar in recreationally resistance-trained men.

  16. Vibrational spectroscopy of the borate mineral kotoite Mg₃(BO₃)₂.

    Science.gov (United States)

    Frost, Ray L; Xi, Yunfei

    2013-02-15

    Vibrational spectroscopy has been used to assess the structure of kotoite a borate mineral of magnesium which is isostructural with jimboite. The mineral is orthorhombic with point group: 2/m 2/m 2/m. The mineral has the potential as a new memory insulator material. The mineral has been characterised by a combination of Raman and infrared spectroscopy. The Raman spectrum is dominated by a very intense band at 835 cm(-1), assigned to the symmetric stretching mode of tetrahedral boron. Raman bands at 919, 985 and 1015 cm(-1) are attributed to the antisymmetric stretching modes of tetrahedral boron. Kotoite is strictly an hydrous borate mineral. An intense Raman band observed at 3559 cm(-1) is attributed to the stretching vibration of hydroxyl units, more likely to be associated with the borate mineral hydroxyborate. The lack of observation of water bending modes proves the absence of water in the kotoite structure. Copyright © 2012 Elsevier B.V. All rights reserved.

  17. Vibration Feature Extraction and Analysis for Fault Diagnosis of Rotating Machinery-A Literature Survey

    Directory of Open Access Journals (Sweden)

    Saleem Riaz

    2017-02-01

    Full Text Available Safety, reliability, efficiency and performance of rotating machinery in all industrial applications are the main concerns. Rotating machines are widely used in various industrial applications. Condition monitoring and fault diagnosis of rotating machinery faults are very important and often complex and labor-intensive. Feature extraction techniques play a vital role for a reliable, effective and efficient feature extraction for the diagnosis of rotating machinery. Therefore, developing effective bearing fault diagnostic method using different fault features at different steps becomes more attractive. Bearings are widely used in medical applications, food processing industries, semi-conductor industries, paper making industries and aircraft components. This paper review has demonstrated that the latest reviews applied to rotating machinery on the available a variety of vibration feature extraction. Generally literature is classified into two main groups: frequency domain, time frequency analysis. However, fault detection and diagnosis of rotating machine vibration signal processing methods to present their own limitations. In practice, most healthy ingredients faulty vibration signal from background noise and mechanical vibration signals are buried. This paper also reviews that how the advanced signal processing methods, empirical mode decomposition and interference cancellation algorithm has been investigated and developed. The condition for rotating machines based rehabilitation, prevent failures increase the availability and reduce the cost of maintenance is becoming necessary too. Rotating machine fault detection and diagnostics in developing algorithms signal processing based on a key problem is the fault feature extraction or quantification. Currently, vibration signal, fault detection and diagnosis of rotating machinery based techniques most widely used techniques. Furthermore, the researchers are widely interested to make automatic

  18. Symmetry-Adapted Ro-vibrational Basis Functions for Variational Nuclear Motion Calculations: TROVE Approach.

    Science.gov (United States)

    Yurchenko, Sergei N; Yachmenev, Andrey; Ovsyannikov, Roman I

    2017-09-12

    We present a general, numerically motivated approach to the construction of symmetry-adapted basis functions for solving ro-vibrational Schrödinger equations. The approach is based on the property of the Hamiltonian operator to commute with the complete set of symmetry operators and, hence, to reflect the symmetry of the system. The symmetry-adapted ro-vibrational basis set is constructed numerically by solving a set of reduced vibrational eigenvalue problems. In order to assign the irreducible representations associated with these eigenfunctions, their symmetry properties are probed on a grid of molecular geometries with the corresponding symmetry operations. The transformation matrices are reconstructed by solving overdetermined systems of linear equations related to the transformation properties of the corresponding wave functions on the grid. Our method is implemented in the variational approach TROVE and has been successfully applied to many problems covering the most important molecular symmetry groups. Several examples are used to illustrate the procedure, which can be easily applied to different types of coordinates, basis sets, and molecular systems.

  19. Anti-vibration gloves?

    Science.gov (United States)

    Hewitt, Sue; Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W

    2015-03-01

    For exposure to hand-transmitted vibration (HTV), personal protective equipment is sold in the form of anti-vibration (AV) gloves, but it remains unclear how much these gloves actually reduce vibration exposure or prevent the development of hand-arm vibration syndrome in the workplace. This commentary describes some of the issues that surround the classification of AV gloves, the assessment of their effectiveness and their applicability in the workplace. The available information shows that AV gloves are unreliable as devices for controlling HTV exposures. Other means of vibration control, such as using alternative production techniques, low-vibration machinery, routine preventative maintenance regimes, and controlling exposure durations are far more likely to deliver effective vibration reductions and should be implemented. Furthermore, AV gloves may introduce some adverse effects such as increasing grip force and reducing manual dexterity. Therefore, one should balance the benefits of AV gloves and their potential adverse effects if their use is considered. © Crown copyright 2014.

  20. The recruiter's excitement--features of thoracic vibrations during the honey bee's waggle dance related to food source profitability.

    Science.gov (United States)

    Hrncir, Michael; Maia-Silva, Camila; Mc Cabe, Sofia I; Farina, Walter M

    2011-12-01

    The honey bee's waggle dance constitutes a remarkable example of an efficient code allowing social exploitation of available feeding sites. In addition to indicating the position (distance, direction) of a food patch, both the occurrence and frequency of the dances depend on the profitability of the exploited resource (sugar concentration, solution flow rate). During the waggle dance, successful foragers generate pulsed thoracic vibrations that putatively serve as a source of different kinds of information for hive bees, who cannot visually decode dances in the darkness of the hive. In the present study, we asked whether these vibrations are a reliable estimator of the excitement of the dancer when food profitability changes in terms of both sugar concentration and solution flow rate. The probability of producing thoracic vibrations as well as several features related to their intensity during the waggle phase (pulse duration, velocity amplitude, duty cycle) increased with both these profitability variables. The number of vibratory pulses, however, was independent of sugar concentration and reward rate exploited. Thus, pulse number could indeed be used by dance followers as reliable information about food source distance, as suggested in previous studies. The variability of the dancer's thoracic vibrations in relation to changes in food profitability suggests their role as an indicator of the recruiter's motivational state. Hence, the vibrations could make an important contribution to forager reactivation and, consequently, to the organisation of collective foraging processes in honey bees.

  1. Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree-Fock and density functional theory calculations

    Science.gov (United States)

    Ucun, Fatih; Sağlam, Adnan; Güçlü, Vesile

    2007-06-01

    The molecular structures, vibrational frequencies and corresponding vibrational assignments of xanthine and its methyl derivatives (caffeine and theobromine) have been calculated using ab initio Hartree-Fock (HF) and density functional theory (B3LYP) methods with 6-31G(d, p) basis set level. The calculations were utilized to the CS symmetries of the molecules. The obtained vibrational frequencies and optimised geometric parameters (bond lengths and bond angles) were seen to be well agreement with the experimental data. The used scale factors which have been obtained the ratio of the frequency values of the strongest peaks in the calculated and experimental spectra seem to cause the gained vibrations well corresponding to the experimental ones. Theoretical infrared intensities and Raman activities are also reported.

  2. DFT study of conformational and vibrational characteristics of 2-(2-hydroxyphenyl)benzothiazole molecule.

    Science.gov (United States)

    Pandey, Urmila; Srivastava, Mayuri; Singh, R P; Yadav, R A

    2014-08-14

    The conformational and IR and Raman spectral studies of 2-(2-hydroxyphenyl)benzothiazole have been carried out by using the DFT method at the B3LYP/6-311++G(**) level. The detailed vibrational assignments have been done on the basis of calculated potential energy distributions. Comparative studies of molecular geometries, atomic charges and vibrational fundamentals of all the conformers have been made. There are four possible conformers for this molecule. The optimized geometrical parameters obtained by B3LYP/6-311++G(**) method showed good agreement with the experimental X-ray data. The atomic polar tensor (APT) charges, Mulliken atomic charges, natural bond orbital (NBO) analysis and HOMO-LUMO energy gap of HBT and its conformers were also computed. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Experimental and theoretical study on the structure and vibrational spectra of β-2-aminopyridinium dihydrogenphosphate

    Science.gov (United States)

    Çırak, Çağrı; Demir, Selçuk; Ucun, Fatih; Çubuk, Osman

    2011-08-01

    Experimental and theoretical vibrational spectra of β-2-aminopyridinium dihydrogenphosphate (β-2APDP) have been investigated. The FT-IR spectrum of β-2APDP was recorded in the region 4000-400 cm -1. The optimized molecular structure and theoretical vibrational frequencies of β-2APDP have been investigated using ab initio Hartree-Fock (HF) and density functional B3LYP method with 6-311++G(d,p) basis set. The optimized geometric parameters (bond lengths and bond angles) and theoretical frequencies have been compared with the corresponding experimental data and it is found that they agree well with each other. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. Furthermore, the used scale factors were obtained from the ratio of the frequency values of the strongest peaks in the experimental and theoretical IR spectra. From the results it was concluded that the B3LYP method is superior to the HF method for the vibrational frequencies.

  4. Protein secondary structure assignment revisited: a detailed analysis of different assignment methods

    Directory of Open Access Journals (Sweden)

    de Brevern Alexandre G

    2005-09-01

    Full Text Available Abstract Background A number of methods are now available to perform automatic assignment of periodic secondary structures from atomic coordinates, based on different characteristics of the secondary structures. In general these methods exhibit a broad consensus as to the location of most helix and strand core segments in protein structures. However the termini of the segments are often ill-defined and it is difficult to decide unambiguously which residues at the edge of the segments have to be included. In addition, there is a "twilight zone" where secondary structure segments depart significantly from the idealized models of Pauling and Corey. For these segments, one has to decide whether the observed structural variations are merely distorsions or whether they constitute a break in the secondary structure. Methods To address these problems, we have developed a method for secondary structure assignment, called KAKSI. Assignments made by KAKSI are compared with assignments given by DSSP, STRIDE, XTLSSTR, PSEA and SECSTR, as well as secondary structures found in PDB files, on 4 datasets (X-ray structures with different resolution range, NMR structures. Results A detailed comparison of KAKSI assignments with those of STRIDE and PSEA reveals that KAKSI assigns slightly longer helices and strands than STRIDE in case of one-to-one correspondence between the segments. However, KAKSI tends also to favor the assignment of several short helices when STRIDE and PSEA assign longer, kinked, helices. Helices assigned by KAKSI have geometrical characteristics close to those described in the PDB. They are more linear than helices assigned by other methods. The same tendency to split long segments is observed for strands, although less systematically. We present a number of cases of secondary structure assignments that illustrate this behavior. Conclusion Our method provides valuable assignments which favor the regularity of secondary structure segments.

  5. Ultra-low-vibration pulse-tube cryocooler system - cooling capacity and vibration

    Science.gov (United States)

    Ikushima, Yuki; Li, Rui; Tomaru, Takayuki; Sato, Nobuaki; Suzuki, Toshikazu; Haruyama, Tomiyoshi; Shintomi, Takakazu; Yamamoto, Akira

    2008-09-01

    This report describes the development of low-vibration cooling systems with pulse-tube (PT) cryocoolers. Generally, PT cryocoolers have the advantage of lower vibrations in comparison to those of GM cryocoolers. However, cooling systems for the cryogenic laser interferometer observatory (CLIO), which is a gravitational wave detector, require an operational vibration that is sufficiently lower than that of a commercial PT cryocooler. The required specification for the vibration amplitude in cold stages is less than ±1 μm. Therefore, during the development of low-vibration cooling systems for the CLIO, we introduced advanced countermeasures for commercial PT cryocoolers. The cooling performance and the vibration amplitude were evaluated. The results revealed that 4 K and 80 K PT cooling systems with a vibration amplitude of less than ±1 μm and cooling performance of 4.5 K and 70 K at heat loads of 0.5 W and 50 W, respectively, were developed successfully.

  6. Analysis of NPP protection structure reliability under impact of a falling aircraft

    International Nuclear Information System (INIS)

    Shul'man, G.S.

    1996-01-01

    Methodology for evaluation of NPP protection structure reliability by impact of aircraft fall down is considered. The methodology is base on the probabilistic analysis of all potential events. The problem is solved in three stages: determination of loads on structural units, calculation of local reliability of protection structures by assigned loads and estimation of the structure reliability. The methodology proposed may be applied at the NPP design stage and by determination of reliability of already available structures

  7. Vibrational inelastic and charge transfer processes in H++H2 system: An ab initio study

    Science.gov (United States)

    Amaran, Saieswari; Kumar, Sanjay

    2007-12-01

    State-resolved differential cross sections, total and integral cross sections, average vibrational energy transfer, and the relative probabilities are computed for the H++H2 system using the newly obtained ab initio potential energy surfaces at the full CI/cc-pVQZ level of accuracy which allow for both the direct vibrational inelastic and the charge transfer processes. The quantum dynamics is treated within the vibrational close-coupling infinite-order-sudden approximation approach using the two ab initio quasidiabatic potential energy surfaces. The computed collision attributes for both the processes are compared with the available state-to-state scattering experiments at Ec.m.=20eV. The results are in overall good agreement with most of the observed scattering features such as rainbow positions, integral cross sections, and relative vibrational energy transfers. A comparison with the earlier theoretical study carried out on the semiempirical surfaces (diatomics in molecules) is also made to illustrate the reliability of the potential energy surfaces used in the present work.

  8. ASSESSING AND COMBINING RELIABILITY OF PROTEIN INTERACTION SOURCES

    Science.gov (United States)

    LEACH, SONIA; GABOW, AARON; HUNTER, LAWRENCE; GOLDBERG, DEBRA S.

    2008-01-01

    Integrating diverse sources of interaction information to create protein networks requires strategies sensitive to differences in accuracy and coverage of each source. Previous integration approaches calculate reliabilities of protein interaction information sources based on congruity to a designated ‘gold standard.’ In this paper, we provide a comparison of the two most popular existing approaches and propose a novel alternative for assessing reliabilities which does not require a gold standard. We identify a new method for combining the resultant reliabilities and compare it against an existing method. Further, we propose an extrinsic approach to evaluation of reliability estimates, considering their influence on the downstream tasks of inferring protein function and learning regulatory networks from expression data. Results using this evaluation method show 1) our method for reliability estimation is an attractive alternative to those requiring a gold standard and 2) the new method for combining reliabilities is less sensitive to noise in reliability assignments than the similar existing technique. PMID:17990508

  9. Development of real-time on-line vibration testing system for seismic experiments

    International Nuclear Information System (INIS)

    Horiuchi, T.; Nakagawa, M.; Kametani, M.

    1993-01-01

    An on-line vibration testing method is being developed for seismic experiments. This method combines computer simulation and an actuator for vibration testing of structures. A real-time, on-line testing system was developed to improve the method. In the system, the timing of the vibration testing and the computer simulation are the same. This allows time-dependent reaction forces, such as damping force, to be immediately considered in the computer simulation. The real-time system has many requirements, such as complicated matrix calculations within a small time step, and communication with outer devices like sensors and actuators through A/D and D/A converters. These functions arc accomplished by using a newly-developed, real-time controller that employs a parallel processing technique. A small structural model is used to demonstrate the system. The reliability and applicability of the system for seismic experiments can be demonstrated by comparing the results of the system and a shaking table, which are in almost agreement. (author)

  10. Whole-body vibration training effects on the physical performance of basketball players.

    Science.gov (United States)

    Colson, Serge S; Pensini, Manuela; Espinosa, Julien; Garrandes, Frederic; Legros, Patrick

    2010-04-01

    The aim of this study was to investigate the influence of 4 weeks of whole-body vibration training added to the conventional training of basketball players. Eighteen competitive basketball players (13 male symbol, 5 female symbol, 18-24 years old) were randomly assigned to a whole-body vibration group (WBVG, n = 10; 7 male symbol and 3 female symbol) or a control group (CG, n = 8; 6 male symbol and 2 female symbol). During the 4-week period, all subjects maintained their conventional basketball training program. The members of WBVG were additionally trained 3 times a week for 20 minutes on a vibration platform (10 unloaded static lower limb exercises, 40-Hz, 4-mm, Silverplate). Testing was performed before and after the 4-week period and comprised strength assessment, vertical jump performance, and a 10-m sprint test. The maximal voluntary isometric strength of the knee extensors significantly increased (p training, as did squat jump (SJ) height (p training program added to the conventional training of basketball players during the preseason is an effective short-term stimulus to enhance knee extensor strength and slightly SJ performance.

  11. Computer modeling of flow induced in-reactor vibrations

    International Nuclear Information System (INIS)

    Turula, P.; Mulcahy, T.M.

    1977-01-01

    An assessment of the reliability of finite element method computer models, as applied to the computation of flow induced vibration response of components used in nuclear reactors, is presented. The prototype under consideration was the Fast Flux Test Facility reactor being constructed for US-ERDA. Data were available from an extensive test program which used a scale model simulating the hydraulic and structural characteristics of the prototype components, subjected to scaled prototypic flow conditions as well as to laboratory shaker excitations. Corresponding analytical solutions of the component vibration problems were obtained using the NASTRAN computer code. Modal analyses and response analyses were performed. The effect of the surrounding fluid was accounted for. Several possible forcing function definitions were considered. Results indicate that modal computations agree well with experimental data. Response amplitude comparisons are good only under conditions favorable to a clear definition of the structural and hydraulic properties affecting the component motion. 20 refs

  12. Designing reliable supply chain network with disruption risk

    Directory of Open Access Journals (Sweden)

    Ali Bozorgi Amiri

    2013-01-01

    Full Text Available Although supply chains disruptions rarely occur, their negative effects are prolonged and severe. In this paper, we propose a reliable capacitated supply chain network design (RSCND model by considering random disruptions in both distribution centers and suppliers. The proposed model determines the optimal location of distribution centers (DC with the highest reliability, the best plan to assign customers to opened DCs and assigns opened DCs to suitable suppliers with lowest transportation cost. In this study, random disruption occurs at the location, capacity of the distribution centers (DCs and suppliers. It is assumed that a disrupted DC and a disrupted supplier may lose a portion of their capacities, and the rest of the disrupted DC's demand can be supplied by other DCs. In addition, we consider shortage in DCs, which can occur in either normal or disruption conditions and DCs, can support each other in such circumstances. Unlike other studies in the extent of literature, we use new approach to model the reliability of DCs; we consider a range of reliability instead of using binary variables. In order to solve the proposed model for real-world instances, a Non-dominated Sorting Genetic Algorithm-II (NSGA-II is applied. Preliminary results of testing the proposed model of this paper on several problems with different sizes provide seem to be promising.

  13. AN ENHANCED EQUATION FOR VIBRATION PREDICTION OF NEW TYPES OF SHIPS

    Directory of Open Access Journals (Sweden)

    Valer Cergol

    2015-09-01

    Full Text Available AA simplified approach developed to evaluate the vibration levels of complex structures such as passenger and similar ships with large shell and deck openings and extended superstructures is here presented. The final objective is to give an useful tool to ship designers, to establish since the first design stage the dynamic response of the ship with sufficient precision. This approach is based on the assumption that the ship hull can be represented as a non uniform section beam. The propeller excitations in terms of pressure pulses and shaft line moments and forces are introduced. To take into account this exciting source in the early design stage a statistical formula for dynamic excitation of propeller was developed. Furthermore the superimposition of local effects has been performed with the use of an analytical formula. The local effect due to the different space topologies such as cabins, public spaces, technical and machinery areas has been taken into account. The transversal beams, longitudinal girders, stiffeners and pillars as supported structural elements are considered in the vibration local response. The reliability of the results obtained using the formula has been improved with more precise results obtained by FEM analysis. The calculated vibration response has been verified and compared to vibration measurements performed on board of ships.

  14. Fingers' vibration transmission and grip strength preservation performance of vibration reducing gloves.

    Science.gov (United States)

    Hamouda, K; Rakheja, S; Dewangan, K N; Marcotte, P

    2018-01-01

    The vibration isolation performances of vibration reducing (VR) gloves are invariably assessed in terms of power tools' handle vibration transmission to the palm of the hand using the method described in ISO 10819 (2013), while the nature of vibration transmitted to the fingers is ignored. Moreover, the VR gloves with relatively low stiffness viscoelastic materials affect the grip strength in an adverse manner. This study is aimed at performance assessments of 12 different VR gloves on the basis of handle vibration transmission to the palm and the fingers of the gloved hand, together with reduction in the grip strength. The gloves included 3 different air bladder, 3 gel, 3 hybrid, and 2 gel-foam gloves in addition to a leather glove. Two Velcro finger adapters, each instrumented with a three-axis accelerometer, were used to measure vibration responses of the index and middle fingers near the mid-phalanges. Vibration transmitted to the palm was measured using the standardized palm adapter. The vibration transmissibility responses of the VR gloves were measured in the laboratory using the instrumented cylindrical handle, also described in the standard, mounted on a vibration exciter. A total of 12 healthy male subjects participated in the study. The instrumented handle was also used to measure grip strength of the subjects with and without the VR gloves. The results of the study showed that the VR gloves, with only a few exceptions, attenuate handle vibration transmitted to the fingers only in the 10-200 Hz and amplify middle finger vibration at frequencies exceeding 200 Hz. Many of the gloves, however, provided considerable reduction in vibration transmitted to the palm, especially at higher frequencies. These suggest that the characteristics of vibration transmitted to fingers differ considerably from those at the palm. Four of the test gloves satisfied the screening criteria of the ISO 10819 (2013) based on the palm vibration alone, even though these caused

  15. MOLECULAR STRUCTURE AND VIBRATIONAL FREQUENCIES OF

    Directory of Open Access Journals (Sweden)

    Fatih UCUN

    2009-02-01

    Full Text Available Abstract: The molecular structure, vibrational frequencies and the corresponding assignments of N-aminophthalimide (NAPH in the ground state have been calculated using the Hartree-Fock (HF and density functional methods (B3LYP with 6-31G (d, p basis set. The calculations were utilized in the CS symmetry of NAPH. The obtained vibrational frequencies and optimized geometric parameters (bond lengths and bond angles were seen to be in good agreement with the experimental data. The comparison of the observed and calculated results showed that B3LYP is superior to the scaled HF method. Theoretical infrared intensities and Raman activities were also reported. Key words: N-aminophthalimide; vibrations; IR spectra; Raman spectra; HF; DFT N-AMİNOFİTALOMİD'İN MOLEKÜLER YAPISI VE TİTREŞİM FREKANSLARI Özet: Temel haldeki N-aminofitalamidin (NAPH moleküler yapısı, titreşim frekansları ve uygun mod tanımlamaları, 6-31 G (d, p temel setli Hartree-Fock (HF ve yoğunluk fonksiyonu metodları (B3LYP kullanılarak hesaplandı. Hesaplamalar, NAPH'ın CS simetrisine uyarlandı. Elde edilen titreşim frekansları ve optimize geometrik parametreleri (bağ uzunlukları ve bağ açıları, deneysel değerlerle iyi bir uyum içinde olduğu görüldü. Deneysel ve teorik sonuçların karşılaştırılması, B3LYP'nin HF metodundan daha üstün olduğunu gösterdi. Ayrıca teorik infrared şiddetleri ve Raman aktiviteleri verildi. Anahtar Kelimeler: N-aminofitalamidin; titreşimler; IR spektrumu; Raman Spektrumu; HF; DFT

  16. Numerical-analytic implementation of the higher-order canonical Van Vleck perturbation theory for the interpretation of medium-sized molecule vibrational spectra.

    Science.gov (United States)

    Krasnoshchekov, Sergey V; Isayeva, Elena V; Stepanov, Nikolay F

    2012-04-12

    Anharmonic vibrational states of semirigid polyatomic molecules are often studied using the second-order vibrational perturbation theory (VPT2). For efficient higher-order analysis, an approach based on the canonical Van Vleck perturbation theory (CVPT), the Watson Hamiltonian and operators of creation and annihilation of vibrational quanta is employed. This method allows analysis of the convergence of perturbation theory and solves a number of theoretical problems of VPT2, e.g., yields anharmonic constants y(ijk), z(ijkl), and allows the reliable evaluation of vibrational IR and Raman anharmonic intensities in the presence of resonances. Darling-Dennison and higher-order resonance coupling coefficients can be reliably evaluated as well. The method is illustrated on classic molecules: water and formaldehyde. A number of theoretical conclusions results, including the necessity of using sextic force field in the fourth order (CVPT4) and the nearly vanishing CVPT4 contributions for bending and wagging modes. The coefficients of perturbative Dunham-type Hamiltonians in high-orders of CVPT are found to conform to the rules of equality at different orders as earlier proven analytically for diatomic molecules. The method can serve as a good substitution of the more traditional VPT2.

  17. Systems reliability analysis for the national ignition facility

    International Nuclear Information System (INIS)

    Majumdar, K.C.; Annese, C.E.; MacIntyre, A.T.; Sicherman, A.

    1996-01-01

    A Reliability, Availability and Maintainability (RAM) analysis was initiated for the National Ignition Facility (NIF). The NIF is an inertial confinement fusion research facility designed to achieve controlled thermonuclear reaction; the preferred site for the NIF is the Lawrence Livermore National Laboratory (LLNL). The NIF RAM analysis has three purposes: (1) to allocate top level reliability and availability goals for the systems, (2) to develop an operability model for optimum maintainability, and (3) to determine the achievability of the allocated goals of the RAM parameters for the NIF systems and the facility operation as a whole. An allocation model assigns the reliability and availability goals for front line and support systems by a top-down approach; reliability analysis uses a bottom-up approach to determine the system reliability and availability from component level to system level

  18. DNA barcoding for species assignment: the case of Mediterranean marine fishes.

    Directory of Open Access Journals (Sweden)

    Monica Landi

    Full Text Available DNA barcoding enhances the prospects for species-level identifications globally using a standardized and authenticated DNA-based approach. Reference libraries comprising validated DNA barcodes (COI constitute robust datasets for testing query sequences, providing considerable utility to identify marine fish and other organisms. Here we test the feasibility of using DNA barcoding to assign species to tissue samples from fish collected in the central Mediterranean Sea, a major contributor to the European marine ichthyofaunal diversity.A dataset of 1278 DNA barcodes, representing 218 marine fish species, was used to test the utility of DNA barcodes to assign species from query sequences. We tested query sequences against 1 a reference library of ranked DNA barcodes from the neighbouring North East Atlantic, and 2 the public databases BOLD and GenBank. In the first case, a reference library comprising DNA barcodes with reliability grades for 146 fish species was used as diagnostic dataset to screen 486 query DNA sequences from fish specimens collected in the central basin of the Mediterranean Sea. Of all query sequences suitable for comparisons 98% were unambiguously confirmed through complete match with reference DNA barcodes. In the second case, it was possible to assign species to 83% (BOLD-IDS and 72% (GenBank of the sequences from the Mediterranean. Relatively high intraspecific genetic distances were found in 7 species (2.2%-18.74%, most of them of high commercial relevance, suggesting possible cryptic species.We emphasize the discriminatory power of COI barcodes and their application to cases requiring species level resolution starting from query sequences. Results highlight the value of public reference libraries of reliability grade-annotated DNA barcodes, to identify species from different geographical origins. The ability to assign species with high precision from DNA samples of disparate quality and origin has major utility in several

  19. Spectroscopic and vibrational analysis of the methoxypsoralen system: A comparative experimental and theoretical study

    Science.gov (United States)

    Liu, Y.; Yuan, H.; Vo-Dinh, T.

    2013-03-01

    Raman spectra measurements and density functional theory (DFT) calculations were performed to investigate three psoralens: 5-amino-8-methoxypsoralen (5-A-8-MOP), 5-methoxypsoralen (5-MOP) and 8-methoxypsoralen (8-MOP) with the aim of differentiating these similar bioactive molecules. The Raman spectra were recorded in the region 300-3500 cm-1. All three psoralens were found to have similar Raman spectrum in the region 1500-1650 cm-1. 5-A-8-MOP can be easily differentiated from 5-MOP or 8-MOP based on the Raman spectrum. The Raman spectrum differences at 651 and 795 cm-1 can be used to identify 5-MOP from 8-MOP. The theoretically computed vibrational frequencies and relative peak intensities were compared with experimental data. DFT calculations using the B3LYP method and 6-311++G(d,p) basis set were found to yield results that are very comparable to experimental Raman spectra. Detailed vibrational assignments were performed with DFT calculations and the potential energy distribution (PED) obtained from the Vibrational Energy Distribution Analysis (VEDA) program.

  20. Reliability of sonographic assessment of tendinopathy in tennis elbow.

    Science.gov (United States)

    Poltawski, Leon; Ali, Syed; Jayaram, Vijay; Watson, Tim

    2012-01-01

    To assess the reliability and compute the minimum detectable change using sonographic scales to quantify the extent of pathology and hyperaemia in the common extensor tendon in people with tennis elbow. The lateral elbows of 19 people with tennis elbow were assessed sonographically twice, 1-2 weeks apart. Greyscale and power Doppler images were recorded for subsequent rating of abnormalities. Tendon thickening, hypoechogenicity, fibrillar disruption and calcification were each rated on four-point scales, and scores were summed to provide an overall rating of structural abnormality; hyperaemia was scored on a five point scale. Inter-rater reliability was established using the intraclass correlation coefficient (ICC) to compare scores assigned independently to the same set of images by a radiologist and a physiotherapist with training in musculoskeletal imaging. Test-retest reliability was assessed by comparing scores assigned by the physiotherapist to images recorded at the two sessions. The minimum detectable change (MDC) was calculated from the test-retest reliability data. ICC values for inter-rater reliability ranged from 0.35 (95% CI: 0.05, 0.60) for fibrillar disruption to 0.77 (0.55, 0.88) for overall greyscale score, and 0.89 (0.79, 0.95) for hyperaemia. Test-retest reliability ranged from 0.70 (0.48, 0.84) for tendon thickening to 0.82 (0.66, 0.90) for overall greyscale score and 0.86 (0.73, 0.93) for calcification. The MDC for the greyscale total score was 2.0/12 and for the hyperaemia score was 1.1/5. The sonographic scoring system used in this study may be used reliably to quantify tendon abnormalities and change over time. A relatively inexperienced imager can conduct the assessment and use the rating scales reliably.

  1. Cemal PARLAK 1, *, Özgür ALVER 2

    Directory of Open Access Journals (Sweden)

    Cemal Parlak

    2016-10-01

    Full Text Available The structure of 1-(2-nitrophenylpiperazine (NPP, C10H13N3O2 was characterized by nuclear magnetic resonance (NMR, Fourier Transform infrared (FTIR and Raman techniques. The conformational analysis, nuclear magnetic shielding tensors, normal mode frequencies and corresponding vibrational assignments of NPP were examined using the density functional theory (DFT, with the Becke-3-Lee-Yang-Parr (B3LYP functional and the 6-31G(d and 6-311++G(d,p basis sets. Reliable vibrational assignments were investigated by the total energy distributions (TED obtained with scaled quantum mechanical (SQM method. The hydrogen of NH group in piperazine and the phenyl fragment of NPP equatorially oriented relative to piperazine. There is a good agreement between the experimentally determined nuclear magnetic shielding tensors and vibrational frequencies of NPP and those predicted theoretically.

  2. Where is the research frontier for hand-arm vibration?

    Science.gov (United States)

    Gemne, G

    1994-01-01

    A central question for current hand-arm vibration research is how to combine diagnostics with exposure evaluation so that reliable risk assessments can be made for different tools and work processes. The scientific foundation of the model, in annex of A of ISO 5349, for white finger (WF) risk prediction has been shown to be insufficient. Prospective epidemiologic studies are needed to establish exposure-response relationships addressing the specific etiologic factors. Another important research field concerns WF pathogenesis, which is likely to be a vessel wall lesion causing vasodilatory deficiency. Epidemiologic research, in combination with human and animal experimentation, on endothelium-dependent mechanisms is desirable, among other things, because a therapy may be within reach. A model is presented for the manifestation of cold-triggered WF in persons with exposure to vibration and other environmental stressors as a result of lowered symptom threshold and a raised level of sympathetic activity.

  3. Structure determination of butylone as a new psychoactive substance using chiroptical and vibrational spectroscopies.

    Science.gov (United States)

    Spálovská, Dita; Králík, František; Kohout, Michal; Jurásek, Bronislav; Habartová, Lucie; Kuchař, Martin; Setnička, Vladimír

    2018-05-01

    Recently, there has been a worldwide substantial increase in the consumption of new psychoactive substances (NPS), compounds that mimic the structure of illicit drugs, such as amphetamines or ecstasy. The producers try to avoid the law by a slight modification of illicit structures, thereby developing dozens of temporarily legal NPS every year. The current trends in the detection and monitoring of such substances demand a fast and reliable analysis. Molecular spectroscopy represents a highly effective tool for the identification of NPS and chiroptical methods can provide further information on their 3D structure, which is the key for the determination of their biological activity. We present the first systematic study of NPS, specifically butylone, combining chiroptical and vibrational spectroscopies with ab initio calculations. According to density functional theory calculations, 6 stable lowest energy conformers of butylone were found and their molecular structure was described. For each conformer, the relative abundance based on the Boltzmann distribution was estimated, their population weighted spectra predicted and compared to the experimental results. Very good agreement between the experimental and the simulated spectra was achieved, which allowed not only the assignment of the absolute configuration, but also a precise description of the molecular structure. © 2018 Wiley Periodicals, Inc.

  4. Grouping puts figure-ground assignment in context by constraining propagation of edge assignment.

    Science.gov (United States)

    Brooks, Joseph L; Brook, Joseph L; Driver, Jon

    2010-05-01

    Figure-ground organization involves the assignment of edges to a figural shape on one or the other side of each dividing edge. Established visual cues for edge assignment primarily concern relatively local rather than contextual factors. In the present article, we show that an assignment for a locally unbiased edge can be affected by an assignment of a remote contextual edge that has its own locally biased assignment. We find that such propagation of edge assignment from the biased remote context occurs only when the biased and unbiased edges are grouped. This new principle, whereby grouping constrains the propagation of figural edge assignment, emerges from both subjective reports and an objective short-term edge-matching task. It generalizes from moving displays involving grouping by common fate and collinearity, to static displays with grouping by similarity of edge-contrast polarity, or apparent occlusion. Our results identify a new contextual influence on edge assignment. They also identify a new mechanistic relation between grouping and figure-ground processes, whereby grouping between remote elements can constrain the propagation of edge assignment between those elements. Supplemental materials for this article may be downloaded from http://app.psychonomic-journals.org/content/supplemental.

  5. Vibrational spectroscopic and non-linear optical activity studies on nicotinanilide : A DFT approach

    Science.gov (United States)

    Premkumar, S.; Jawahar, A.; Mathavan, T.; Dhas, M. Kumara; Benial, A. Milton Franklin

    2015-06-01

    The molecular structure of nicotinanilide was optimized by the DFT/B3LYP method with cc-pVTZ basis set using Gaussian 09 program. The first order hyperpolarizability of the molecule was calculated, which exhibits the higher nonlinear optical activity. The natural bond orbital analysis confirms the presence of intramolecular charge transfer and the hydrogen bonding interaction, which leads to the higher nonlinear optical activity of the molecule. The Frontier molecular orbitals analysis of the molecule shows that the delocalization of electron density occurs within the molecule. The lower energy gap indicates that the hydrogen bond formation between the charged species. The vibrational frequencies were calculated and assigned on the basis of potential energy distribution calculation using the VEDA 4.0 program and the corresponding vibrational spectra were simulated. Hence, the nicotinanilide molecule can be a good candidate for second-order NLO material.

  6. Secure Cooperative Spectrum Sensing for the Cognitive Radio Network Using Nonuniform Reliability

    Directory of Open Access Journals (Sweden)

    Muhammad Usman

    2014-01-01

    Full Text Available Both reliable detection of the primary signal in a noisy and fading environment and nullifying the effect of unauthorized users are important tasks in cognitive radio networks. To address these issues, we consider a cooperative spectrum sensing approach where each user is assigned nonuniform reliability based on the sensing performance. Users with poor channel or faulty sensor are assigned low reliability. The nonuniform reliabilities serve as identification tags and are used to isolate users with malicious behavior. We consider a link layer attack similar to the Byzantine attack, which falsifies the spectrum sensing data. Three different strategies are presented in this paper to ignore unreliable and malicious users in the network. Considering only reliable users for global decision improves sensing time and decreases collisions in the control channel. The fusion center uses the degree of reliability as a weighting factor to determine the global decision in scheme I. Schemes II and III consider the unreliability of users, which makes the computations even simpler. The proposed schemes reduce the number of sensing reports and increase the inference accuracy. The advantages of our proposed schemes over conventional cooperative spectrum sensing and the Chair-Varshney optimum rule are demonstrated through simulations.

  7. Vibrational spectrum of the K-590 intermediate in the bacteriorhodopsin photocycle at room temperature: picosecond time-resolved resonance coherent anti-Raman spectroscopy

    Science.gov (United States)

    Ujj, L.; Jäger, F.; Popp, A.; Atkinson, G. H.

    1996-12-01

    The vibrational spectrum of the K-590 intermediate, thought to contribute significantly to the energy storage and transduction mechanism in the bacteriorhodopsin (BR) photocycle, is measured at room temperature using picosecond time-resolved resonance coherent anti-Stokes Raman scattering (PTR/CARS). The room-temperature BR photocycle is initiated by the 3 ps, 570 nm excitation of the ground-state species, BR-570, prepared in both H 2O and D 2O suspensions of BR. PTR/CARS data, recorded 50 ps after BR-570 excitation, at which time only BR-570 and K-590 are present, have an excellent S/N which provides a significantly more detailed view of the K-590 vibrational degrees of freedom than previously available. Two picosecond (6 ps FWHM) laser pulses, ω1 (633.4 nm) and ωS (675-700 nm), are used to record PTR/CARS data via electronic resonance enhancement in both BR-570 and K-590, each of which contains a distinct retinal structure (assigned as 13- rans, 15- anti, 13- cis, respectively). To obtain the vibrational spectrum of K-590 separately, the PTR/CARS spectra from the mixture of isomeric retinals is quantitatively analyzed in terms of third-order susceptibility ( η(3)) relationships. PTR/CARS spectra of K-590 recorded from both H 2O and D 2O suspensions of BR are compared with the analogous vibrational data obtained via spontaneous resonance Raman (RR) scattering at both low (77 K) and room temperature. Analyses of these vibrational spectra identify temperature-dependent effects and changes assignable to the substitution of deuterium at the Schiff-base nitrogen not previously reported.

  8. Application of the random vibration approach in the seismic analysis of LMFBR structures - Benchmark calculations

    International Nuclear Information System (INIS)

    Preumont, A.; Shilab, S.; Cornaggia, L.; Reale, M.; Labbe, P.; Noe, H.

    1992-01-01

    This benchmark exercise is the continuation of the state-of-the-art review (EUR 11369 EN) which concluded that the random vibration approach could be an effective tool in seismic analysis of nuclear power plants, with potential advantages on time history and response spectrum techniques. As compared to the latter, the random vibration method provides an accurate treatment of multisupport excitations, non classical damping as well as the combination of high-frequency modal components. With respect to the former, the random vibration method offers direct information on statistical variability (probability distribution) and cheaper computations. The disadvantages of the random vibration method are that it is based on stationary results, and requires a power spectral density input instead of a response spectrum. A benchmark exercise to compare the three methods from the various aspects mentioned above, on one or several simple structures has been made. The following aspects have been covered with the simplest possible models: (i) statistical variability, (ii) multisupport excitation, (iii) non-classical damping. The random vibration method is therefore concluded to be a reliable method of analysis. Its use is recommended, particularly for preliminary design, owing to its computational advantage on multiple time history analysis

  9. Vibrational spectroscopy of the phosphate mineral lazulite--(Mg, Fe)Al2(PO4)2·(OH)2 found in the Minas Gerais, Brazil.

    Science.gov (United States)

    Frost, Ray L; Xi, Yunfei; Beganovic, Martina; Belotti, Fernanda Maria; Scholz, Ricardo

    2013-04-15

    This research was done on lazulite samples from the Gentil mine, a lithium bearing pegmatite located in the municipality of Mendes Pimentel, Minas Gerais, Brazil. Chemical analysis was carried out by electron microprobe analysis and indicated a magnesium rich phase with partial substitution of iron. Traces of Ca and Mn, (which partially replaced Mg) were found. The calculated chemical formula of the studied sample is: (Mg0.88, Fe0.11)Al1.87(PO4)2.08(OH)2.02. The Raman spectrum of lazulite is dominated by an intense sharp band at 1060 cm(-1) assigned to PO stretching vibrations of of tetrahedral [PO4] clusters presents into the HPO4(2-) units. Two Raman bands at 1102 and 1137 cm(-1) are attributed to both the HOP and PO antisymmetric stretching vibrations. The two infrared bands at 997 and 1007 cm(-1) are attributed to the ν1PO4(3-) symmetric stretching modes. The intense bands at 1035, 1054, 1081, 1118 and 1154 cm(-1) are assigned to the ν3PO4(3-) antisymmetric stretching modes from both the HOP and tetrahedral [PO4] clusters. A set of Raman bands at 605, 613, 633 and 648 cm(-1) are assigned to the ν4 out of plane bending modes of the PO4, HPO4 and H2PO4 units. Raman bands observed at 414, 425, 460, and 479 cm(-1) are attributed to the ν2 tetrahedral PO4 clusters, HPO4 and H2PO4 bending modes. The intense Raman band at 3402 and the infrared band at 3403 cm(-1) are assigned to the stretching vibration of the OH units. A combination of Raman and infrared spectroscopy enabled aspects of the molecular structure of the mineral lazulite to be understood. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. FLEET ASSIGNMENT MODELLING

    Directory of Open Access Journals (Sweden)

    2016-01-01

    Full Text Available The article is devoted to the airline scheduling process and methods of its modeling. This article describes the main stages of airline scheduling process (scheduling, fleet assignment, revenue management, operations, their features and interactions. The main part of scheduling process is fleet assignment. The optimal solution of the fleet assignment problem enables airlines to increase their incomes up to 3 % due to quality improving of connections and execution of the planned number of flights operated by less number of aircraft than usual or planned earlier. Fleet assignment of scheduling process is examined and Conventional Leg-Based Fleet Assignment Model is analyzed. Finally strong and weak aspects of the model (SWOT are released and applied. The article gives a critical analysis of FAM model, with the purpose of identi- fying possible options and constraints of its use (for example, in cases of short-term and long-term planning, changing the schedule or replacing the aircraft, as well as possible ways to improve the model.

  11. [Rapid assessment of critical quality attributes of Chinese materia medica (II): strategy of NIR assignment].

    Science.gov (United States)

    Pei, Yan-Ling; Wu, Zhi-Sheng; Shi, Xin-Yuan; Zhou, Lu-Wei; Qiao, Yan-Jiang

    2014-09-01

    The present paper firstly reviewed the research progress and main methods of NIR spectral assignment coupled with our research results. Principal component analysis was focused on characteristic signal extraction to reflect spectral differences. Partial least squares method was concerned with variable selection to discover characteristic absorption band. Two-dimensional correlation spectroscopy was mainly adopted for spectral assignment. Autocorrelation peaks were obtained from spectral changes, which were disturbed by external factors, such as concentration, temperature and pressure. Density functional theory was used to calculate energy from substance structure to establish the relationship between molecular energy and spectra change. Based on the above reviewed method, taking a NIR spectral assignment of chlorogenic acid as example, a reliable spectral assignment for critical quality attributes of Chinese materia medica (CMM) was established using deuterium technology and spectral variable selection. The result demonstrated the assignment consistency according to spectral features of different concentrations of chlorogenic acid and variable selection region of online NIR model in extract process. Although spectral assignment was initial using an active pharmaceutical ingredient, it is meaningful to look forward to the futurity of the complex components in CMM. Therefore, it provided methodology for NIR spectral assignment of critical quality attributes in CMM.

  12. Active vibration reduction of rigid rotor by kinematic excitation of bushes of journal bearings

    Directory of Open Access Journals (Sweden)

    J. Ondrouch

    2010-04-01

    Full Text Available Possibilities of active lateral vibration reduction of a symmetric, rigid rotor supported by journal bearings are given. They were obtained by computational modelling. Efficiency of the feedback P and PD controllers in the stable revolution interval was examined. The linearized rotor system model was used. The results of the theoretical analysis are assigned for a testing stand where the bearing bush motions are deactivated by piezoelectric actuators connected to the controllers.

  13. A simple vibrating sample magnetometer for macroscopic samples

    Science.gov (United States)

    Lopez-Dominguez, V.; Quesada, A.; Guzmán-Mínguez, J. C.; Moreno, L.; Lere, M.; Spottorno, J.; Giacomone, F.; Fernández, J. F.; Hernando, A.; García, M. A.

    2018-03-01

    We here present a simple model of a vibrating sample magnetometer (VSM). The system allows recording magnetization curves at room temperature with a resolution of the order of 0.01 emu and is appropriated for macroscopic samples. The setup can be mounted with different configurations depending on the requirements of the sample to be measured (mass, saturation magnetization, saturation field, etc.). We also include here examples of curves obtained with our setup and comparison curves measured with a standard commercial VSM that confirms the reliability of our device.

  14. A-VCI: A flexible method to efficiently compute vibrational spectra

    Science.gov (United States)

    Odunlami, Marc; Le Bris, Vincent; Bégué, Didier; Baraille, Isabelle; Coulaud, Olivier

    2017-06-01

    The adaptive vibrational configuration interaction algorithm has been introduced as a new method to efficiently reduce the dimension of the set of basis functions used in a vibrational configuration interaction process. It is based on the construction of nested bases for the discretization of the Hamiltonian operator according to a theoretical criterion that ensures the convergence of the method. In the present work, the Hamiltonian is written as a sum of products of operators. The purpose of this paper is to study the properties and outline the performance details of the main steps of the algorithm. New parameters have been incorporated to increase flexibility, and their influence has been thoroughly investigated. The robustness and reliability of the method are demonstrated for the computation of the vibrational spectrum up to 3000 cm-1 of a widely studied 6-atom molecule (acetonitrile). Our results are compared to the most accurate up to date computation; we also give a new reference calculation for future work on this system. The algorithm has also been applied to a more challenging 7-atom molecule (ethylene oxide). The computed spectrum up to 3200 cm-1 is the most accurate computation that exists today on such systems.

  15. Vibrational analysis of HOCl up to 98% of the dissociation energy with a Fermi resonance Hamiltonian

    International Nuclear Information System (INIS)

    Jost, R.; Joyeux, M.; Skokov, S.; Bowman, J.

    1999-01-01

    We have analyzed the vibrational energies and wave functions of HOCl obtained from previous ab initio calculations [J. Chem. Phys. 109, 2662 (1998); 109, 10273 (1998)]. Up to approximately 13 and h;000 cm -1 , the normal modes are nearly decoupled, so that the analysis is straightforward with a Dunham model. In contrast, above 13 and h;000 cm -1 the Dunham model is no longer valid for the levels with no quanta in the OH stretch (v 1 =0). In addition to v 1 , these levels can only be assigned a so-called polyad quantum number P=2v 2 +v 3 , where 2 and 3 denote, respectively, the bending and OCl stretching normal modes. In contrast, the levels with v 1 ≥2 remain assignable with three v i quantum numbers up to the dissociation (D 0 =19 and h;290 and h;cm -1 ). The interaction between the bending and the OCl stretch (ω 2 congruent 2ω 3 ) is well described with a simple, fitted Fermi resonance Hamiltonian. The energies and wave functions of this model Hamiltonian are compared with those obtained from ab initio calculations, which in turn enables the assignment of many additional ab initio vibrational levels. Globally, among the 809 bound levels calculated below dissociation, 790 have been assigned, the lowest unassigned level, No. 736, being located at 18 and h;885 cm -1 above the (0,0,0) ground level, that is, at about 98% of D 0 . In addition, 84 resonances located above D 0 have also been assigned. Our best Fermi resonance Hamiltonian has 29 parameters fitted with 725 ab initio levels, the rms deviation being of 5.3 cm -1 . This set of 725 fitted levels includes the full set of levels up to No. 702 at 18 and h;650 cm -1 . The ab initio levels, which are assigned but not included in the fit, are reasonably predicted by the model Hamiltonian, but with a typical error of the order of 20 cm -1 . The classical analysis of the periodic orbits of this Hamiltonian shows that two bifurcations occur at 13 and h;135 and 14 and h;059 cm -1 for levels with v 1 =0. Above each

  16. Synthetical analysis of the spin assignment for the superdeformed bands in A≅190 region

    International Nuclear Information System (INIS)

    Di Yaomin

    2002-01-01

    The spin assignment for the superdeformed bands of even-even nuclei in A ≅190 region is given by means of using the method of synthetical analysis. The I( I + 1) expression is used to fit the experimental data of the transition γ energies. In contrast to other procedure, the convergence process of the series expansions is put stress upon, whereas taking how many terms exactly in the expression does not emphasized. Moreover as well as the method of fitting the physical quantity, by use of these series expansions the moment of inertia of band heads is also calculated and then the systematics is used for the spin assignments. In practice, when the experimental data is abundant the systematics of the moment of inertia of band heads is more efficient than the method of fitting the physical quantity in the spin assignment. As for a few bands which spin assignment is difficult, the deviation from the typical rotational bands must be considered, which may be judged easily from the second class of moment of inertia of the bands. Finally the results of the spin assignment and the comparison with other literature are presented. These results should be more reliable

  17. Vibration-response due to thickness loss on steel plate excited by resonance frequency

    Science.gov (United States)

    Kudus, S. A.; Suzuki, Y.; Matsumura, M.; Sugiura, K.

    2018-04-01

    The degradation of steel structure due to corrosion is a common problem found especially in the marine structure due to exposure to the harsh marine environment. In order to ensure safety and reliability of marine structure, the damage assessment is an indispensable prerequisite for plan of remedial action on damaged structure. The main goal of this paper is to discuss simple vibration measurement on plated structure to give image on overview condition of the monitored structure. The changes of vibration response when damage was introduced in the plate structure were investigated. The damage on plate was simulated in finite element method as loss of thickness section. The size of damage and depth of loss of thickness were varied for different damage cases. The plate was excited with lower order of resonance frequency in accordance estimate the average remaining thickness based on displacement response obtain in the dynamic analysis. Significant reduction of natural frequency and increasing amplitude of vibration can be observed in the presence of severe damage. The vibration analysis summarized in this study can serve as benchmark and reference for researcher and design engineer.

  18. Vibrational dynamics of thiocyanate and selenocyanate bound to horse heart myoglobin

    Energy Technology Data Exchange (ETDEWEB)

    Maj, Michał; Oh, Younjun; Park, Kwanghee; Lee, Jooyong; Cho, Minhaeng, E-mail: mcho@korea.ac.kr [Department of Chemistry, Korea University, Seoul 136-713 (Korea, Republic of); Kwak, Kyung-Won [Department of Chemistry, Chung-Ang University, Seoul 156-756, SouthKorea (Korea, Republic of)

    2014-06-21

    The structure and vibrational dynamics of SCN- and SeCN-bound myoglobin have been investigated using polarization-controlled IR pump-probe measurements and quantum chemistry calculations. The complexes are found to be in low and high spin states, with the dominant contribution from the latter. In addition, the Mb:SCN high spin complex exhibits a doublet feature in the thiocyanate stretch IR absorption spectra, indicating two distinct molecular conformations around the heme pocket. The binding mode of the high spin complexes was assigned to occur through the nitrogen atom, contrary to the binding through the sulfur atom that was observed in myoglobin derived from Aplysia Limacina. The vibrational energy relaxation process has been found to occur substantially faster than those of free SCN{sup −} and SeCN{sup −} ions and neutral SCN- and SeCN-derivatized molecules reported previously. This supports the N-bound configurations of MbNCS and MbNCSe, because S- and Se-bound configurations are expected to have significantly long lifetimes due to the insulation effect by heavy bridge atom like S and Se in such IR probes. Nonetheless, even though their lifetimes are much shorter than those of corresponding free ions in water, the vibrational lifetimes determined for MbNCS and MbNCSe are still fairly long compared to those of azide and cyanide myoglobin systems studied before. Thus, thiocyanate and selenocyanate can be good local probes of local electrostatic environment in the heme pocket. The globin dependence on binding mode and vibrational dynamics is also discussed.

  19. Reliability of microcircuits in nuclear power plants

    International Nuclear Information System (INIS)

    Cross, P.M.; Taplin, R.C.

    1986-06-01

    The reliability problems associated with modernizing control systems in nuclear power plants, particularly by using new technology microcircuits, are discussed and twelve problem areas identified. These are: new technology introduction; variability in manufacture; derating necessities; distributed systems; use of redundancy; electrostatic discharge damage; electromagnetic interference; nuclear radiation; thermal effects; contamination, including humidity; mechanical effects, including vibration; and testing. Recommendations for the AECB are given in each area. Guidelines are given for the design, procurement, installation, operation and maintenance stages of use. Recommendations for further work are given

  20. Assessment of electron propagator methods for the simulation of vibrationally-resolved valence and core photoionization spectra

    Science.gov (United States)

    Baiardi, A.; Paoloni, L.; Barone, V.; Zakrzewski, V.G.; Ortiz, J.V.

    2017-01-01

    The analysis of photoelectron spectra is usually facilitated by quantum mechanical simulations. Due to the recent improvement of experimental techniques, the resolution of experimental spectra is rapidly increasing, and the inclusion of vibrational effects is usually mandatory to obtain a reliable reproduction of the spectra. With the aim of defining a robust computational protocol, a general time-independent formulation to compute different kinds of vibrationally-resolved electronic spectra has been generalized to support also photoelectron spectroscopy. The electronic structure data underlying the simulation are computed using different electron propagator approaches. In addition to the more standard approaches, a new and robust implementation of the second-order self-energy approximation of the electron propagator based on a transition operator reference (TOEP2) is presented. To validate our implementation, a series of molecules has been used as test cases. The result of the simulations shows that, for ultraviolet photoionization spectra, the more accurate non-diagonal approaches are needed to obtain a reliable reproduction of vertical ionization energies, but diagonal approaches are sufficient for energy gradients and pole strengths. For X-ray photoelectron spectroscopy, the TOEP2 approach, besides being more efficient, is also the most accurate in the reproduction of both vertical ionization energies and vibrationally-resolved bandshapes. PMID:28521087

  1. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: A density functional theory

    Science.gov (United States)

    Govindasamy, P.; Gunasekaran, S.; Ramkumaar, G. R.

    2014-09-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator’s strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated.

  2. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

    We make music by causing strings, membranes, or air columns to vibrate. Engineers design safe structures by control- ling vibrations. I will describe to you a very simple vibrating system and the mathematics needed to analyse it. The ideas were born in the work of Joseph-Louis Lagrange (1736–1813), and I begin by quot-.

  3. Reliability assessment of nuclear structural systems

    International Nuclear Information System (INIS)

    Reich, M.; Hwang, H.

    1983-01-01

    Reliability assessment of nuclear structural systems has been receiving more emphasis over the last few years. This paper deals with the recent progress made by the Structural Analysis Division of Brookhaven National Laboratory (BNL), in the development of a probability-based reliability analysis methodology for safety evaluation of reactor containments and other seismic category I structures. An important feature of this methodology is the incorporation of finite element analysis and random vibration theory. By utilizing this method, it is possible to evaluate the safety of nuclear structures under various static and dynamic loads in terms of limit state probability. Progress in other related areas, such as the establishment of probabilistic characteristics for various loads and structural resistance, are also described. Results of an application of the methodology to a realistic reinforced concrete containment subjected to dead and live loads, accidental internal pressures and earthquake ground accelerations are presented

  4. Handbook Of Noise And Vibration

    International Nuclear Information System (INIS)

    1995-12-01

    This book is about noise and vibration. The first chapter has explanations of noise such as basic of sound, influence of noise, assessment of noise, measurement of prevention of noise and technology, case of noise measurement and soundproof. The second chapter describes vibration with outline, theory of vibration, interpretation of vibration, measurement for reduction of vibration, case of design of protection against vibration. It deals with related regulation and method of measurement.

  5. Vibration Monitoring Using Fiber Optic Sensors in a Lead-Bismuth Eutectic Cooled Nuclear Fuel Assembly

    Directory of Open Access Journals (Sweden)

    Ben De Pauw

    2016-04-01

    Full Text Available Excessive fuel assembly vibrations in nuclear reactor cores should be avoided in order not to compromise the lifetime of the assembly and in order to prevent the occurrence of safety hazards. This issue is particularly relevant to new reactor designs that use liquid metal coolants, such as, for example, a molten lead-bismuth eutectic. The flow of molten heavy metal around and through the fuel assembly may cause the latter to vibrate and hence suffer degradation as a result of, for example, fretting wear or mechanical fatigue. In this paper, we demonstrate the use of optical fiber sensors to measure the fuel assembly vibration in a lead-bismuth eutectic cooled installation which can be used as input to assess vibration-related safety hazards. We show that the vibration characteristics of the fuel pins in the fuel assembly can be experimentally determined with minimal intrusiveness and with high precision owing to the small dimensions and properties of the sensors. In particular, we were able to record local strain level differences of about 0.2 μϵ allowing us to reliably estimate the vibration amplitudes and modal parameters of the fuel assembly based on optical fiber sensor readings during different stages of the operation of the facility, including the onset of the coolant circulation and steady-state operation.

  6. Vibration mode and vibration shape under excitation of a three phase model transformer core

    Science.gov (United States)

    Okabe, Seiji; Ishigaki, Yusuke; Omura, Takeshi

    2018-04-01

    Structural vibration characteristics and vibration shapes under three-phase excitation of a archetype transformer core were investigated to consider their influences on transformer noise. Acoustic noise and vibration behavior were measured in a three-limb model transformer core. Experimental modal analysis by impact test was performed. The vibration shapes were measured by a laser scanning vibrometer at different exciting frequencies. Vibration amplitude of the core in out-of-plane direction were relatively larger than those in other two in-plane directions. It was consistent with the result that the frequency response function of the core in out-of-plane direction was larger by about 20 dB or more than those in in-plane directions. There were many vibration modes having bending deformation of limbs in out-of-plane direction. The vibration shapes of the core when excited at 50 Hz and 60 Hz were almost the same because the fundamental frequencies of the vibration were not close to the resonance frequencies. When excitation frequency was 69 Hz which was half of one of the resonance frequencies, the vibration shape changed to the one similar to the resonance vibration mode. Existence of many vibration modes in out-of-plane direction of the core was presumed to be a reason why frequency characteristics of magnetostriction and transformer noise do not coincide.

  7. Structural and vibrational study of 8-hydroxyquinoline-2-carboxaldehyde isonicotinoyl hydrazone - A potential metal-protein attenuating compound (MPAC) for the treatment of Alzheimer's disease

    Science.gov (United States)

    de Freitas, Leonardo Viana; da Silva, Cecilia C. P.; Ellena, Javier; Costa, Luiz Antônio Sodré; Rey, Nicolás A.

    2013-12-01

    A comprehensive structural and vibrational study of the potential metal-protein attenuating compound 8-hydroxyquinoline-2-carboxaldehyde isonicotinoyl hydrazone is reported. X-ray diffraction data, as well as FT-IR and Raman frequencies, were compared with the respective theoretical values obtained from DFT calculations. Theory agrees well with experiment. In this context, an attempt of total assignment concerning the FT-IR and Raman spectra of the title compound was performed, shedding new light on previous partial assignments published elsewhere.

  8. Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline.

    Science.gov (United States)

    Arjunan, V; Mohan, S

    2009-03-01

    The Fourier transform infrared (FTIR) and FT-Raman spectra of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline have been measured in the range 4000-400 and 4000-100cm(-1), respectively. Utilising the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compounds were carried out. The vibrational frequency which were determined experimentally are compared with those obtained theoretically from ab initio HF and DFT gradient calculations employing the HF/6-31G(d,p) and B3LYP/6-31G(d,p) methods for optimised geometries. The geometries and normal modes of vibration obtained from the HF and DFT methods are in good agreement with the experimental data. The normal co-ordinate analysis was also carried out on the basis of ab initio force fields utilising Wilson's FG matrix method. The manifestations of NH-pi interactions and the influence of bulky chlorine and methyl group on the vibrational modes of the amino group are investigated.

  9. Ship Vibrations

    DEFF Research Database (Denmark)

    Sørensen, Herman

    1997-01-01

    Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board......Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board...

  10. Vibrational Spectroscopy of Intramolecular Hydrogen Bonds in the Infrared and Near-Infrared Regions

    DEFF Research Database (Denmark)

    Schrøder, Sidsel Dahl

    and 1,4-diaminobutane). Experimentally, the hydrogen bonds have been studied with vibrational spectroscopy in the infrared and near-infrared regions. The focus is primarily on spectra recorded in the near-infrared regions, which in these studies are dominated by O-H and N-H stretching overtones....... Overtone spectra have been recorded with intracavity laser photoacoustic laser spectroscopy and conventional long path absorption spectroscopy. Theoretically, a combination of electronic structure calculations and local mode models have been employed to guide the assignment of bands in the vibrational......,4-diaminobutane, no sign of intramolecular N-H···N hydrogen bonds were identified in the overtone spectra. However, theoretical analyzes indicate that intramolecular N-H···N hydrogen bonds are present in all three diamines if two hydrogen atoms on one of the methylene groups are substituted with triuoromethyl...

  11. Evaluation of vibration and vibration fatigue life for small bore pipe in nuclear power plants

    International Nuclear Information System (INIS)

    Wang Zhaoxi; Xue Fei; Gong Mingxiang; Ti Wenxin; Lin Lei; Liu Peng

    2011-01-01

    The assessment method of the steady state vibration and vibration fatigue life of the small bore pipe in the supporting system of the nuclear power plants is proposed according to the ASME-OM3 and EDF evaluation methods. The GGR supporting pipe system vibration is evaluated with this method. The evaluation process includes the filtration of inborn sensitivity, visual inspection, vibration tests, allowable vibration effective velocity calculation and vibration stress calculation. With the allowable vibration effective velocity calculated and the vibration velocity calculated according to the acceleration data tested, the filtrations are performed. The vibration stress at the welding coat is calculated with the spectrum method and compared with the allowable value. The response of the stress is calculated with the transient dynamic method, with which the fatigue life is evaluated with the Miners linear accumulation model. The vibration stress calculated with the spectrum method exceeds the allowable value, while the fatigue life calculated from the transient dynamic method is larger than the designed life with a big safety margin. (authors)

  12. Quantitative spectral and orientational analysis in surface sum frequency generation vibrational spectroscopy (SFG-VS)

    Science.gov (United States)

    Wang, Hong-Fei; Gan, Wei; Lu, Rong; Rao, Yi; Wu, Bao-Hua

    guidelines are developed for assignment of the SFG-VS spectrum. Using the selection rules, SFG-VS spectra of vapour/diol, and vapour/n-normal alcohol (n˜ 1-8) interfaces are assigned, and some of the ambiguity and confusion, as well as their implications in previous IR and Raman assignment, are duly discussed. The ability to assign a SFG-VS spectrum using the polarization selection rules makes SFG-VS not only an effective and useful vibrational spectroscopy technique for interface studies, but also a complementary vibrational spectroscopy method in general condensed phase studies. These developments will put quantitative orientational and spectral analysis in SFG-VS on a more solid foundation. The formulations, concepts and issues discussed in this review are expected to find broad applications for investigations on molecular interfaces in the future.

  13. The Assignment of American Society of Anesthesiologists Physical Status Classification for Adult Polytrauma Patients: Results From a Survey and Future Considerations.

    Science.gov (United States)

    Kuza, Catherine M; Hatzakis, George; Nahmias, Jeffry T

    2017-12-01

    The American Society of Anesthesiologists (ASA) physical status (PS) classification system assesses the preoperative health of patients. Previous studies demonstrated poor interrater reliability and variable ASA PS scores, especially in trauma scenarios. There are few studies that evaluated the assignment of ASA PS scores in trauma patients and no studies that evaluated ASA PS assignment in severely injured adult polytrauma patients. Our objective was to assess interrater reliability and identify sources of discrepancy among anesthesiologists and trauma surgeons in designating ASA PS scores to adult polytrauma patients. A link to an online survey containing questions assessing attitudes regarding ASA PS classification, demographic information, and 8 fictional trauma cases was e-mailed to anesthesiologists and trauma surgeons. The participants were asked to assign an ASA PS score to each scenario and explain their choice. Rater-versus-reference and interrater reliability, beyond that expected by chance, among respondents was analyzed using the Fleiss kappa analysis. A total of 349 participants completed the survey. All 8 cases had inconsistent ASA PS scores; several cases had scores ranging from I to VI and variable emergency (E) designations. Using weighted kappa (Kw) analysis for a subset of 201 respondents (101 trauma surgeons [S] and 100 anesthesiologists [A]), we found moderate (Kw = 0.63; SE = 0.024; 95% confidence interval, 0.594-0.666; P polytrauma patients. Although the ASA PS is used in some trauma risk stratification models, discrepancies of ASA PS scores assigned to trauma cases exist. Future modifications of the ASA PS guidelines should aim to improve the interrater reliability of ASA PS scores in trauma patients. Further studies are warranted to determine the value of the ASA PS score as a trauma prognostic metric.

  14. Off-axis Modal Active Vibration Control Of Rotational Vibrations

    NARCIS (Netherlands)

    Babakhani, B.; de Vries, Theodorus J.A.; van Amerongen, J.

    Collocated active vibration control is an effective and robustly stable way of adding damping to the performance limiting vibrations of a plant. Besides the physical parameters of the Active Damping Unit (ADU) containing the collocated actuator and sensor, its location with respect to the

  15. Molecular structure and vibrational spectroscopy of isoproturon

    Science.gov (United States)

    Vrielynck, L.; Dupuy, N.; Kister, J.; Nowogrocki, G.

    2006-05-01

    The crystal structure of isoproturon [ N-(4-isopropylphenyl)- N', N'-dimethylurea] has been determined: the compound crystallizes in the space group Pbca with unit cell parameters a=10.186(2) Å, b=11.030(2) Å, c=20.981(4) Å. The structure was solved and refined down to R1=0.0508 and ωR2=0.12470 for 3056 reflections. The crystalline molecular network of this pesticide is stabilized, as for many molecules of the same family, by π-π interactions but especially by a medium-strong N-H⋯C dbnd6 O intermolecular hydrogen bond (2.14 Å). The X-ray parameters were then compared with the results of DFT quantum chemical calculation computed with the GAUSSIAN 94 package. A tentative assignment of the ATR-FT-IR and Raman spectra was proposed supported by vibrational mode calculation and spectroscopic data on benzenic and urea derivatives available in the literature. The presence of a tight band around 3300 cm -1, which can be assigned to the NH bond stretching mode as well as the low frequency position of the amide I band at 1640 cm -1, sensitive to solvent polarity, confirms the existence of a quite strong intermolecular hydrogen bond between neighboring molecules in the crystal of isoproturon.

  16. Vibration in car repair work.

    Science.gov (United States)

    Hansson, J E; Eklund, L; Kihlberg, S; Ostergren, C E

    1987-03-01

    The main objective of the study was to find efficient hand tools which caused only minor vibration loading. Vibration measurements were carried out under standardised working conditions. The time during which car body repairers in seven companies were exposed to vibration was determined. Chisel hammers, impact wrenches, sanders and saws were the types of tools which generated the highest vibration accelerations. The average daily exposure at the different garages ranged from 22 to 70 min. The risk of vibration injury is currently rated as high. The difference between the highest and lowest levels of vibration was considerable in most tool categories. Therefore the choice of tool has a major impact on the magnitude of vibration exposure. The importance of choosing the right tools and working methods is discussed and a counselling service on vibration is proposed.

  17. Vibration insensitive interferometry

    Science.gov (United States)

    Millerd, James; Brock, Neal; Hayes, John; Kimbrough, Brad; North-Morris, Michael; Wyant, James C.

    2017-11-01

    The largest limitation of phase-shifting interferometry for optical testing is the sensitivity to the environment, both vibration and air turbulence. An interferometer using temporal phase-shifting is very sensitive to vibration because the various phase shifted frames of interferometric data are taken at different times and vibration causes the phase shifts between the data frames to be different from what is desired. Vibration effects can be reduced by taking all the phase shifted frames simultaneously and turbulence effects can be reduced by averaging many measurements. There are several techniques for simultaneously obtaining several phase-shifted interferograms and this paper will discuss two such techniques: 1) Simultaneous phase-shifting interferometry on a single detector array (PhaseCam) and 2) Micropolarizer phase-shifting array. The application of these techniques for the testing of large optical components, measurement of vibrational modes, the phasing of segmented optical components, and the measurement of deformations of large diffuse structures is described.

  18. Robust high-precision attitude control for flexible spacecraft with improved mixed H2/H∞ control strategy under poles assignment constraint

    Science.gov (United States)

    Liu, Chuang; Ye, Dong; Shi, Keke; Sun, Zhaowei

    2017-07-01

    A novel improved mixed H2/H∞ control technique combined with poles assignment theory is presented to achieve attitude stabilization and vibration suppression simultaneously for flexible spacecraft in this paper. The flexible spacecraft dynamics system is described and transformed into corresponding state space form. Based on linear matrix inequalities (LMIs) scheme and poles assignment theory, the improved mixed H2/H∞ controller does not restrict the equivalence of the two Lyapunov variables involved in H2 and H∞ performance, which can reduce conservatives compared with traditional mixed H2/H∞ controller. Moreover, it can eliminate the coupling of Lyapunov matrix variables and system matrices by introducing slack variable that provides additional degree of freedom. Several simulations are performed to demonstrate the effectiveness and feasibility of the proposed method in this paper.

  19. Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, and trimethylgermyl derivatives of 3,3-dimethylcyclopropene . VI: Application of observed trends to stannyl derivatives

    Science.gov (United States)

    Panchenko, Yu. N.; De Maré, G. R.; Abramenkov, A. V.; Baird, M. S.; Tverezovsky, V. V.; Nizovtsev, A. V.; Bolesov, I. G.

    2004-09-01

    The effects of substitution of X=C by Si or Ge in X(CH 3) 3 moieties attached to the formal double bond of 3,3-dimethylcyclopropene are examined. Regularities in observed trends of vibrational frequencies implicating the moieties containing the X atom, as the X atomic mass is increased, are extrapolated to X=Sn. The results of this extrapolation made it possible to assign the known experimental vibrational frequencies of 3,3-dimethyl-1-(trimethylstannyl)cyclopropene and 3,3-dimethyl-1,2-bis(trimethylstannyl)cyclopropene.

  20. The vibrational spectrum of the hydrated alanine-leucine peptide in the amide region from IR experiments and first principles calculations

    Science.gov (United States)

    Hassan, Irtaza; Donati, Luca; Stensitzki, Till; Keller, Bettina G.; Heyne, Karsten; Imhof, Petra

    2018-04-01

    We have combined infrared (IR) experiments with molecular dynamics (MD) simulations in solution at finite temperature to analyse the vibrational signature of the small floppy peptide Alanine-Leucine. IR spectra computed from first-principles MD simulations exhibit no distinct differences between conformational clusters of α -helix or β -sheet-like folds with different orientations of the bulky leucine side chain. All computed spectra show two prominent bands, in good agreement with the experiment, that are assigned to the stretch vibrations of the carbonyl and carboxyl group, respectively. Variations in band widths and exact maxima are likely due to small fluctuations in the backbone torsion angles.

  1. Bony vibration stimulation test combined with magnetic resonance imaging. Can discography be replaced?

    Science.gov (United States)

    Yrjämä, M; Tervonen, O; Kurunlahti, M; Vanharanta, H

    1997-04-01

    The results of two noninvasive methods, magnetic resonance imaging and a bony vibration test, were compared with discographic pain provocation findings. To evaluate whether the combination of magnetic resonance imaging and vibration pain provocation tests could be used to replace discography in low back pain diagnostics. Magnetic resonance imaging gives a wealth of visual information on anatomic changes of the spine with often unknown clinical significance. Discographic examination of the spine is still the only widely accepted diagnostic method that can relate the pathoanatomic changes to the patient's clinical pain. Internal anular rupture has been shown to be one of the sources of back pain. The bony vibration test of the spinal processes has been shown correlate well with discographic pain provocation tests in cases of internal anular rupture. The three lowest lumbar discs of 33 patients with back pain were examined by means of magnetic resonance imaging and a bony vibration stimulation test, and the results were compared with those from computed tomography-discography. In cases of intradiscal magnetic resonance imaging findings, the vibration provocation test showed a sensitivity of 0.88 and a specificity of 0.50 compared with the discographic pain provocation test. If the patients with previous back surgery were excluded, the specificity was 0.75. In the cases of total anular rupture, the sensitivity was 0.50, and the specificity was 0.33. The combination of the two noninvasive methods, vibration stimulation and magnetic resonance imaging, gives more information on the origin of the back pain than magnetic resonance imaging alone. The pathoanatomic changes seen in magnetic resonance imaging can be correlated with the patient's disorder more reliably using the vibration provocation test in the cases of partial anular ruptures. The use of discography can be limited mostly to cases with total anular ruptures detected by magnetic resonance imaging.

  2. FEATURES OF WELDED TITANIUM STRUCTURE ELEMENT DESTRUCTION (RIBBED PANELS UNDER VIBRATION LOADS

    Directory of Open Access Journals (Sweden)

    Mr. Pavel V. Bakhmatov

    2016-12-01

    Full Text Available The article presents data on the experimental studies results of welded ribbed panel vibration load of the BT-20 titanium alloy. It was established that in the areas of attachment, there is elevated dynamic alternating stress, which in combination with the "hard" of the sample holder creates favorable conditions for the emergence and development of fatigue cracks, and stress concentrators greatly reduce the time before the formation of the hearth destruction. An exception in these zones of superficial defects do not affect the nature and kinetics of destruction. Construction of titanium alloys made in the application of gas-laser cutting blanks for optimal regimes in the technical environment of nitrogen and subsequent heat treatment on vibration reliability is not inferior to design, made by traditional technology.

  3. Stochastic modeling of friction force and vibration analysis of a mechanical system using the model

    International Nuclear Information System (INIS)

    Kang, Won Seok; Choi, Chan Kyu; Yoo, Hong Hee

    2015-01-01

    The squeal noise generated from a disk brake or chatter occurred in a machine tool primarily results from friction-induced vibration. Since friction-induced vibration is usually accompanied by abrasion and lifespan reduction of mechanical parts, it is necessary to develop a reliable analysis model by which friction-induced vibration phenomena can be accurately analyzed. The original Coulomb's friction model or the modified Coulomb friction model employed in most commercial programs employs deterministic friction coefficients. However, observing friction phenomena between two contact surfaces, one may observe that friction coefficients keep changing due to the unevenness of contact surface, temperature, lubrication and humidity. Therefore, in this study, friction coefficients are modeled as random parameters that keep changing during the motion of a mechanical system undergoing friction force. The integrity of the proposed stochastic friction model was validated by comparing the analysis results obtained by the proposed model with experimental results.

  4. Adaptive super twisting vibration control of a flexible spacecraft with state rate estimation

    Science.gov (United States)

    Malekzadeh, Maryam; Karimpour, Hossein

    2018-05-01

    The robust attitude and vibration control of a flexible spacecraft trying to perform accurate maneuvers in spite of various sources of uncertainty is addressed here. Difficulties for achieving precise and stable pointing arise from noisy onboard sensors, parameters indeterminacy, outer disturbances as well as un-modeled or hidden dynamics interactions. Based on high-order sliding-mode methods, the non-minimum phase nature of the problem is dealt with through output redefinition. An adaptive super-twisting algorithm (ASTA) is incorporated with its observer counterpart on the system under consideration to get reliable attitude and vibration control in the presence of sensor noise and momentum coupling. The closed-loop efficiency is verified through simulations under various indeterminate situations and got compared to other methods.

  5. Lead free solder mechanics and reliability

    CERN Document Server

    Pang, John Hock Lye

    2012-01-01

    Lead-free solders are used extensively as interconnection materials in electronic assemblies and play a critical role in the global semiconductor packaging and electronics manufacturing industry. Electronic products such as smart phones, notebooks and high performance computers rely on lead-free solder joints to connect IC chip components to printed circuit boards. Lead Free Solder: Mechanics and Reliability provides in-depth design knowledge on lead-free solder elastic-plastic-creep and strain-rate dependent deformation behavior and its application in failure assessment of solder joint reliability. It includes coverage of advanced mechanics of materials theory and experiments, mechanical properties of solder and solder joint specimens, constitutive models for solder deformation behavior; numerical modeling and simulation of solder joint failure subject to thermal cycling, mechanical bending fatigue, vibration fatigue and board-level drop impact tests. This book also: Discusses the mechanical prope...

  6. Recent advances in computational structural reliability analysis methods

    Science.gov (United States)

    Thacker, Ben H.; Wu, Y.-T.; Millwater, Harry R.; Torng, Tony Y.; Riha, David S.

    1993-10-01

    The goal of structural reliability analysis is to determine the probability that the structure will adequately perform its intended function when operating under the given environmental conditions. Thus, the notion of reliability admits the possibility of failure. Given the fact that many different modes of failure are usually possible, achievement of this goal is a formidable task, especially for large, complex structural systems. The traditional (deterministic) design methodology attempts to assure reliability by the application of safety factors and conservative assumptions. However, the safety factor approach lacks a quantitative basis in that the level of reliability is never known and usually results in overly conservative designs because of compounding conservatisms. Furthermore, problem parameters that control the reliability are not identified, nor their importance evaluated. A summary of recent advances in computational structural reliability assessment is presented. A significant level of activity in the research and development community was seen recently, much of which was directed towards the prediction of failure probabilities for single mode failures. The focus is to present some early results and demonstrations of advanced reliability methods applied to structural system problems. This includes structures that can fail as a result of multiple component failures (e.g., a redundant truss), or structural components that may fail due to multiple interacting failure modes (e.g., excessive deflection, resonate vibration, or creep rupture). From these results, some observations and recommendations are made with regard to future research needs.

  7. Vibrational frequency analysis, FT-IR, DFT and M06-2X studies on tert-Butyl N-(thiophen-2yl)carbamate

    Science.gov (United States)

    Sert, Yusuf; Singer, L. M.; Findlater, M.; Doğan, Hatice; Çırak, Ç.

    2014-07-01

    In this study, the experimental and theoretical vibrational frequencies of a newly synthesized tert-Butyl N-(thiophen-2yl)carbamate have been investigated. The experimental FT-IR (4000-400 cm-1) spectrum of the molecule in the solid phase have been recorded. The theoretical vibrational frequencies and optimized geometric parameters (bond lengths and bond angles) have been calculated by using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr) and DFT/M06-2X (the highly parametrized, empirical exchange correlation function) quantum chemical methods with the 6-311++G(d,p) basis set by Gaussian 09W software, for the first time. The vibrational frequencies have been assigned using potential energy distribution (PED) analysis by using VEDA 4 software. The computational optimized geometric parameters and vibrational frequencies have been found to be in good agreement with the corresponding experimental data, and with related literature results. In addition, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies and the other related molecular energy values have been calculated and are depicted.

  8. Theoretical Investigation on the Molecular Structure, Vibrational and NMR Spectra of N, N, 4-Tri chlorobenzenesulfonamide

    International Nuclear Information System (INIS)

    Cinar, M.

    2008-01-01

    In the present study, the structural properties of N,N,4-Tri chlorobenzenesulfonamide have been studied extensively using Density Functional Theory (DFT) employing B3LYP exchange correlation. The geometry of the molecule was fully optimized, vibrational spectrum was calculated and fundamental vibrations were assigned based on the scaled theoretical wavenumbers. The 1 H and 13 C nuclear magnetic resonance (NMR) chemical shifts of the compound were calculated using the Gauge-Invariant Atomic Orbital (GIAO) method. To investigate the basis set effects, calculations were performed at the 6-31G(d,p), 6-311G(d,p), 6-31++G(d,p) and 6-311++G(d,p) levels. Finally, geometric parameters, vibrational bands and isotropic chemical shifts were compared with available experimental data of compound. The fully optimized geometry of the molecule was found to be consistent with the X-ray crystal structure. The observed and calculated frequencies and chemical shifts were found to be in very good agreement. The computed results appear that the basis set has slight effect on the molecular geometry of N,N,4-Tri chlorobenzenesulfonamide

  9. Effects of whole-body vibration training on explosive strength and postural control in young female athletes.

    Science.gov (United States)

    Fort, Azahara; Romero, Daniel; Bagur, Caritat; Guerra, Myriam

    2012-04-01

    This study aimed to evaluate the effectiveness of a whole-body vibration training program to improve neuromuscular performance in young elite female athletes. Twenty-three women basketball players (14-18 years old) were randomly assigned to a control group (CG, n = 11) or to a whole-body vibration group (WBVG, n = 12). During the study period, both groups continued their usual training program, but the WBVG also underwent a 15-week vibration training program. We analyzed the countermovement jump test (CMJ), the 1-leg hop test for the right leg and for the left leg, and the single-limb standing balance for both legs and with eyes open and closed at 3 time points: before training (T1), after an 8-week training period (T2), and after a further 7-week training period (T3). Compared with the CG, CMJ increased significantly in the WBVG from T1 to T2 (6.47%, p training program improves explosive strength and postural stability in adolescent female basketball players.

  10. UOP LDR 300 All Assignments New

    OpenAIRE

    ADMIN

    2018-01-01

    UOP LDR 300 All Assignments New Check this A+ tutorial guideline at http://www.ldr300assignment.com/ldr-300-uop/ldr-300-all-assignments-latest For more classes visit http://www.ldr300assignment.com LDR 300 Week 1 Assignment Leadership Assessment (2 Papers) LDR 300 Week 2 Assignment Leadership Theories Matrix (2 Set) LDR 300 Week 2 Assignment Formulating Leadership Part I (2 Papers) LDR 300 Week 3 Assignment Interaction and Influence Amo...

  11. Bandshapes in vibrational spectroscopy

    International Nuclear Information System (INIS)

    Dijkman, F.G.

    1978-01-01

    A detailed account is given of the development of modern bandshape theories since 1965. An investigation into the relative contributions of statistical irreversible relaxation processes is described, for a series of molecules in which gradually the length of one molecular axis is increased. An investigation into the theoretical and experimental investigation of the broadening brought about by the effect of fluctuating intermolecular potentials on the vibrational frequency is also described. The effect of an intermolecular perturbative potential on anharmonic and Morse oscillators is discussed and the results are presented of a computation on the broadening of the vibrational band of some diatomic molecules in a rigid lattice type solvent. The broadening of the OH-stretching vibration in a number of aliphatic alcohols, the vibrational bandshapes of the acetylenic C-H stretching vibration and of the symmetric methyl stretching vibration are investigated. (Auth./ C.F.)

  12. Synthesis, molecular structure, FT-IR and XRD investigations of 2-(4-chlorophenyl)-2-oxoethyl 2-chlorobenzoate: a comparative DFT study.

    Science.gov (United States)

    Chidan Kumar, C S; Fun, Hoong Kun; Tursun, Mahir; Ooi, Chin Wei; Chandraju, Siddegowda; Quah, Ching Kheng; Parlak, Cemal

    2014-04-24

    2-(4-Chlorophenyl)-2-oxoethyl 2-chlorobenzoate has been synthesized, its structural and vibrational properties have been reported using FT-IR and single-crystal X-ray diffraction (XRD) studies. The conformational analysis, optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of the synthesized compound (C15H10Cl2O3) have been examined by means of Becke-3-Lee-Yang-Parr (B3LYP) density functional theory (DFT) method together with 6-31++G(d,p) basis set. Furthermore, reliable conformational investigation and vibrational assignments have been made by the potential energy surface (PES) and potential energy distribution (PED) analyses, respectively. Calculations are performed with two possible conformations. The title compound crystallizes in orthorhombic space group Pbca with the unit cell dimensions a=12.312(5) Å, b=8.103(3) Å, c=27.565(11) Å, V=2750.0(19) Å(3). B3LYP method provides satisfactory evidence for the prediction of vibrational wavenumbers and structural parameters. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Fair Package Assignment

    Science.gov (United States)

    Lahaie, Sébastien; Parkes, David C.

    We consider the problem of fair allocation in the package assignment model, where a set of indivisible items, held by single seller, must be efficiently allocated to agents with quasi-linear utilities. A fair assignment is one that is efficient and envy-free. We consider a model where bidders have superadditive valuations, meaning that items are pure complements. Our central result is that core outcomes are fair and even coalition-fair over this domain, while fair distributions may not even exist for general valuations. Of relevance to auction design, we also establish that the core is equivalent to the set of anonymous-price competitive equilibria, and that superadditive valuations are a maximal domain that guarantees the existence of anonymous-price competitive equilibrium. Our results are analogs of core equivalence results for linear prices in the standard assignment model, and for nonlinear, non-anonymous prices in the package assignment model with general valuations.

  14. Nonplanar tertiary amides in rigid chiral tricyclic dilactams. Peptide group distortions and vibrational optical activity.

    Science.gov (United States)

    Pazderková, Markéta; Profant, Václav; Hodačová, Jana; Sebestík, Jaroslav; Pazderka, Tomáš; Novotná, Pavlína; Urbanová, Marie; Safařík, Martin; Buděšínský, Miloš; Tichý, Miloš; Bednárová, Lucie; Baumruk, Vladimír; Maloň, Petr

    2013-08-22

    We investigate amide nonplanarity in vibrational optical activity (VOA) spectra of tricyclic spirodilactams 5,8-diazatricyclo[6,3,0,0(1,5)]undecan-4,9-dione (I) and its 6,6',7,7'-tetradeuterio derivative (II). These rigid molecules constrain amide groups to nonplanar geometries with twisted pyramidal arrangements of bonds to amide nitrogen atoms. We have collected a full range vibrational circular dichroism (VCD) and Raman optical activity (ROA) spectra including signals of C-H and C-D stretching vibrations. We report normal-mode analysis and a comparison of calculated to experimental VCD and ROA. The data provide band-to-band assignment and offer a possibility to evaluate roles of constrained nonplanar tertiary amide groups and rigid chiral skeletons. Nonplanarity shows as single-signed VCD and ROA amide I signals, prevailing the couplets expected to arise from the amide-amide interaction. Amide-amide coupling dominates amide II (mainly C'-N stretching, modified in tertiary amides by the absence of a N-H bond) transitions (strong couplet in VCD, no significant ROA) probably due to the close proximity of amide nitrogen atoms. At lower wavenumbers, ROA spectra exhibit another likely manifestation of amide nonplanarity, showing signals of amide V (δ(oop)(N-C) at ~570 cm(-1)) and amide VI (δ(oop)(C'═O) at ~700 cm(-1) and ~650 cm(-1)) vibrations.

  15. Nonlinear Response of Vibrational Conveyers with Nonideal Vibration Exciter: Superharmonic and Subharmonic Resonance

    Directory of Open Access Journals (Sweden)

    H. Bayıroğlu

    2012-01-01

    Full Text Available Vibrational conveyers with a centrifugal vibration exciter transmit their load based on the jumping method. Common unbalanced-mass driver oscillates the trough. The motion is strictly related to the vibrational parameters. The transition over resonance of a vibratory system, excited by rotating unbalances, is important in terms of the maximum vibrational amplitude produced and the power demand on the drive for the crossover. The mechanical system is driven by the DC motor. In this study, the working ranges of oscillating shaking conveyers with nonideal vibration exciter have been analyzed analytically for superharmonic and subharmonic resonances by the method of multiple scales and numerically. The analytical results obtained in this study agree well with the numerical results.

  16. Monitoring of Rotor-Stator Interaction in Pump-Turbine Using Vibrations Measured with On-Board Sensors Rotating with Shaft

    Directory of Open Access Journals (Sweden)

    Cristian G. Rodriguez

    2014-01-01

    Full Text Available Current trends in design of pump-turbines have led into higher rotor-stator interaction (RSI loads over impeller-runner. These dynamic loads are of special interest having produced catastrophic failures in pump-turbines. Determining RSI characteristics facilitates the proposal of actions that will prevent these failures. Pressure measurements all around the perimeter of the impeller-runner are appropriate to monitor and detect RSI characteristics. Unfortunately most installed pump-turbines are not manufactured with in-built pressure sensors in appropriate positions to monitor RSI. For this reason, vibration measurements are the preferred method to monitor RSI in industry. Usually vibrations are measured in two perpendicular radial directions in bearings where valuable information could be lost due to bearing response. In this work, in order to avoid the effect of bearing response on measurement, two vibration sensors are installed rotating with the shaft. The RSI characteristics obtained with pressure measurements were compared to those determined using vibration measurements. The RSI characteristics obtained with pressure measurements were also determined using vibrations measured rotating with shaft. These RSI characteristics were not possible to be determined using the vibrations measured in guide bearing. Finally, it is recommended to measure vibrations rotating with shaft to detect RSI characteristics in installed pump-turbines as a more practical and reliable method to monitor RSI characteristics.

  17. Operational and reliability experience with reactor instrumentation

    International Nuclear Information System (INIS)

    Dixon, F.; Gow, R.S.

    1978-01-01

    In the last 15 years the CEGB has experienced progressive plant development, integration and changes in operating regime through nine nuclear (gas-cooled reactor) power stations with corresponding instrumentation advances leading towards more refined centralized control. Operation and reliability experience with reactor instrumentation is reported in this paper with reference to the progressive changes related to the early magnox, late magnox and AGR periods. Data on instrumentation reliability in terms of reactor forced outages are presented and show that the instrumentation contributions to loss of generating plant availability are small. Reactor safety circuits, neutron flux and temperature measurements, gas analysis and vibration monitoring are discussed. In reviewing the reactor instrumentation the emphasis is on reporting recent experience, particularly on AGR equipment, but overall performance and changes to magnox equipment are included so that some appreciation can be obtained of instrumentation requirements with respect to plant lifetimes. (author)

  18. Ion-molecule interactions of biological importance. A vibrational spectroscopic study of magnesium complexes with hydroxylated quinones; Interactions ions-molecules d'interet biologique. Etude par spectrometrie de vibrations de la complexation du magnesium avec des molecules quinoniques hydroxylees

    Energy Technology Data Exchange (ETDEWEB)

    Kirszenbaum, Marek

    1976-06-14

    Luteoskyrin and rugulosin are two naturally occurring yellow pigments with hydroxylated bis-anthraquinonic structures. They cause serious liver disorders in man due to the formation of complexes of the type pigment-Mg{sup 2+}-DNA. In order to elucidate the structure of these complexes we have studied the vibrational spectra of some model systems, namely 1-hydroxy- and 1,4-dihydroxyanthraquinone, their magnesium chelate complexes, and a series of simpler complexes as the acetylacetonates of some divalent metals. Complete vibrational assignment are proposed for anthraquinone-9,10, the two hydroxylated and deureroxylated derivatives and their magnesium complexes. The substitution of {sup 26}Mg in place of {sup 24}Mg in these complexes enabled us to assign the Mg-O vibrations; their number corresponds to a hexa-coordinated metal in the acetylacetonate case and to a tetra-coordinated structure in the anthraquinone-olates complexes. The position of the ν C=0 and ν C-0 vibrations bands in the complexes shows that the bonds in the chelated ring of Mg(1-O-AQ){sub 2} retains their single and double bond characteristic whereas in the CMg(1,4-O{sub 2},-AQ){sub n} a resonating structure appears in the ring. The study of the IR and R spectra of the complexes enabled a tetrahedral structure to be proposed for the oxygens around the magnesium. Finally it was noted that the Mg-O bonds possessed a high degree of covalent character. (author) [French] La luteoskyrine et la rugulosine, deux pigments jaunes de structure de bis-anthraquinones hydroxylees, provoquent des troubles hepatiques graves par la formation des complexes pigment-Mg{sup 2+}-ADN. Dans le but d'eclaircir la structure de ces complexes nous avons etudie, par spectrometrie de vibrations, les systemes-modeles suivants: la 1-hydroxy- et la 1,4-dihydroxyanthraquinones, leurs complexes magnesies et une serie des complexes plus simples, tels que les acetylacetonates. de metaux divalents. Nous avons propose une attribution

  19. MYRRHA cryogenic system study on performances and reliability requirements

    International Nuclear Information System (INIS)

    Junquera, T.; Chevalier, N.R.; Thermeau, J.P.; Medeiros Romao, L.; Vandeplassche, D.

    2015-01-01

    A precise evaluation of the cryogenic requirements for accelerator-driven system such as the MYRRHA project has been performed. In particular, operation temperature, thermal losses, and required cryogenic power have been evaluated. A preliminary architecture of the cryogenic system including all its major components, as well as the principles for the cryogenic fluids distribution has been proposed. A detailed study on the reliability aspects has also been initiated. This study is based on the reliability of large cryogenic systems used for accelerators like HERA, LHC or SNS Linac. The requirements to guarantee good cryogenic system availability can be summarised as follows: 1) Mean Time Between Maintenance (MTBM) should be > 8 000 hours; 2) Valves, heat exchangers and turbines are particularly sensitive elements to impurities (dust, oil, gases), improvements are necessary to keep a minimal level in these components; 3) Redundancy studies for all elements containing moving/vibrating parts (turbines, compressors, including their respective bearings and seal shafts) are necessary; 4) Periodic maintenance is mandatory: oil checks, control of screw compressors every 10.000-15.000 hours, vibration surveillance programme, etc; 5) Special control and maintenance of utilities equipment (supply of cooling water, compressed air and electrical supply) is necessary; 6) Periodic vacuum checks to identify leakage appearance such as insulation vacuum of transfer lines and distribution boxes are necessary; 7) Easily exchangeable cold compressors are required

  20. A human reliability based usability evaluation method for safety-critical software

    International Nuclear Information System (INIS)

    Boring, R. L.; Tran, T. Q.; Gertman, D. I.; Ragsdale, A.

    2006-01-01

    Boring and Gertman (2005) introduced a novel method that augments heuristic usability evaluation methods with that of the human reliability analysis method of SPAR-H. By assigning probabilistic modifiers to individual heuristics, it is possible to arrive at the usability error probability (UEP). Although this UEP is not a literal probability of error, it nonetheless provides a quantitative basis to heuristic evaluation. This method allows one to seamlessly prioritize and identify usability issues (i.e., a higher UEP requires more immediate fixes). However, the original version of this method required the usability evaluator to assign priority weights to the final UEP, thus allowing the priority of a usability issue to differ among usability evaluators. The purpose of this paper is to explore an alternative approach to standardize the priority weighting of the UEP in an effort to improve the method's reliability. (authors)

  1. Rare gas dependence of vibration--vibration energy transfer processes: A diagnostic technique. Applications to CH2D2 and CH3F

    International Nuclear Information System (INIS)

    Apkarian, V.A.; Weitz, E.

    1979-01-01

    The rare gas dependence of V--V rates can be used as a diagnostic technique to identify different mechanisms of vibrational energy transfer and determine the rate constants for individual kinetic steps. The method is especially useful for the identification and measurement of rates of resonant vibrational energy transfer processes. Analytical and numerical solutions of pertinent model equations are presented and their range of applicability is discussed. The technique is applied to CH 2 D 2 and CH 3 F. In CH 2 D 2 results of studies on ν 9 , [ν 1 , ν 6 ] and states in the 2000 cm -1 region are presented where the application of the technique has made it possible to identify the pathways leading to population of these states and to assign rate constants to some of the steps involved. In CH 3 F, by studying the Ar dependence of the V--V rates of the [ν 2 , ν 5 ] and [ν 1 , ν 4 ] states it has been possible to construct a complete map of energy transfer pathways which can explain all experimental observations for this system, to date. The general applicability of the technique and its potential application to other systems is also considered

  2. Accurate spectroscopic characterization of oxirane: A valuable route to its identification in Titan's atmosphere and the assignment of unidentified infrared bands

    Energy Technology Data Exchange (ETDEWEB)

    Puzzarini, Cristina [Dipartimento di Chimica " Giacomo Ciamician," Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy); Biczysko, Malgorzata; Bloino, Julien; Barone, Vincenzo, E-mail: cristina.puzzarini@unibo.it [Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa (Italy)

    2014-04-20

    In an effort to provide an accurate spectroscopic characterization of oxirane, state-of-the-art computational methods and approaches have been employed to determine highly accurate fundamental vibrational frequencies and rotational parameters. Available experimental data were used to assess the reliability of our computations, and an accuracy on average of 10 cm{sup –1} for fundamental transitions as well as overtones and combination bands has been pointed out. Moving to rotational spectroscopy, relative discrepancies of 0.1%, 2%-3%, and 3%-4% were observed for rotational, quartic, and sextic centrifugal-distortion constants, respectively. We are therefore confident that the highly accurate spectroscopic data provided herein can be useful for identification of oxirane in Titan's atmosphere and the assignment of unidentified infrared bands. Since oxirane was already observed in the interstellar medium and some astronomical objects are characterized by very high D/H ratios, we also considered the accurate determination of the spectroscopic parameters for the mono-deuterated species, oxirane-d1. For the latter, an empirical scaling procedure allowed us to improve our computed data and to provide predictions for rotational transitions with a relative accuracy of about 0.02% (i.e., an uncertainty of about 40 MHz for a transition lying at 200 GHz).

  3. Plagiarism-Proofing Assignments

    Science.gov (United States)

    Johnson, Doug

    2004-01-01

    Mr. Johnson has discovered that the higher the level of student engagement and creativity, the lower the probability of plagiarism. For teachers who would like to see such desirable results, he describes the characteristics of assignments that are most likely to produce them. Two scenarios of types of assignments that avoid plagiarism are…

  4. Electronic and vibrational spectroscopy and vibrationally mediated photodissociation of V+(OCO).

    Science.gov (United States)

    Citir, Murat; Altinay, Gokhan; Metz, Ricardo B

    2006-04-20

    Electronic spectra of gas-phase V+(OCO) are measured in the near-infrared from 6050 to 7420 cm(-1) and in the visible from 15,500 to 16,560 cm(-1), using photofragment spectroscopy. The near-IR band is complex, with a 107 cm(-1) progression in the metal-ligand stretch. The visible band shows clearly resolved vibrational progressions in the metal-ligand stretch and rock, and in the OCO bend, as observed by Brucat and co-workers. A vibrational hot band gives the metal-ligand stretch frequency in the ground electronic state nu3'' = 210 cm(-1). The OCO antisymmetric stretch frequency in the ground electronic state (nu1'') is measured by using vibrationally mediated photodissociation. An IR laser vibrationally excites ions to nu1'' = 1. Vibrationally excited ions selectively dissociate following absorption of a second, visible photon at the nu1' = 1 CO2, due to interaction with the metal. Larger blue shifts observed for complexes with fewer ligands agree with trends seen for larger V+(OCO)n clusters.

  5. Vibration Sensor Monitoring of Nickel-Titanium Alloy Turning for Machinability Evaluation

    Directory of Open Access Journals (Sweden)

    Tiziana Segreto

    2017-12-01

    Full Text Available Nickel-Titanium (Ni-Ti alloys are very difficult-to-machine materials causing notable manufacturing problems due to their unique mechanical properties, including superelasticity, high ductility, and severe strain-hardening. In this framework, the aim of this paper is to assess the machinability of Ni-Ti alloys with reference to turning processes in order to realize a reliable and robust in-process identification of machinability conditions. An on-line sensor monitoring procedure based on the acquisition of vibration signals was implemented during the experimental turning tests. The detected vibration sensorial data were processed through an advanced signal processing method in time-frequency domain based on wavelet packet transform (WPT. The extracted sensorial features were used to construct WPT pattern feature vectors to send as input to suitably configured neural networks (NNs for cognitive pattern recognition in order to evaluate the correlation between input sensorial information and output machinability conditions.

  6. Vibration Sensor Monitoring of Nickel-Titanium Alloy Turning for Machinability Evaluation.

    Science.gov (United States)

    Segreto, Tiziana; Caggiano, Alessandra; Karam, Sara; Teti, Roberto

    2017-12-12

    Nickel-Titanium (Ni-Ti) alloys are very difficult-to-machine materials causing notable manufacturing problems due to their unique mechanical properties, including superelasticity, high ductility, and severe strain-hardening. In this framework, the aim of this paper is to assess the machinability of Ni-Ti alloys with reference to turning processes in order to realize a reliable and robust in-process identification of machinability conditions. An on-line sensor monitoring procedure based on the acquisition of vibration signals was implemented during the experimental turning tests. The detected vibration sensorial data were processed through an advanced signal processing method in time-frequency domain based on wavelet packet transform (WPT). The extracted sensorial features were used to construct WPT pattern feature vectors to send as input to suitably configured neural networks (NNs) for cognitive pattern recognition in order to evaluate the correlation between input sensorial information and output machinability conditions.

  7. Portable vibration exciter

    Science.gov (United States)

    Beecher, L. C.; Williams, F. T.

    1970-01-01

    Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.

  8. Conformational analysis and vibrational studies of ethylenediamine-d4, using DFT method

    International Nuclear Information System (INIS)

    Catikkas, B.

    2010-01-01

    In this work, conformational analysis and quantum chemical calculations of ethylenediamine-d4 were carried out. The geometry optimization and the geometric parameters (bond length, bond angle and tortion angle) were calculated. The Infrared and Raman frequencies of fundamental modes of the most stable conformer were determined. Calculations were carried out by using the MPW1PW91/6-311+G(d,p) method and Gaussian03 and GaussView3.0 programs. Populations of the conformers was calculated. Vibrational assignments of the title molecule were calculated by using Scaled Quantum Mechanical (SQM) analysis. Calculated values were compared with the experimental ones.

  9. Active Suppression of Drilling System Vibrations For Deep Drilling

    Energy Technology Data Exchange (ETDEWEB)

    Raymond, David W.; Blankenship, Douglas A.; Buerger, Stephen; Mesh, Mikhail; Radigan, William Thomas; Su, Jiann-Cherng

    2015-10-01

    The dynamic stability of deep drillstrings is challenged by an inability to impart controllability with ever-changing conditions introduced by geology, depth, structural dynamic properties and operating conditions. A multi-organizational LDRD project team at Sandia National Laboratories successfully demonstrated advanced technologies for mitigating drillstring vibrations to improve the reliability of drilling systems used for construction of deep, high-value wells. Using computational modeling and dynamic substructuring techniques, the benefit of controllable actuators at discrete locations in the drillstring is determined. Prototype downhole tools were developed and evaluated in laboratory test fixtures simulating the structural dynamic response of a deep drillstring. A laboratory-based drilling applicability demonstration was conducted to demonstrate the benefit available from deployment of an autonomous, downhole tool with self-actuation capabilities in response to the dynamic response of the host drillstring. A concept is presented for a prototype drilling tool based upon the technical advances. The technology described herein is the subject of U.S. Patent Application No. 62219481, entitled "DRILLING SYSTEM VIBRATION SUPPRESSION SYSTEMS AND METHODS", filed September 16, 2015.

  10. Benchmarking fully analytic DFT force fields for vibrational spectroscopy: A study on halogenated compounds

    Science.gov (United States)

    Pietropolli Charmet, Andrea; Cornaton, Yann

    2018-05-01

    This work presents an investigation of the theoretical predictions yielded by anharmonic force fields having the cubic and quartic force constants are computed analytically by means of density functional theory (DFT) using the recursive scheme developed by M. Ringholm et al. (J. Comput. Chem. 35 (2014) 622). Different functionals (namely B3LYP, PBE, PBE0 and PW86x) and basis sets were used for calculating the anharmonic vibrational spectra of two halomethanes. The benchmark analysis carried out demonstrates the reliability and overall good performances offered by hybrid approaches, where the harmonic data obtained at the coupled cluster with single and double excitations level of theory augmented by a perturbational estimate of the effects of connected triple excitations, CCSD(T), are combined with the fully analytic higher order force constants yielded by DFT functionals. These methods lead to reliable and computationally affordable calculations of anharmonic vibrational spectra with an accuracy comparable to that yielded by hybrid force fields having the anharmonic force fields computed at second order Møller-Plesset perturbation theory (MP2) level of theory using numerical differentiation but without the corresponding potential issues related to computational costs and numerical errors.

  11. Infrared spectroscopy of flavones and flavonols. Reexamination of the hydroxyl and carbonyl vibrations in relation to the interactions of flavonoids with membrane lipids

    Science.gov (United States)

    Baranović, Goran; Šegota, Suzana

    2018-03-01

    Detailed vibrational assignments for twelve flavonoids (seven flavones (flavone, 3- and 5-hydroxyflavone, chrysin, apigenin, fisetin and luteolin) and five flavonols (galangin, kaempferol, quercetin, morin and myricetin)) have been made based on own and reported experimental data and calculations at the B3LYP/6-31 + G(d,p) level of theory. All the molecules are treated in a uniform way by using the same set of redundancy-free set of internal coordinates. A generalized harmonic mode mixing is used to corroborate the vibrational characteristics of this important class of molecules. Each flavonoid molecule can be treated from the vibrational point of view as made of relatively weakly coupled chromone and phenyl part. It has been shown that the strongest band around 1600 cm- 1 need not be attributable to the Cdbnd O stretching. The way the vibrations of any of the hydroxyl groups are mixed with ring vibrations and vibrations of other neighboring hydroxyl groups is rather involved. This imposes severe limitations on any attempt to describe normal modes of a flavonol in terms of hydroxyl or carbonyl group vibrations. The role of water molecules in the appearance of flavonoid IR spectra is emphasized. Knowing for the great affinity of phosphate groups in lipids towards water, the immediate consequence is a reasonable assumption that flavonoid lipid interactions is mediated by water.

  12. Adaptive Robust Sliding Mode Vibration Control of a Flexible Beam Using Piezoceramic Sensor and Actuator: An Experimental Study

    Directory of Open Access Journals (Sweden)

    Ruo Lin Wang

    2014-01-01

    Full Text Available This paper presents an experimental study of an adaptive robust sliding mode control scheme based on the Lyapunov’s direct method for active vibration control of a flexible beam using PZT (lead zirconate titanate sensor and actuator. PZT, a type of piezoceramic material, has the advantages of high reliability, high bandwidth, and solid state actuation and is adopted here in forms of surface-bond patches for vibration control. Two adaptive robust sliding mode controllers for vibration suppression are designed: one uses a discontinuous bang-bang robust compensator and the other uses a smooth compensator with a hyperbolic tangent function. Both controllers guarantee asymptotic stability, as proved by the Lyapunov’s direct method. Experimental results verified the effectiveness and the robustness of both adaptive sliding mode controllers. However, from the experimental results, the bang-bang robust compensator causes small-magnitude chattering because of the discontinuous switching actions. With the smooth compensator, vibration is quickly suppressed and no chattering is induced. Furthermore, the robustness of the controllers is successfully demonstrated with ensured effectiveness in vibration control when masses are added to the flexible beam.

  13. High-Temperature Vibration Damper

    Science.gov (United States)

    Clarke, Alan; Litwin, Joel; Krauss, Harold

    1987-01-01

    Device for damping vibrations functions at temperatures up to 400 degrees F. Dampens vibrational torque loads as high as 1,000 lb-in. but compact enough to be part of helicopter rotor hub. Rotary damper absorbs energy from vibrating rod, dissipating it in turbulent motion of viscous hydraulic fluid forced by moving vanes through small orifices.

  14. Ground test for vibration control demonstrator

    Science.gov (United States)

    Meyer, C.; Prodigue, J.; Broux, G.; Cantinaud, O.; Poussot-Vassal, C.

    2016-09-01

    In the objective of maximizing comfort in Falcon jets, Dassault Aviation is developing an innovative vibration control technology. Vibrations of the structure are measured at several locations and sent to a dedicated high performance vibration control computer. Control laws are implemented in this computer to analyse the vibrations in real time, and then elaborate orders sent to the existing control surfaces to counteract vibrations. After detailing the technology principles, this paper focuses on the vibration control ground demonstration that was performed by Dassault Aviation in May 2015 on Falcon 7X business jet. The goal of this test was to attenuate vibrations resulting from fixed forced excitation delivered by shakers. The ground test demonstrated the capability to implement an efficient closed-loop vibration control with a significant vibration level reduction and validated the vibration control law design methodology. This successful ground test was a prerequisite before the flight test demonstration that is now being prepared. This study has been partly supported by the JTI CleanSky SFWA-ITD.

  15. The interior working mechanism and temperature characteristics of a fluid based micro-vibration isolator

    Science.gov (United States)

    Wang, Jie; Zhao, Shougen; Wu, Dafang; Jing, Xingjian

    2016-01-01

    Micro-vibration isolation is a hot topic in spacecraft vibration control, and fluid based vibration isolators alternatively provide a good and reliable solution to this challenging issue. In this paper, a novel fluid based micro-vibration isolator (FBMVI) is investigated. According to its inherent working principle and deformation pattern, the generation mechanisms of the damping and stiffness characteristics are derived, which are nonlinear functions of the environmental temperature. Then a lumped parameter model which is expressed by the physical design parameters (PDPs) is constructed, and the corresponding performance objective indices (POIs) are also obtained by applying the equivalence of mechanical impedance. Based on the finite element analysis of the internal damping component, a single variable method is further adopted to carry out the parametric study, and the influences of each PDP on the POIs are analyzed in details. Finally, experiments are conducted to identify the variation of fluid bulk modulus with the outside environmental temperature, and to validate the performance of the isolator under different temperature environments. The tested results show great consistence compared with the predicted tendencies of the parametric study. The results of this study can provide a very useful insight into and/or an important guidance for the design and application of this type of FBMVIs in engineering practice.

  16. Structure, conformations, vibrations, and ideal-gas properties of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic pairs and constituent ions.

    Science.gov (United States)

    Paulechka, Yauheni U; Kabo, Gennady J; Emel'yanenko, Vladimir N

    2008-12-11

    Energies, geometries, and frequencies of normal vibrations have been calculated by quantum-chemical methods for different conformers of a bis(trifluoromethylsulfonyl)imide anion (NTf2-), 1-alkyl-3-methylimidazolium cations ([C(n)mim]+, n = 2, 4, 6, 8), and [C(n)mim]NTf2 ionic pairs. The assignment of frequencies for NTf2-, [C2mim]+, and [C4mim]+ in the vibrational spectra of ionic liquids have been performed. Thermodynamic properties of [C(n)mim]NTf2, [C(n)mim]+, and NTf2- in the gas state have been calculated by the statistical thermodynamic methods. The resulting entropies are in satisfactory agreement with the values obtained from the experimental data previously reported in literature.

  17. System reliability, performance and trust in adaptable automation.

    Science.gov (United States)

    Chavaillaz, Alain; Wastell, David; Sauer, Jürgen

    2016-01-01

    The present study examined the effects of reduced system reliability on operator performance and automation management in an adaptable automation environment. 39 operators were randomly assigned to one of three experimental groups: low (60%), medium (80%), and high (100%) reliability of automation support. The support system provided five incremental levels of automation which operators could freely select according to their needs. After 3 h of training on a simulated process control task (AutoCAMS) in which the automation worked infallibly, operator performance and automation management were measured during a 2.5-h testing session. Trust and workload were also assessed through questionnaires. Results showed that although reduced system reliability resulted in lower levels of trust towards automation, there were no corresponding differences in the operators' reliance on automation. While operators showed overall a noteworthy ability to cope with automation failure, there were, however, decrements in diagnostic speed and prospective memory with lower reliability. Copyright © 2015. Published by Elsevier Ltd.

  18. Report on design and technical standard planning of vibration controlling structure on the buildings, in the Tokai Reprocessing Facility, Power Reactor and Nuclear Fuel Development Corporation

    International Nuclear Information System (INIS)

    Uryu, Mitsuru; Terada, Shuji; Shinohara, Takaharu; Yamazaki, Toshihiko; Nakayama, Kazuhiko; Kondo, Toshinari; Hosoya, Hisashi

    1997-10-01

    The Tokai reprocessing facility buildings are constituted by a lower foundation, vibration controlling layers, and upper structure. At the vibration controlling layer, a laminated rubber aiming support of the building load and extension of the eigenfrequency and a damper aiming absorption of earthquake energy are provided. Of course, the facility buildings are directly supported at the arenaceous shale (Taga Layer) of the Miocene in the Neogene confirmed to the stablest ground, as well the buildings with high vibration resistant importance in Japan. This report shows that when the vibration controlling structure is adopted for the reprocessing facility buildings where such high vibration resistance is required, reduction of input acceleration for equipments and pipings can be achieved and the earthquake resistant safety can also be maintained with sufficient tolerance and reliability. (G.K.)

  19. Mechanical vibration and shock analysis, sinusoidal vibration

    CERN Document Server

    Lalanne, Christian

    2014-01-01

    Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work! This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to m

  20. Model Predictive Vibration Control Efficient Constrained MPC Vibration Control for Lightly Damped Mechanical Structures

    CERN Document Server

    Takács, Gergely

    2012-01-01

    Real-time model predictive controller (MPC) implementation in active vibration control (AVC) is often rendered difficult by fast sampling speeds and extensive actuator-deformation asymmetry. If the control of lightly damped mechanical structures is assumed, the region of attraction containing the set of allowable initial conditions requires a large prediction horizon, making the already computationally demanding on-line process even more complex. Model Predictive Vibration Control provides insight into the predictive control of lightly damped vibrating structures by exploring computationally efficient algorithms which are capable of low frequency vibration control with guaranteed stability and constraint feasibility. In addition to a theoretical primer on active vibration damping and model predictive control, Model Predictive Vibration Control provides a guide through the necessary steps in understanding the founding ideas of predictive control applied in AVC such as: ·         the implementation of ...

  1. Studies on flow induced vibration of reactivity devices of 700 MWe Indian PHWR

    Energy Technology Data Exchange (ETDEWEB)

    Prabhakaran, K.M., E-mail: kmprabha@yahoo.com [Reactor Safety Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Goyal, P.; Dutta, Anu; Bhasin, V.; Vaze, K.K.; Ghosh, A.K. [Reactor Safety Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Pillai, Ajith V.; Mathew, Jimmy [Nuclear Power Corporation of India Ltd., Mumbai 400 094 (India)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer FIV studies on internals of heavy water filled calandria of 700 MWe Indian PHWR is presented. Black-Right-Pointing-Pointer This includes CFD and structural dynamic analysis to predict the dynamic behavior of component lying inside calandria. Black-Right-Pointing-Pointer Results of these calculations as well as conclusions from this investigation are presented. Black-Right-Pointing-Pointer It is established that FIV is not a concern in the present design of calandria internals. - Abstract: Component failures due to excessive flow-induced vibration are still affecting the performance and reliability of nuclear power stations. Tube failures due to fretting-wear in nuclear steam generators, and vibration related damage of reactor internals are of particular concern. In the Indian nuclear industry, flow induced vibrations are assessed early in the design process and the results are incorporated in the design procedures. In this paper the details of flow induced vibration studies on internals like liquid zone control unit and poison injection units of heavy water filled calandria of 700 MWe Indian pressurized heavy water reactor is given. This includes computational fluid dynamics studies from which the velocities are extracted for the components lying inside the calandria. With these velocities as input, further studies are performed to predict the dynamic behavior of these components. Results of these calculations as well as conclusions derived from this investigation are presented. Based on the studies it has been established that flow induced vibration is not a concern in the present design of 700 MWe calandria internals.

  2. The influence of flywheel micro vibration on space camera and vibration suppression

    Science.gov (United States)

    Li, Lin; Tan, Luyang; Kong, Lin; Wang, Dong; Yang, Hongbo

    2018-02-01

    Studied the impact of flywheel micro vibration on a high resolution optical satellite that space-borne integrated. By testing the flywheel micro vibration with six-component test bench, the flywheel disturbance data is acquired. The finite element model of the satellite was established and the unit force/torque were applied at the flywheel mounting position to obtain the micro vibration data of the camera. Integrated analysis of the data of the two parts showed that the influence of flywheel micro vibration on the camera is mainly concentrated around 60-80 Hz and 170-230 Hz, the largest angular displacement of the secondary mirror along the optical axis direction is 0.04″ and the maximum angular displacement vertical to optical axis is 0.032″. After the design and installation of vibration isolator, the maximum angular displacement of the secondary mirror is 0.011″, the decay rate of root mean square value of the angular displacement is more than 50% and the maximum is 96.78%. The whole satellite was suspended to simulate the boundary condition on orbit; the imaging experiment results show that the image motion caused by the flywheel micro vibrationis less than 0.1 pixel after installing the vibration isolator.

  3. Stochastic many-body perturbation theory for anharmonic molecular vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Hermes, Matthew R. [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States); Hirata, So, E-mail: sohirata@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States); CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan)

    2014-08-28

    A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value of a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm{sup −1} and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects.

  4. [Study on crystal growth and vibrational spectra of Yb(x) : KY(1-x) (WO4)2].

    Science.gov (United States)

    Liu, Jing-He; Zhang, Ying; Zhang, Li-Jie; Zeng, Fan-Ming; Wang, Cheng-Wei; Zhang, Xue-Jian

    2008-02-01

    Yb(x) : KY(1-x)W (x = 0.05)and KYbW crystals were grown by TSSG method. Both of the structure and spectral properties were compared. The condition for the crystal growth is: the rotation rate 10-15 r x min(-1), the pulling speed 1-2 d(-1), the growing period 10-15 d, cooling growing speed 0.05-0.1 degrees C x h(-1), and the cooling speed 20 degrees C x h(-1). X-ray powder diffraction analysis was performed for the crystal powder. They belong to beta-KYW structure with low thermal phase. The cell parameters of the two crystals were calculated, and they are respectively a1 = 1.063 nm, b1 = 1.034 nm, c1 = 0.755 nm, beta1 = 130.75 degrees, Z1 = 4 and a2 = 1.061 nm, b2 = 1.029 nm, c2 = 0.749 nm, beta2 = 130.65 degrees and Z2 = 4. The infrared spectrum and Raman spectrum of crystal were measured. The sample of Yb(x) : KY(1-x) W (x = 0.05) had stronger infrared absorption peaks at 925, 891, 840, 777 and 749 cm(-1), which were caused by stretching vibration. The sample of KYW had stronger infrared absorption peaks at 484 and 437 cm(-1) caused by bending vibration. The vibration modes were analysed and vibrational frequencies of vibratory activity was assigned. The two crystals had strong Raman activity. The vibration of WOOW and WOW exists from 200 to 1000 cm(-1).

  5. Fast Bayesian approach for modal identification using forced vibration data considering the ambient effect

    Science.gov (United States)

    Ni, Yan-Chun; Zhang, Feng-Liang

    2018-05-01

    Modal identification based on vibration response measured from real structures is becoming more popular, especially after benefiting from the great improvement of the measurement technology. The results are reliable to estimate the dynamic performance, which fits the increasing requirement of different design configurations of the new structures. However, the high-quality vibration data collection technology calls for a more accurate modal identification method to improve the accuracy of the results. Through the whole measurement process of dynamic testing, there are many aspects that will cause the rise of uncertainty, such as measurement noise, alignment error and modeling error, since the test conditions are not directly controlled. Depending on these demands, a Bayesian statistical approach is developed in this work to estimate the modal parameters using the forced vibration response of structures, simultaneously considering the effect of the ambient vibration. This method makes use of the Fast Fourier Transform (FFT) of the data in a selected frequency band to identify the modal parameters of the mode dominating this frequency band and estimate the remaining uncertainty of the parameters correspondingly. In the existing modal identification methods for forced vibration, it is generally assumed that the forced vibration response dominates the measurement data and the influence of the ambient vibration response is ignored. However, ambient vibration will cause modeling error and affect the accuracy of the identified results. The influence is shown in the spectra as some phenomena that are difficult to explain and irrelevant to the mode to be identified. These issues all mean that careful choice of assumptions in the identification model and fundamental formulation to account for uncertainty are necessary. During the calculation, computational difficulties associated with calculating the posterior statistics are addressed. Finally, a fast computational algorithm

  6. Vibrational, electronic and quantum chemical studies of 1,2,4-benzenetricarboxylic-1,2-anhydride.

    Science.gov (United States)

    Arjunan, V; Raj, Arushma; Subramanian, S; Mohan, S

    2013-06-01

    The FTIR and FT-Raman spectra of 1,2,4-benzenetricarboxylic-1,2-anhydride (BTCA) have been recorded in the range 4000-400 and 4000-100 cm(-1), respectively. The complete vibrational assignments and analysis of BTCA have been performed. More support on the experimental findings was added from the quantum chemical studies performed with DFT (B3LYP, MP2, B3PW91) method using 6-311++G(**), 6-31G(**) and cc-pVTZ basis sets. The structural parameters, energies, thermodynamic parameters, vibrational frequencies and the NBO charges of BTCA were determined by the DFT method. The (1)H and (13)C isotropic chemical shifts (δ ppm) of BTCA with respect to TMS were also calculated using the gauge independent atomic orbital (GIAO) method and compared with the experimental data. The delocalization energies of different types of interactions were determined. Copyright © 2013 Elsevier B.V. All rights reserved.

  7. The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates

    International Nuclear Information System (INIS)

    Plattner, Nuria; Meuwly, Markus

    2014-01-01

    Vibrational frequency shifts of H 2 in clathrate hydrates are important to understand the properties and elucidate details of the clathrate structure. Experimental spectra of H 2 in clathrate hydrates have been measured for different clathrate compositions, temperatures, and pressures. In order to establish reliable relationships between the clathrate structure, dynamics, and observed frequencies, calculations of vibrational frequency shifts in different clathrate environments are required. In this study, a combination of classical molecular dynamics simulations, electronic structure calculations, and quantum dynamical simulation is used to calculate relative vibrational frequencies of H 2 in clathrate hydrates. This approach allows us to assess dynamical effects and simulate the change of vibrational frequencies with temperature and pressure. The frequency distributions of the H 2 vibrations in the different clathrate cage types agree favorably with experiment. Also, the simulations demonstrate that H 2 in the 5 12 cage is more sensitive to the details of the environment and to quantum dynamical effects, in particular when the cage is doubly occupied. We show that for the 5 12 cage quantum effects lead to frequency increases and double occupation is unlikely. This is different for the 5 12 6 4 cages for which higher occupation numbers than one H 2 per cage are likely

  8. Vibrations of rotating machinery

    CERN Document Server

    Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick

    2017-01-01

    This book opens with an explanation of the vibrations of a single degree-of-freedom (dof) system for all beginners. Subsequently, vibration analysis of multi-dof systems is explained by modal analysis. Mode synthesis modeling is then introduced for system reduction, which aids understanding in a simplified manner of how complicated rotors behave. Rotor balancing techniques are offered for rigid and flexible rotors through several examples. Consideration of gyroscopic influences on the rotordynamics is then provided and vibration evaluation of a rotor-bearing system is emphasized in terms of forward and backward whirl rotor motions through eigenvalue (natural frequency and damping ratio) analysis. In addition to these rotordynamics concerning rotating shaft vibration measured in a stationary reference frame, blade vibrations are analyzed with Coriolis forces expressed in a rotating reference frame. Other phenomena that may be assessed in stationary and rotating reference frames include stability characteristic...

  9. Threshold photoelectron spectroscopy of unstable N-containing compounds: Resolution of ΔK subbands in HNCO+ and vibrational resolution in NCO+

    International Nuclear Information System (INIS)

    Holzmeier, Fabian; Lang, Melanie; Fischer, Ingo; Tang, Xiaofeng; Cunha de Miranda, Barbara; Romanzin, Claire; Alcaraz, Christian; Hemberger, Patrick

    2015-01-01

    The threshold photoelectron spectra (TPES) of two unstable nitrogen-containing species, HNCO and NCO, were recorded utilizing vacuum ultraviolet synchrotron radiation. Both are intermediates in combustion processes and play a role in the removal of nitrogen oxides from exhaust gases. The rovibronic structure of the first band in the TPES of HNCO + was analyzed within the framework of an orbital ionization model, and the resolved structure of the origin band was assigned to ΔK subbands. An ionization energy of 11.602 ± 0.005 eV was determined and the vibrational structure of the cationic ground state was analyzed by a Franck-Condon fit. Low lying electronically excited states of HNCO + were also observed. In a second series of experiments, the NCO radical was generated by flash pyrolysis from chlorine isocyanate. The ionization energy to the X + 3 Σ − ground state was determined to be 11.76 ± 0.02 eV, while for the a +1 Δ state, a value of 12.93 ± 0.02 eV was obtained. Vibrational structure was observed for both states, and bands were assigned by Franck-Condon simulations

  10. Urban vibrations

    DEFF Research Database (Denmark)

    Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen

    2012-01-01

    In   this   paper   we   describe   a   field   study   conducted   with   a   wearable   vibration   belt   where   we   test   to   determine   the   vibration   intensity   sensitivity   ranges   on   a   large   diverse   group   of   participants   with   evenly   distributed  ages  and...

  11. Surface vibrational spectroscopy

    International Nuclear Information System (INIS)

    Erskine, J.L.

    1984-01-01

    A brief review of recent studies which combine measurements of surface vibrational energies with lattice dynamical calculations is presented. These results suggest that surface vibrational spectroscopy offers interesting prospects for use as a molecular-level probe of surface geometry, adsorbate bond distances and molecular orientations

  12. Coherent vibrational dynamics

    CERN Document Server

    Lanzani, Guglielmo; De Silvestri, Sandro

    2007-01-01

    Vibrational spectroscopy is a powerful investigation tool for a wide class of materials covering diverse areas in physics, chemistry and biology. The continuous development in the laser field regarding ultrashort pulse generation has led to the possibility of producing light pulses that can follow vibrational motion coupled to the electronic transitions in molecules and solids in real time. Aimed at researchers and graduate students using vibrational spectroscopy, this book provides both introductory chapters as well as more advanced contents reporting on recent progress. It also provides a good starting point for scientists seeking a sound introduction to ultrafast optics and spectroscopic techniques.

  13. Nonlinear convergence active vibration absorber for single and multiple frequency vibration control

    Science.gov (United States)

    Wang, Xi; Yang, Bintang; Guo, Shufeng; Zhao, Wenqiang

    2017-12-01

    This paper presents a nonlinear convergence algorithm for active dynamic undamped vibration absorber (ADUVA). The damping of absorber is ignored in this algorithm to strengthen the vibration suppressing effect and simplify the algorithm at the same time. The simulation and experimental results indicate that this nonlinear convergence ADUVA can help significantly suppress vibration caused by excitation of both single and multiple frequency. The proposed nonlinear algorithm is composed of equivalent dynamic modeling equations and frequency estimator. Both the single and multiple frequency ADUVA are mathematically imitated by the same mechanical structure with a mass body and a voice coil motor (VCM). The nonlinear convergence estimator is applied to simultaneously satisfy the requirements of fast convergence rate and small steady state frequency error, which are incompatible for linear convergence estimator. The convergence of the nonlinear algorithm is mathematically proofed, and its non-divergent characteristic is theoretically guaranteed. The vibration suppressing experiments demonstrate that the nonlinear ADUVA can accelerate the convergence rate of vibration suppressing and achieve more decrement of oscillation attenuation than the linear ADUVA.

  14. Vibration transducer calibration techniques

    Science.gov (United States)

    Brinkley, D. J.

    1980-09-01

    Techniques for the calibration of vibration transducers used in the Aeronautical Quality Assurance Directorate of the British Ministry of Defence are presented. Following a review of the types of measurements necessary in the calibration of vibration transducers, the performance requirements of vibration transducers, which can be used to measure acceleration, velocity or vibration amplitude, are discussed, with particular attention given to the piezoelectric accelerometer. Techniques for the accurate measurement of sinusoidal vibration amplitude in reference-grade transducers are then considered, including the use of a position sensitive photocell and the use of a Michelson laser interferometer. Means of comparing the output of working-grade accelerometers with that of previously calibrated reference-grade devices are then outlined, with attention given to a method employing a capacitance bridge technique and a method to be used at temperatures between -50 and 200 C. Automatic calibration procedures developed to speed up the calibration process are outlined, and future possible extensions of system software are indicated.

  15. Infrared and Raman spectra, DFT-calculations and spectral assignments of germacyclohexane

    Energy Technology Data Exchange (ETDEWEB)

    Aleksa, V., E-mail: valdemaras.aleksa@ff.vu.lt; Ozerenskis, D.; Pucetaite, M.; Sablinskas, V. [Faculty of Physics, Vilnius University, Sauletekio av. 9, block 3, Vilnius, LT-10222 (Lithuania); Cotter, C.; Guirgis, G. A. [Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424 (United States)

    2015-03-30

    Raman spectra of germacyclohexane in liquid and solid states were recorded and depolarization data obtained. Infrared absorption spectra of the vapor and liquid have been studied. The wavenumbers of the vibrational modes were derived in the harmonic and anharmonic approximation in B3LYP/ccpVTZ calculations. According to the calculations, germacyclohexane exists in the stable chair conformation, whereas a possible twist form should have more than 15 kJ·mol{sup -1} higher enthalpy of formation what makes this conformer experimentally not observable. The 27 A' and 21 A'' fundamentals were assigned on the basis of the calculations and infrared and Raman band intensities, contours of gas phase infrared spectral bands and Raman depolarization measurements. An average discrepancy of ca. 0.77 % was found between the observed and the calculated anharmonic wavenumbers for the 48 modes. Substitution of carbon atom with Ge atom in the cyclohexane ring is reasoning flattening of the ring.

  16. Dynamic Sequence Assignment.

    Science.gov (United States)

    1983-12-01

    D-136 548 DYNAMIIC SEQUENCE ASSIGNMENT(U) ADVANCED INFORMATION AND 1/2 DECISION SYSTEMS MOUNTAIN YIELW CA C A 0 REILLY ET AL. UNCLSSIIED DEC 83 AI/DS...I ADVANCED INFORMATION & DECISION SYSTEMS Mountain View. CA 94040 84 u ,53 V,..’. Unclassified _____ SCURITY CLASSIFICATION OF THIS PAGE REPORT...reviews some important heuristic algorithms developed for fas- ter solution of the sequence assignment problem. 3.1. DINAMIC MOGRAMUNIG FORMULATION FOR

  17. Whole-Body-Vibration Training and Balance in Recreational Athletes With Chronic Ankle Instability.

    Science.gov (United States)

    Sierra-Guzmán, Rafael; Jiménez-Diaz, Fernando; Ramírez, Carlos; Esteban, Paula; Abián-Vicén, Javier

    2018-04-01

      Deficits in the propioceptive system of the ankle contribute to chronic ankle instability (CAI). Recently, whole-body-vibration (WBV) training has been introduced as a preventive and rehabilitative tool.   To evaluate how a 6-week WBV training program on an unstable surface affected balance and body composition in recreational athletes with CAI.   Randomized controlled clinical trial.   Research laboratory.   Fifty recreational athletes with self-reported CAI were randomly assigned to a vibration (VIB), nonvibration (NVIB), or control group.   The VIB and NVIB groups performed unilateral balance training on a BOSU 3 times weekly for 6 weeks. The VIB group trained on a vibration platform, and the NVIB group trained on the floor.   We assessed balance using the Biodex Balance System and the Star Excursion Balance Test (SEBT). Body composition was measured by dual-energy x-ray absorptiometry.   After 6 weeks of training, improvements on the Biodex Balance System occurred only on the Overall Stability Index ( P = .01) and Anterior-Posterior Stability Index ( P = .03) in the VIB group. We observed better performance in the medial ( P = .008) and posterolateral ( P = .04) directions and composite score of the SEBT in the VIB group ( P = .01) and in the medial ( P Balance System, whereas the VIB and NVIB groups displayed better performance on the SEBT.

  18. Evaluation of damping estimates by automated Operational Modal Analysis for offshore wind turbine tower vibrations

    DEFF Research Database (Denmark)

    Bajrić, Anela; Høgsberg, Jan Becker; Rüdinger, Finn

    2018-01-01

    Reliable predictions of the lifetime of offshore wind turbine structures are influenced by the limited knowledge concerning the inherent level of damping during downtime. Error measures and an automated procedure for covariance driven Operational Modal Analysis (OMA) techniques has been proposed....... In order to obtain algorithmic independent answers, three identification techniques are compared: Eigensystem Realization Algorithm (ERA), covariance driven Stochastic Subspace Identification (COV-SSI) and the Enhanced Frequency Domain Decomposition (EFDD). Discrepancies between automated identification...... techniques are discussed and illustrated with respect to signal noise, measurement time, vibration amplitudes and stationarity of the ambient response. The best bias-variance error trade-off of damping estimates is obtained by the COV-SSI. The proposed automated procedure is validated by real vibration...

  19. VIBRATION ISOLATION SYSTEM PROBABILITY ANALYSIS

    Directory of Open Access Journals (Sweden)

    Smirnov Vladimir Alexandrovich

    2012-10-01

    Full Text Available The article deals with the probability analysis for a vibration isolation system of high-precision equipment, which is extremely sensitive to low-frequency oscillations even of submicron amplitude. The external sources of low-frequency vibrations may include the natural city background or internal low-frequency sources inside buildings (pedestrian activity, HVAC. Taking Gauss distribution into account, the author estimates the probability of the relative displacement of the isolated mass being still lower than the vibration criteria. This problem is being solved in the three dimensional space, evolved by the system parameters, including damping and natural frequency. According to this probability distribution, the chance of exceeding the vibration criteria for a vibration isolation system is evaluated. Optimal system parameters - damping and natural frequency - are being developed, thus the possibility of exceeding vibration criteria VC-E and VC-D is assumed to be less than 0.04.

  20. Vibration Theory, Vol. 3

    DEFF Research Database (Denmark)

    Nielsen, Søren R. K.

    The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 4th edition of this textbook on linear stochastic vibration th...... theory is unchanged in comparison to the 3rd edition. Only a few errors have been corrected.......The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 4th edition of this textbook on linear stochastic vibration...

  1. Vibrational mode frequencies of silica species in SiO2-H2O liquids and glasses from ab initio molecular dynamics.

    Science.gov (United States)

    Spiekermann, Georg; Steele-MacInnis, Matthew; Schmidt, Christian; Jahn, Sandro

    2012-04-21

    Vibrational spectroscopy techniques are commonly used to probe the atomic-scale structure of silica species in aqueous solution and hydrous silica glasses. However, unequivocal assignment of individual spectroscopic features to specific vibrational modes is challenging. In this contribution, we establish a connection between experimentally observed vibrational bands and ab initio molecular dynamics (MD) of silica species in solution and in hydrous silica glass. Using the mode-projection approach, we decompose the vibrations of silica species into subspectra resulting from several fundamental structural subunits: The SiO(4) tetrahedron of symmetry T(d), the bridging oxygen (BO) Si-O-Si of symmetry C(2v), the geminal oxygen O-Si-O of symmetry C(2v), the individual Si-OH stretching, and the specific ethane-like symmetric stretching contribution of the H(6)Si(2)O(7) dimer. This allows us to study relevant vibrations of these subunits in any degree of polymerization, from the Q(0) monomer up to the fully polymerized Q(4) tetrahedra. Demonstrating the potential of this approach for supplementing the interpretation of experimental spectra, we compare the calculated frequencies to those extracted from experimental Raman spectra of hydrous silica glasses and silica species in aqueous solution. We discuss observed features such as the double-peaked contribution of the Q(2) tetrahedral symmetric stretch, the individual Si-OH stretching vibrations, the origin of the experimentally observed band at 970 cm(-1) and the ethane-like vibrational contribution of the H(6)Si(2)O(7) dimer at 870 cm(-1).

  2. Effect of Temperature and Vibration on Electrical Connectors with Different Number of Contact Cores

    Directory of Open Access Journals (Sweden)

    Song W. L.

    2016-01-01

    Full Text Available In this paper, we presented the results from three related analysis performed by adopting the failure models, which provided an explanation of performance influencing factors caused by different number of contact cores, for the purpose of measuring the temperature change and deformation value, which were the factors causing contact failure. The failures were localized in contact parts of the connectors. Performed investigations included thermal analysis, modal analysis, harmonic response analysis and contact failure analysis. From the results of these simulations, related temperature and vibration analysis nephograms were got respectively. And the correctness of results of thermal analysis was verified by Fourier law. The research results of this paper provide a reference for thermal analysis and vibration analysis of electrical connectors, which is important for ensuring the reliability and safety of electrical connectors.

  3. Hot Ground Vibration Tests

    Data.gov (United States)

    National Aeronautics and Space Administration — Ground vibration tests or modal surveys are routinely conducted to support flutter analysis for subsonic and supersonic vehicles. However, vibration testing...

  4. Free vibration of functionally graded beams and frameworks using the dynamic stiffness method

    Science.gov (United States)

    Banerjee, J. R.; Ananthapuvirajah, A.

    2018-05-01

    The free vibration analysis of functionally graded beams (FGBs) and frameworks containing FGBs is carried out by applying the dynamic stiffness method and deriving the elements of the dynamic stiffness matrix in explicit algebraic form. The usually adopted rule that the material properties of the FGB vary continuously through the thickness according to a power law forms the fundamental basis of the governing differential equations of motion in free vibration. The differential equations are solved in closed analytical form when the free vibratory motion is harmonic. The dynamic stiffness matrix is then formulated by relating the amplitudes of forces to those of the displacements at the two ends of the beam. Next, the explicit algebraic expressions for the dynamic stiffness elements are derived with the help of symbolic computation. Finally the Wittrick-Williams algorithm is applied as solution technique to solve the free vibration problems of FGBs with uniform cross-section, stepped FGBs and frameworks consisting of FGBs. Some numerical results are validated against published results, but in the absence of published results for frameworks containing FGBs, consistency checks on the reliability of results are performed. The paper closes with discussion of results and conclusions.

  5. Low Cost Digital Vibration Meter.

    Science.gov (United States)

    Payne, W Vance; Geist, Jon

    2007-01-01

    This report describes the development of a low cost, digital Micro Electro Mechanical System (MEMS) vibration meter that reports an approximation to the RMS acceleration of the vibration to which the vibration meter is subjected. The major mechanical element of this vibration meter is a cantilever beam, which is on the order of 500 µm in length, with a piezoresistor deposited at its base. Vibration of the device in the plane perpendicular to the cantilever beam causes it to bend, which produces a measurable change in the resistance of a piezoresistor. These changes in resistance along with a unique signal-processing scheme are used to determine an approximation to the RMS acceleration sensed by the device.

  6. Soft Computing Approach to Evaluate and Predict Blast-Induced Ground Vibration

    Science.gov (United States)

    Khandelwal, Manoj

    2010-05-01

    the same excavation site, different predictors give different values of safe PPV vis-à-vis safe charge per delay. There is no uniformity in the predicted result by different predictors. All vibration predictor equations have their site specific constants. Therefore, they cannot be used in a generalized way with confidence and zero level of risk. To overcome on this aspect new soft computing tools like artificial neural network (ANN) has attracted because of its ability to learn from the pattern acquainted before. ANN has the ability to learn from patterns acquainted before. It is a highly interconnected network of a large number of processing elements called neurons in an architecture inspired by the brain. ANN can be massively parallel and hence said to exhibit parallel distributed processing. Once, the network has been trained, with sufficient number of sample data sets, it can make reliable and trustworthy predictions on the basis of its previous learning, about the output related to new input data set of similar pattern. This paper deals the application of ANN for the prediction of ground vibration by taking into consideration of maximum charge per delay and distance between blast face to monitoring point. To investigate the appropriateness of this approach, the predictions by ANN have been also compared with other vibration predictor equations.

  7. Proceedings of the international conference on nuclear power plant aging, availability factor and reliability analysis

    International Nuclear Information System (INIS)

    Goel, V.S.

    1985-01-01

    This book presents the papers given at a conference on nuclear power plant life extension. Topics considered at the conference included availability, accelerated aging techniques, the qualification of electrical equipment, probabilistic risk assessment, reactor maintenance, outages, reliability, computer-aided design, seismic effects, mechanical vibrations, fatigue monitoring, steam generators, and materials degradation by aging and embrittlement

  8. A systematic analysis of backbone amide assignments achieved via combinatorial selective labelling of amino acids

    Energy Technology Data Exchange (ETDEWEB)

    Jeremy Craven, C. [University of Sheffield, Department of Biotechnology and Molecular Biology (United Kingdom); Al-Owais, Moza; Parker, Martin J. [University of Leeds, Astbury Centre for Structural Molecular Biology, Institute of Molecular and Cellular Biology (United Kingdom)], E-mail: m.j.parker@leeds.ac.uk

    2007-06-15

    With the advent of high-yield cell-free expressions systems, many researchers are exploiting selective isotope labelling of amino acids to increase the efficiency and accuracy of the NMR assignment process. We developed recently a combinatorial selective labelling (CSL) method capable of yielding large numbers of residue-type and sequence-specific backbone amide assignments, which involves comparing cross-peak intensities in {sup 1}H-{sup 15}N HSQC and 2D {sup 1}H-{sup 15}N HNCO spectra collected for five samples containing different combinations of {sup 13}C- and {sup 15}N-labelled amino acids [Parker MJ, Aulton-Jones M, Hounslow A, Craven C J (2004) J Am Chem Soc 126:5020-5021]. In this paper we develop a robust method for establishing the reliability of these assignments. We have performed a detailed statistical analysis of the CSL data collected for a model system (the B1 domain of protein G from Streptococcus), developing a scoring method which allows the confidence in assignments to be assessed, and which enables the effects of overlap on assignment fidelity to be predicted. To further test the scoring method and also to assess the performance of CSL in relation to sample quality, we have applied the method to the CSL data collected for GFP in our previous study.

  9. On the neutron noise diagnostics of pressurized water reactor control rod vibrations II. Stochastic vibrations

    International Nuclear Information System (INIS)

    Pazsit, I.; Glockler, O.

    1984-01-01

    In an earlier publication, using the theory of neutron fluctuations induced by a vibrating control rod, a complete formal solution of rod vibration diagnostics based on neutron noise measurements was given in terms of Fourier-transformed neutron detector time signals. The suggested procedure was checked in numerical simulation tests where only periodic vibrations could be considered. The procedure and its numerical testing are elaborated for stochastic two-dimensional vibrations. A simple stochastic theory of two-dimensional flow-induced vibrations is given; then the diagnostic method is formulated in the stochastic case, that is, in terms of neutron detector auto- and crosspower spectra. A previously suggested approximate rod localization technique is also formulated in the stochastic case. Applicability of the methods is then investigated in numerical simulation tests, using the proposed model of stochastic two-dimensional vibrations when generating neutron detector spectra that simulate measured data

  10. General principles of vibrational spectroscopies

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Schoonheydt, R.A.

    2000-01-01

    Atoms in molecules and solids do not remain in fixed relative positions, but vibrate about some mean position. This vibrational motion is quantized and at room temperature, most of the molecules in a given sample are in their lowest vibrational state. Absorption of electromagnetic radiation with

  11. Wind Turbine Gearbox Condition Monitoring Round Robin Study - Vibration Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Sheng, S.

    2012-07-01

    The Gearbox Reliability Collaborative (GRC) at the National Wind Technology Center (NWTC) tested two identical gearboxes. One was tested on the NWTCs 2.5 MW dynamometer and the other was field tested in a turbine in a nearby wind plant. In the field, the test gearbox experienced two oil loss events that resulted in damage to its internal bearings and gears. Since the damage was not severe, the test gearbox was removed from the field and retested in the NWTCs dynamometer before it was disassembled. During the dynamometer retest, some vibration data along with testing condition information were collected. These data enabled NREL to launch a Wind Turbine Gearbox Condition Monitoring Round Robin project, as described in this report. The main objective of this project was to evaluate different vibration analysis algorithms used in wind turbine condition monitoring (CM) and find out whether the typical practices are effective. With involvement of both academic researchers and industrial partners, the project sets an example on providing cutting edge research results back to industry.

  12. Field vibration test of principal equipment of nuclear power plants

    Energy Technology Data Exchange (ETDEWEB)

    Shiraki, Kazuhiro; Fujita, Katsuhisa; Kajimura, Motohiko; Ikegami, Yasuhiko; Hanzawa, Katsumi; Sakai, Yoshiyuki; Kokubo, Eiji; Igarashi, Shigeru

    1984-09-01

    Japan is one of the most earthquake-stricken countries in the world, and demands for aseismic design have become severer recently. In a nuclear power plant in particular, consisting of a reactor vessel and other facilities dealing with a radioactive substance in some form or other, it is essential from the standpoint of safety to eliminate any possibility of radioactive hazards for the local public, and the employees at the plant as well, if these facilities are struck by an earthquake. This paper is related to the reactor vessel, reactor primary cooling equipment and piping system and important general piping as examples of important facilities of a nuclear power plant, and discusses vibration tests of an actual plant in the field from the standpoint of enhancing the aseismic safety of the Mitsubishi PWR nuclear power plant. Especially concerning vibration test technology, the effects in the evaluation of aseismic safety and its limits are studied to prove how it contributes to the enhancement of the reliability of aseismic design of nuclear power plants.

  13. Measurement of ground and nearby building vibration and noise induced by trains in a metro depot.

    Science.gov (United States)

    Zou, Chao; Wang, Yimin; Wang, Peng; Guo, Jixing

    2015-12-01

    Metro depots are where subway trains are parked and where maintenance is carried out. They usually occupy the largest ground areas in metro projects. Due to land utilization problems, Chinese cities have begun to develop over-track buildings above metro depots for people's life and work. The frequently moving trains, when going into and out of metro depots, can cause excessive vibration and noise to over-track buildings and adversely affect the living quality of the building occupants. Considering the current need of reliable experimental data for the construction of metro depots, field measurements of vibration and noise on the ground and inside a nearby 3-story building subjected to moving subway trains were conducted in a metro depot at Guangzhou, China. The amplitudes and frequency contents of velocity levels were quantified and compared. The composite A-weighted equivalent sound levels and maximum sound levels were captured. The predicted models for vibration and noise of metro depot were proposed based on existing models and verified. It was found that the vertical vibrations were significantly greater than the horizontal vibrations on the ground and inside the building near the testing line. While at the throat area, the horizontal vibrations near the curved track were remarkably greater than the vertical vibrations. The attenuation of the vibrations with frequencies above 50 Hz was larger than the ones below 50 Hz, and the frequencies of vibration transmitting to adjacent buildings were mainly within 10-50 Hz. The largest equivalent sound level generated in the throat area was smaller than the testing line one, but the instantaneous maximum sound level induced by wheels squeal, contact between wheels and rail joints as well as turnout was close to or even greater than the testing line one. The predicted models gave a first estimation for design and assessment of newly built metro depots. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Prediction and Control of Cutting Tool Vibration in Cnc Lathe with Anova and Ann

    Directory of Open Access Journals (Sweden)

    S. S. Abuthakeer

    2011-06-01

    Full Text Available Machining is a complex process in which many variables can deleterious the desired results. Among them, cutting tool vibration is the most critical phenomenon which influences dimensional precision of the components machined, functional behavior of the machine tools and life of the cutting tool. In a machining operation, the cutting tool vibrations are mainly influenced by cutting parameters like cutting speed, depth of cut and tool feed rate. In this work, the cutting tool vibrations are controlled using a damping pad made of Neoprene. Experiments were conducted in a CNC lathe where the tool holder is supported with and without damping pad. The cutting tool vibration signals were collected through a data acquisition system supported by LabVIEW software. To increase the buoyancy and reliability of the experiments, a full factorial experimental design was used. Experimental data collected were tested with analysis of variance (ANOVA to understand the influences of the cutting parameters. Empirical models have been developed using analysis of variance (ANOVA. Experimental studies and data analysis have been performed to validate the proposed damping system. Multilayer perceptron neural network model has been constructed with feed forward back-propagation algorithm using the acquired data. On the completion of the experimental test ANN is used to validate the results obtained and also to predict the behavior of the system under any cutting condition within the operating range. The onsite tests show that the proposed system reduces the vibration of cutting tool to a greater extend.

  15. Surface enhancement Raman scattering of tautomeric thiobarbituric acid. Natural bond orbitals and B3LYP/6-311+G (d, p) assignments of the Fourier Infrared and Fourier Raman Spectra.

    Science.gov (United States)

    Soto, C A Téllez; Ramos, J M; Costa Junior, A C; Vieira, Laís S; Rangel, João L; Raniero, L; Fávero, Priscila P; Lemma, Tibebe; Ondar, Grisset F; Versiane, Otavio; Martin, A A

    2013-10-01

    Surface enhancement Raman scattering (SERS) of two tautomer of thiobarbituric acid was obtained using silver and gold nanoparticles. Large band enhancement in the region of the ν(C=S), ν(C=C), δ(CH2), and δ(CNH) vibrational modes was found. Natural bond analysis of the tautomer species revealed expressive values of charge transfer, principally from lone pair electron orbitals of the S, N, and O atoms. Complete vibrational assignment was done for the two tautomers using the B3LYP/6-311+G (d, p) procedure, band deconvolution analysis, and from a rigorous interpretation of the normal modes matrix. The calculated spectra agree well with the experimental ones. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. Chain length effects on the vibrational structure and molecular interactions in the liquid normal alkyl alcohols

    Science.gov (United States)

    Kiefer, Johannes; Wagenfeld, Sabine; Kerlé, Daniela

    2018-01-01

    Alkyl alcohols are widely used in academia, industry, and our everyday lives, e.g. as cleaning agents and solvents. Vibrational spectroscopy is commonly used to identify and quantify these compounds, but also to study their structure and behavior. However, a comprehensive investigation and comparison of all normal alkanols that are liquid at room temperature has not been performed, surprisingly. This study aims at bridging this gap with a combined experimental and computational effort. For this purpose, the alkyl alcohols from methanol to undecan-1-ol have been analyzed using infrared and Raman spectroscopy. A detailed assignment of the individual peaks is presented and the influence of the alkyl chain length on the hydrogen bonding network is discussed. A 2D vibrational mapping allows a straightforward visualization of the effects. The conclusions drawn from the experimental data are backed up with results from Monte Carlo simulations using the simulation package Cassandra.

  17. Hormonal and neuromuscular responses to mechanical vibration applied to upper extremity muscles.

    Directory of Open Access Journals (Sweden)

    Riccardo Di Giminiani

    Full Text Available OBJECTIVE: To investigate the acute residual hormonal and neuromuscular responses exhibited following a single session of mechanical vibration applied to the upper extremities among different acceleration loads. METHODS: Thirty male students were randomly assigned to a high vibration group (HVG, a low vibration group (LVG, or a control group (CG. A randomized double-blind, controlled-parallel study design was employed. The measurements and interventions were performed at the Laboratory of Biomechanics of the University of L'Aquila. The HVG and LVG participants were exposed to a series of 20 trials ×10 s of synchronous whole-body vibration (WBV with a 10-s pause between each trial and a 4-min pause after the first 10 trials. The CG participants assumed an isometric push-up position without WBV. The outcome measures were growth hormone (GH, testosterone, maximal voluntary isometric contraction during bench-press, maximal voluntary isometric contraction during handgrip, and electromyography root-mean-square (EMGrms muscle activity (pectoralis major [PM], triceps brachii [TB], anterior deltoid [DE], and flexor carpi radialis [FCR]. RESULTS: The GH increased significantly over time only in the HVG (P = 0.003. Additionally, the testosterone levels changed significantly over time in the LVG (P = 0.011 and the HVG (P = 0.001. MVC during bench press decreased significantly in the LVG (P = 0.001 and the HVG (P = 0.002. In the HVG, the EMGrms decreased significantly in the TB (P = 0.006 muscle. In the LVG, the EMGrms decreased significantly in the DE (P = 0.009 and FCR (P = 0.006 muscles. CONCLUSION: Synchronous WBV acutely increased GH and testosterone serum concentrations and decreased the MVC and their respective maximal EMGrms activities, which indicated a possible central fatigue effect. Interestingly, only the GH response was dependent on the acceleration with respect to the subjects' responsiveness.

  18. Hormonal and Neuromuscular Responses to Mechanical Vibration Applied to Upper Extremity Muscles

    Science.gov (United States)

    Di Giminiani, Riccardo; Fabiani, Leila; Baldini, Giuliano; Cardelli, Giovanni; Giovannelli, Aldo; Tihanyi, Jozsef

    2014-01-01

    Objective To investigate the acute residual hormonal and neuromuscular responses exhibited following a single session of mechanical vibration applied to the upper extremities among different acceleration loads. Methods Thirty male students were randomly assigned to a high vibration group (HVG), a low vibration group (LVG), or a control group (CG). A randomized double-blind, controlled-parallel study design was employed. The measurements and interventions were performed at the Laboratory of Biomechanics of the University of L'Aquila. The HVG and LVG participants were exposed to a series of 20 trials ×10 s of synchronous whole-body vibration (WBV) with a 10-s pause between each trial and a 4-min pause after the first 10 trials. The CG participants assumed an isometric push-up position without WBV. The outcome measures were growth hormone (GH), testosterone, maximal voluntary isometric contraction during bench-press, maximal voluntary isometric contraction during handgrip, and electromyography root-mean-square (EMGrms) muscle activity (pectoralis major [PM], triceps brachii [TB], anterior deltoid [DE], and flexor carpi radialis [FCR]). Results The GH increased significantly over time only in the HVG (P = 0.003). Additionally, the testosterone levels changed significantly over time in the LVG (P = 0.011) and the HVG (P = 0.001). MVC during bench press decreased significantly in the LVG (P = 0.001) and the HVG (P = 0.002). In the HVG, the EMGrms decreased significantly in the TB (P = 0.006) muscle. In the LVG, the EMGrms decreased significantly in the DE (P = 0.009) and FCR (P = 0.006) muscles. Conclusion Synchronous WBV acutely increased GH and testosterone serum concentrations and decreased the MVC and their respective maximal EMGrms activities, which indicated a possible central fatigue effect. Interestingly, only the GH response was dependent on the acceleration with respect to the subjects' responsiveness. PMID:25368995

  19. Conformational, structural, vibrational, electronic and quantum chemical investigations of cis-2-methoxycinnamic acid

    Science.gov (United States)

    Arjunan, V.; Anitha, R.; Marchewka, M. K.; Mohan, S.; Yang, Haifeng

    2015-01-01

    The Fourier transform infrared (FTIR) and FT-Raman spectra of cis-2-methoxycinnamic acid have been measured in the range 4000-400 and 4000-100 cm-1, respectively. Complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the observed FTIR and FT-Raman data. The geometry was optimised without any symmetry constrains using the DFT/B3LYP method utilising 6-311++G∗∗ and cc-pVTZ basis sets. The thermodynamic stability and chemical reactivity descriptors of the molecule have been determined. The exact environment of C and H of the molecule has been analysed by NMR spectroscopies through 1H and 13C NMR chemical shifts of the molecule. The energies of the frontier molecular orbitals have also been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. The vibrational frequencies which were determined experimentally are compared with those obtained theoretically from density functional theory (DFT) gradient calculations employing the B3LYP/6-311++G∗∗ and cc-pVTZ methods.

  20. Comparative studies on molecular structure, vibrational spectra and hyperpolarizabilies of NLO chromophore Ethyl 4-Dimethylaminobenzoate

    Science.gov (United States)

    Amalanathan, M.; Jasmine, G. Femina; Roy, S. Dawn Dharma

    2017-08-01

    The molecular structure, vibrational spectra and polarizabilities of Ethyl 4-Dimethylaminobenzoate (EDAB) was investigated by density functional theory employing Becke's three parameter hybrid exchange functional with Lee-Yang-Parr (B3LYP) co-relational functional involving 6-311++G(d,p) basis set and compared with some other levels. A detailed interpretation of the IR and Raman spectra of EDBA have been reported and analyzed. Complete vibrational assignments of the vibrational modes have been done on the basis of the potential energy distribution (TED) using VEDA software. The molecular electrostatic potential mapped onto total density surface has been obtained. A study on the electronic properties, such as absorption wavelength, and frontier molecular orbitals energy, was performed using DFT approach. The stability of the molecule arising from hyper conjugative interactions and accompanying charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The natural and Mulliken charge also calculated and compared with different level of calculation. The dipole moment, polarizability and first, second order hyperpolarizabilities of the title molecule were calculated and compared with the experimental values. The energy gap between frontier orbitals has been used along with electric moments and first order hyperpolarizability, to understand the non linear optical (NLO) activity of the molecule. The NLO activity of molecule was confirmed by SHG analysis.

  1. Structural and vibrational properties of oxcarbazepine, an anticonvulsant substance by using DFT and SCRF calculations

    Science.gov (United States)

    Ladetto, María F.; Márquez, María B.; Brandán, Silvia A.

    2014-10-01

    In this work, we have presented a structural and vibrational study on the properties in gas and aqueous solution phases of oxcarbazepine, a polymorphic anticonvulsant substance, combining the available IR and Raman spectra with Density Functional Theory (DFT) calculations. Two stable C1 and C2 forms for the title molecule were theoretically determined by using the hybrid B3LYP/6-31G* method. The integral equation formalism variant polarised continuum model (IEFPCM) was employed to study the solvent effects by means of the self-consistent reaction field (SCRF) method. The vibrational spectra for the two forms of oxcarbazepine were completely assigned together with two dimeric species also observed in the solid phase. The presences of the two C1 and C2 forms together with the two dimeric species are supported by the IR and Raman bands between 1424 and 125 cm-1. Here, the properties for both forms of oxcarbazepine are compared and discussed.

  2. Molecular conformational analysis, vibrational spectra and normal coordinate analysis of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene based on density functional theory calculations.

    Science.gov (United States)

    Joseph, Lynnette; Sajan, D; Chaitanya, K; Isac, Jayakumary

    2014-03-25

    The conformational behavior and structural stability of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene (TDBE) were investigated by using density functional theory (DFT) method with the B3LYP/6-311++G(d,p) basis set combination. The vibrational wavenumbers of TDBE were computed at DFT level and complete vibrational assignments were made on the basis of normal coordinate analysis calculations (NCA). The DFT force field transformed to natural internal coordinates was corrected by a well-established set of scale factors that were found to be transferable to the title compound. The infrared and Raman spectra were also predicted from the calculated intensities. The observed Fourier transform infrared (FTIR) and Fourier transform (FT) Raman vibrational wavenumbers were analyzed and compared with the theoretically predicted vibrational spectra. Comparison of the simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential surfaces (ESP). Copyright © 2013 Elsevier B.V. All rights reserved.

  3. Non-symmetric forms of non-linear vibrations of flexible cylindrical panels and plates under longitudinal load and additive white noise

    Science.gov (United States)

    Krysko, V. A.; Awrejcewicz, J.; Krylova, E. Yu; Papkova, I. V.; Krysko, A. V.

    2018-06-01

    Parametric non-linear vibrations of flexible cylindrical panels subjected to additive white noise are studied. The governing Marguerre equations are investigated using the finite difference method (FDM) of the second-order accuracy and the Runge-Kutta method. The considered mechanical structural member is treated as a system of many/infinite number of degrees of freedom (DoF). The dependence of chaotic vibrations on the number of DoFs is investigated. Reliability of results is guaranteed by comparing the results obtained using two qualitatively different methods to reduce the problem of PDEs (partial differential equations) to ODEs (ordinary differential equations), i.e. the Faedo-Galerkin method in higher approximations and the 4th and 6th order FDM. The Cauchy problem obtained by the FDM is eventually solved using the 4th-order Runge-Kutta methods. The numerical experiment yielded, for a certain set of parameters, the non-symmetric vibration modes/forms with and without white noise. In particular, it has been illustrated and discussed that action of white noise on chaotic vibrations implies quasi-periodicity, whereas the previously non-symmetric vibration modes are closer to symmetric ones.

  4. A Survey on the Reliability of Power Electronics in Electro-Mobility Applications

    DEFF Research Database (Denmark)

    Gadalla, Brwene Salah Abdelkarim; Schaltz, Erik; Blaabjerg, Frede

    2015-01-01

    Reliability is an important issue in the field of power electronics since most of the electrical energy is today processed by power electronics. In most of the electro-mobility applications, e.g. electric and hybridelectric vehicles, power electronic are commonly used in very harsh environment...... and extending the service lifetime as well. Research within power electronics is of high interest as it has an important impact in the industry of the electro-mobility applications. According to the aforementioned explanations, this paper will provide an overview of the common factors (thermal cycles, power...... cycles, vibrations, voltage stress and current ripple stress) affecting the reliability of power electronics in electromobility applications. Also, the researchers perspective is summarized from 2001 to 2015....

  5. The Efficacy of Anti-vibration Gloves

    Science.gov (United States)

    Hewitt, Sue; Dong, Ren; McDowell, Tom; Welcome, Daniel

    2016-01-01

    Anyone seeking to control the risks from vibration transmitted to the hands and arms may contemplate the use of anti-vibration gloves. To make an informed decision about any type of personal protective equipment, it is necessary to have performance data that allow the degree of protection to be estimated. The information provided with an anti-vibration glove may not be easy to understand without some background knowledge of how gloves are tested and does not provide any clear route for estimating likely protection. Some of the factors that influence the potential efficacy of an anti-vibration glove include how risks from hand–arm vibration exposure are assessed, how the standard test for a glove is carried out, the frequency range and direction of the vibration for which protection is sought, how much hand contact force or pressure is applied and the physical limitations due to glove material and construction. This paper reviews some of the background issues that are useful for potential purchasers of anti-vibration gloves. Ultimately, anti-vibration gloves cannot be relied on to provide sufficient and consistent protection to the wearer and before their use is contemplated all other available means of vibration control ought first to be implemented. PMID:27582615

  6. An inverse method for the identification of a distributed random excitation acting on a vibrating structure. Theory

    International Nuclear Information System (INIS)

    Granger, S.; Perotin, L.

    1997-01-01

    Maintaining the PWR components under reliable operating conditions requires a complex design to prevent various damaging processes, including fatigue and wear problems due to flow-induced vibration. In many practical situations, it is difficult, if not impossible, to perform direct measurements or calculations of the external forces acting on vibrating structures. Instead, vibrational responses can often be conveniently measured. This paper presents an inverse method for estimating a distributed random excitation from the measurement of the structural response at a number of discrete points. This paper is devoted to the presentation of the theoretical development. The force identification method is based on a modal model for the structure and a spatial orthonormal decomposition of the excitation field. The estimation of the Fourier coefficients of this orthonormal expansion is presented. As this problem turns out to be ill-posed, a regularization process is introduced. The minimization problem associated to this process is then formulated and its solutions is developed. (author)

  7. Vibrations on board and health effects

    DEFF Research Database (Denmark)

    Jensen, Anker; Jepsen, Jørgen Riis

    2014-01-01

    There is only limited knowledge of the exposure to vibrations of ships’ crews and their risk of vibration-induced health effects. Exposure to hand-arm vibrations from the use of vibrating tools at sea does not differ from that in the land-based trades. However, in contrast to most other work places...... of the health consequences of whole body vibrations in land-transportation, such exposure at sea may affect ships’ passengers and crews. While the relation of back disorders to high levels of whole body vibration has been demonstrated among e.g. tractor drivers, there are no reported epidemiological evidence...... for such relation among seafarers except for fishermen, who, however, are also exposed to additional recognised physical risk factors at work. The assessment and reduction of vibrations by naval architects relates to technical implications of this impact for the ships’ construction, but has limited value...

  8. Attitudes Toward, and Use of, Vibrators in China.

    Science.gov (United States)

    Jing, Shen; Lay, Alixe; Weis, Laura; Furnham, Adrian

    2018-01-02

    The current study examined the relationship between traditional masculine traits and attitudes toward vibrator use, actual vibrator use, and frequency of vibrator use in China. In all, 235 Chinese females aged between 16 and 58 years completed a questionnaire regarding attitudes toward, and personal use of, vibrators. The results showed a positive association between masculine traits and attitudes toward women's vibrator use, attitudes toward vibrator use and actual vibrator use, as well as frequency of vibrator use. The findings revealed an indirect path in which masculinity influences actual and frequency of vibrator use through attitudes toward women's vibrator use. Limitations and implications of the study are discussed.

  9. Optimized Vibration Chamber for Landslide Sensory and Alarm System

    Science.gov (United States)

    Ismail, Eliza Sabira Binti; Hadi Habaebi, Mohamed; Daoud, Jamal I.; Rafiqul Islam, Md

    2017-11-01

    Landslide is one of natural hazard that is not unfamiliar disaster in Malaysia. Malaysia has experienced this disaster many times since 1969. This natural hazard has become a major research concern for Malaysian government when many people were injured badly and even had been killed. Many previous research works published in the open literature aimed at designing a system that could detect landslide in early stage before the landslide becomes catastrophic. This paper presents the early works on a major work-in-progress landslide early warning system for Malaysian environment. The aim of this system is to develop the most efficiently reliable cost-effective system in which slight earth movements are monitored continuously. The challenge this work aims at is to work with a low budget system that produces efficient performance. Hence, the material used is off-the-shelf. Early design optimization results of the vibration sensor used is quite promising detecting the slightest faint tremors, which are amplified using the best vibration chamber available. It is shown that the choice of proper pipe length and diameter dimensions in combination to a gravel to exaggerate the produced higher sensitivity level noise of 5 dB.

  10. Two-dimensional vibrational-electronic spectroscopy

    Science.gov (United States)

    Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira

    2015-10-01

    Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([FeIII(CN)6]3- dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5FeIICNRuIII(NH3)5]- dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.

  11. Two-dimensional vibrational-electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira, E-mail: mkhalil@uw.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)

    2015-10-21

    Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (ν{sub CN}) and either a ligand-to-metal charge transfer transition ([Fe{sup III}(CN){sub 6}]{sup 3−} dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN){sub 5}Fe{sup II}CNRu{sup III}(NH{sub 3}){sub 5}]{sup −} dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific ν{sub CN} modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a

  12. System Detects Vibrational Instabilities

    Science.gov (United States)

    Bozeman, Richard J., Jr.

    1990-01-01

    Sustained vibrations at two critical frequencies trigger diagnostic response or shutdown. Vibration-analyzing electronic system detects instabilities of combustion in rocket engine. Controls pulse-mode firing of engine and identifies vibrations above threshold amplitude at 5.9 and/or 12kHz. Adapted to other detection and/or control schemes involving simultaneous real-time detection of signals above or below preset amplitudes at two or more specified frequencies. Potential applications include rotating machinery and encoders and decoders in security systems.

  13. Transfer vibration through spine

    OpenAIRE

    Benyovszky, Adam

    2012-01-01

    Transfer Vibration through Spine Abstract In the bachelor project we deal with the topic of Transfer Vibration through Spine. The problem of TVS is trying to be solved by the critical review method. We analyse some diagnostic methods and methods of treatment based on this principle. Close attention is paid to the method of Transfer Vibration through Spine that is being currently solved by The Research Institute of Thermomechanics in The Czech Academy of Sciences in cooperation with Faculty of...

  14. Vibration isolation of a ship's seat

    Science.gov (United States)

    Agahi, Maryam; Samani, Mehrdad B.; Behzad, Mehdi

    2005-05-01

    Different factors cause vibration. These vibrations make the voyages difficult and reduce comfort and convenience in passenger ships. In this paper, the creating factors of vibration have discussed first, then with mathematical modelling it will be attempted to minimize the vibration over the crew's seat. The modelling consists of a system with two degrees of freedom and by using vibrationisolation with passive method of Tuned Mass Damper (TMD) it will be tried to reduce the vibration over personnel. Moreover using active control systems will be compared with passive systems.

  15. SimPhospho: a software tool enabling confident phosphosite assignment.

    Science.gov (United States)

    Suni, Veronika; Suomi, Tomi; Tsubosaka, Tomoya; Imanishi, Susumu Y; Elo, Laura L; Corthals, Garry L

    2018-03-27

    Mass spectrometry combined with enrichment strategies for phosphorylated peptides has been successfully employed for two decades to identify sites of phosphorylation. However, unambiguous phosphosite assignment is considered challenging. Given that site-specific phosphorylation events function as different molecular switches, validation of phosphorylation sites is of utmost importance. In our earlier study we developed a method based on simulated phosphopeptide spectral libraries, which enables highly sensitive and accurate phosphosite assignments. To promote more widespread use of this method, we here introduce a software implementation with improved usability and performance. We present SimPhospho, a fast and user-friendly tool for accurate simulation of phosphopeptide tandem mass spectra. Simulated phosphopeptide spectral libraries are used to validate and supplement database search results, with a goal to improve reliable phosphoproteome identification and reporting. The presented program can be easily used together with the Trans-Proteomic Pipeline and integrated in a phosphoproteomics data analysis workflow. SimPhospho is available for Windows, Linux and Mac operating systems at https://sourceforge.net/projects/simphospho/. It is open source and implemented in C ++. A user's manual with detailed description of data analysis using SimPhospho as well as test data can be found as supplementary material of this article. Supplementary data are available at https://www.btk.fi/research/ computational-biomedicine/software/.

  16. Construction of a Vibration Monitoring System for HANARO's Rotating Machinery and Analysis of Pump Vibration Signals

    International Nuclear Information System (INIS)

    Ryu, Jeong Soo; Yoon, Doo Byung

    2005-01-01

    HANARO is an open-tank-in-pool type research reactor with a thermal power of 30MW. In order to remove the heat generated by the reactor core and the reflector vessel, primary cooling pumps and reflector cooling pumps circulate coolant. These pumps are installed at the RCI(Reactor Concrete Island) which is covered by heavy concrete hatches. For the prevention of an abnormal operation of these pumps in the RCI, it is necessary to construct a vibration monitoring system that provides an alarm signal to the reactor control room when the rotating speed or the vibration level exceeds the allowable limit. The first objective of this work is to construct a vibration monitoring system for HANARO's rotating machinery. The second objective is to verify the possibility of condition monitoring of the rotating machinery. To construct a vibration monitoring system, as a first step, the standards and references related to the vibration monitoring system were investigated. In addition, to determine the number and the location of sensors that can effectively characterize the overall vibration of a pump, the vibration of the primary cooling pumps and the reflector cooling pumps were measured. Based on these results, detailed construction plans for the vibration monitoring system for HANARO were established. Then, in accordance with the construction plans, the vibration monitoring system for HANARO's rotating machinery was manufactured and installed at HANARO. To achieve the second objective, FFT analysis and bearing fault detection of the measured vibration signals were performed. The analysis results demonstrate that the accelerometers mounted at the bearing locations of the pumps can effectively monitor the pump condition

  17. NIF Ambient Vibration Measurements

    International Nuclear Information System (INIS)

    Noble, C.R.; Hoehler, M.S.; S.C. Sommer

    1999-01-01

    LLNL has an ongoing research and development project that includes developing data acquisition systems with remote wireless communication for monitoring the vibrations of large civil engineering structures. In order to establish the capability of performing remote sensing over an extended period of time, the researchers needed to apply this technology to a real structure. The construction of the National Ignition Facility provided an opportunity to test the data acquisition system on a large structure to monitor whether the facility is remaining within the strict ambient vibration guidelines. This document will briefly discuss the NIF ambient vibration requirements and summarize the vibration measurements performed during the Spring and Summer of 1999. In addition, a brief description of the sensors and the data acquisition systems will be provided in Appendix B

  18. The influence of mechanical vibration on local and central balance control.

    Science.gov (United States)

    Ehsani, Hossein; Mohler, Jane; Marlinski, Vladimir; Rashedi, Ehsan; Toosizadeh, Nima

    2018-04-11

    Fall prevention has an indispensable role in enhancing life expectancy and quality of life among older adults. The first step to prevent falls is to devise reliable methods to identify individuals at high fall risk. The purpose of the current study was to assess alterations in local postural muscle and central sensory balance control mechanisms due to low-frequency externally applied vibration among elders at high fall risk, in comparison with healthy controls, as a potential tool for assessing fall risk. Three groups of participants were recruited: healthy young (n = 10; age = 23 ± 2 years), healthy elders (n = 10; age = 73 ± 3 years), and elders at high fall risk (n = 10; age = 84 ± 9 years). Eyes-open and eyes-closed upright standing balance performance was measured with no vibration, 30 Hz, and 40 Hz vibration of Gastrocnemius muscles. When vibratory stimulation was applied, changes in local-control performance manifested significant differences among the groups (p fall risk participants when compared to healthy young and older adults, respectively. On the other hand, vibration-induced changes in the central-control performance were not significant between groups (p ≥ 0.19). Results suggest that local-control deficits are responsible for balance behavior alterations among elders at high fall risk and healthy individuals. This observation may be attributable to deterioration of short-latency reflexive loop in elders at high fall risk. On the other hand, we could not ascribe the balance alterations to problems related to central nervous system performance or long-latency responses. Copyright © 2018 Elsevier Ltd. All rights reserved.

  19. Unjamming a granular hopper by vibration

    Science.gov (United States)

    Janda, A.; Maza, D.; Garcimartín, A.; Kolb, E.; Lanuza, J.; Clément, E.

    2009-07-01

    We present an experimental study of the outflow of a hopper continuously vibrated by a piezoelectric device. Outpouring of grains can be achieved for apertures much below the usual jamming limit observed for non-vibrated hoppers. Granular flow persists down to the physical limit of one grain diameter, a limit reached for a finite vibration amplitude. For the smaller orifices, we observe an intermittent regime characterized by alternated periods of flow and blockage. Vibrations do not significantly modify the flow rates both in the continuous and the intermittent regime. The analysis of the statistical features of the flowing regime shows that the flow time significantly increases with the vibration amplitude. However, at low vibration amplitude and small orifice sizes, the jamming time distribution displays an anomalous statistics.

  20. On the neutron noise diagnostics of pressurized water reactor control rod vibrations. 1. periodic vibrations

    International Nuclear Information System (INIS)

    Pazsit, I.; Glockler, O.

    1983-01-01

    Based on the theory of neutron noise arising from the vibration of a localized absorber, the possibility of rod vibration diagnostics is investigated. It is found that noise source characteristics, namely rod position and vibration trajectory and spectra, can be unfolded from measured neutron noise signals. For the localization process, the first and more difficult part of the diagnostics, a procedure is suggested whose novelty is that it is applicable in case of arbitrary vibration trajectories. Applicability of the method is investigated in numerical experiments where effects of background noise are also accounted for

  1. Development of S-wave portable vibrator; S ha potable vibrator shingen no kaihatsu

    Energy Technology Data Exchange (ETDEWEB)

    Kaida, Y; Matsubara, Y [OYO Corp., Tokyo (Japan); Nijhof, V; Brouwer, J

    1996-05-01

    An S-wave portable vibrator to serve as a seismic source has been developed for the purpose of applying the shallow-layer reflection method to the study of the soil ground. The author, et al., who previously developed a P-wave portable vibrator has now developed an S-wave version, considering the advantage of the S-wave over the P-wave in that, for example, the S-wave velocity may be directly compared with the N-value representing ground strength and that the S-wave travels more slowly than the P-wave through sticky soil promising a higher-resolution exploration. The experimentally constructed S-wave vibrator consists of a conventional P-wave vibrator and an L-type wooden base plate combined therewith. Serving as the monitor for vibration is a conventional accelerometer without any modification. The applicability test was carried out at a location where a plank hammering test was once conducted for reflection aided exploration, and the result was compared with that of the plank hammering test. As the result, it was found that after some preliminary treatment the results of the two tests were roughly the same but that both reflected waves were a little sharper in the S-wave vibrator test than in the plank hammering test. 4 refs., 9 figs., 1 tab.

  2. Random Vibration Testing of Advanced Wet Tantalum Capacitors

    Science.gov (United States)

    Teverovsky, Alexander

    2015-01-01

    Advanced wet tantalum capacitors allow for improved performance of power supply systems along with substantial reduction of size and weight of the systems that is especially beneficial for space electronics. Due to launch-related stresses, acceptance testing of all space systems includes random vibration test (RVT). However, many types of advanced wet tantalum capacitors cannot pass consistently RVT at conditions specified in MIL-PRF-39006, which impedes their use in space projects. This requires a closer look at the existing requirements, modes and mechanisms of failures, specifics of test conditions, and acceptance criteria. In this work, different lots of advanced wet tantalum capacitors from four manufacturers have been tested at step stress random vibration conditions while their currents were monitored before, during, and after the testing. It has been shown that the robustness of the parts and their reliability are mostly due to effective self-healing processes and limited current spiking or minor scintillations caused by RVT do not increase the risk of failures during operation. A simple model for scintillations events has been used to simulate current spiking during RVT and optimize test conditions. The significance of scintillations and possible effects of gas generation have been discussed and test acceptance criteria for limited current spiking have been suggested.

  3. Vibration analysis of the photon shutter designed for the advanced photon source

    International Nuclear Information System (INIS)

    Wang, Z.; Shu, D.; Kuzay, T.M.

    1992-01-01

    The photon shutter is a critical component of the beamline front end for the 7 GeV Advanced Photon Source (APS) project, now under construction at Argonne National Laboratory (ANL). The shutter is designed to close in tens of milliseconds to absorb up to 10 kW heat load (with high heat flux). Our shutter design uses innovative enhanced heat transfer tubes to withstand the high heat load. Although designed to be light weight and compact, the very fast movement of the shutter gives rise to concern regarding vibration and dynamic sensitivity. To guarantee long-term functionality and reliability of the shutter, the dynamic behavior should be fully studied. In this paper, the natural frequency and transient dynamic analysis for the shutter during operation are presented. Through analysis of the vibration characteristics, as well as stress and deformation, several options in design were developed and compared, including selection of materials for the shutter and structural details

  4. Adaptive learning algorithms for vibration energy harvesting

    International Nuclear Information System (INIS)

    Ward, John K; Behrens, Sam

    2008-01-01

    By scavenging energy from their local environment, portable electronic devices such as MEMS devices, mobile phones, radios and wireless sensors can achieve greater run times with potentially lower weight. Vibration energy harvesting is one such approach where energy from parasitic vibrations can be converted into electrical energy through the use of piezoelectric and electromagnetic transducers. Parasitic vibrations come from a range of sources such as human movement, wind, seismic forces and traffic. Existing approaches to vibration energy harvesting typically utilize a rectifier circuit, which is tuned to the resonant frequency of the harvesting structure and the dominant frequency of vibration. We have developed a novel approach to vibration energy harvesting, including adaptation to non-periodic vibrations so as to extract the maximum amount of vibration energy available. Experimental results of an experimental apparatus using an off-the-shelf transducer (i.e. speaker coil) show mechanical vibration to electrical energy conversion efficiencies of 27–34%

  5. Recent advances in micro-vibration isolation

    Science.gov (United States)

    Liu, Chunchuan; Jing, Xingjian; Daley, Steve; Li, Fengming

    2015-05-01

    Micro-vibration caused by disturbance sources onboard spacecraft can severely degrade the working environment of sensitive payloads. Some notable vibration control methods have been developed particularly for the suppression or isolation of micro-vibration over recent decades. Usually, passive isolation techniques are deployed in aerospace engineering. Active isolators, however, are often proposed to deal with the low frequency vibration that is common in spacecraft. Active/passive hybrid isolation has also been effectively used in some spacecraft structures for a number of years. In semi-active isolation systems, the inherent structural performance can be adjusted to deal with variation in the aerospace environment. This latter approach is potentially one of the most practical isolation techniques for micro-vibration isolation tasks. Some emerging advanced vibration isolation methods that exploit the benefits of nonlinearity have also been reported in the literature. This represents an interesting and highly promising approach for solving some challenging problems in the area. This paper serves as a state-of-the-art review of the vibration isolation theory and/or methods which were developed, mainly over the last decade, specifically for or potentially could be used for, micro-vibration control.

  6. The replacement gag vibration monitoring system for Hinkley Point 'B' power station

    International Nuclear Information System (INIS)

    Bagwell, T.; Morrish, M.F.G.

    1985-01-01

    The original computerised system for monitoring the vibration of gags in each reactor channel of the Hinkley Point 'B' AGR Power Station did not meet the specification for a more stringent safety requirement. This paper describes the replacement of that original single processor system with an enhanced dual processor/multiple scanner computer system used to satisfy this new safety and reliability need. The specification and installation of the new hardware and software are discussed, and some of the problems encountered and their solutions are highlighted. (author)

  7. Vibrational lifetimes of protein amide modes

    International Nuclear Information System (INIS)

    Peterson, K.A.; Rella, C.A.

    1995-01-01

    Measurement of the lifetimes of vibrational modes in proteins has been achieved with a single frequency infrared pump-probe technique using the Stanford Picosecond Free-electron Laser, These are the first direct measurements of vibrational dynamics in the polyamide structure of proteins. In this study, modes associated with the protein backbone are investigated. Results for the amide I band, which consists mainly of the stretching motion of the carbonyl unit of the amide linkage, show that relaxation from the first vibrational excited level (v=1) to the vibrational ground state (v=0) occurs within 1.5 picoseconds with apparent first order kinetics. Comparison of lifetimes for myoglobin and azurin, which have differing secondary structures, show a small but significant difference. The lifetime for the amide I band of myoglobin is 300 femtoseconds shorter than for azurin. Further measurements are in progress on other backbone vibrational modes and on the temperature dependence of the lifetimes. Comparison of vibrational dynamics for proteins with differing secondary structure and for different vibrational modes within a protein will lead to a greater understanding of energy transfer and dissipation in biological systems. In addition, these results have relevance to tissue ablation studies which have been conducted with pulsed infrared lasers. Vibrational lifetimes are necessary for calculating the rate at which the energy from absorbed infrared photons is converted to equilibrium thermal energy within the irradiated volume. The very fast vibrational lifetimes measured here indicate that mechanisms which involve direct vibrational up-pumping of the amide modes with consecutive laser pulses, leading to bond breakage or weakening, are not valid

  8. Interference between vibration-to-translation and vibration-to-vibration energy transfer modes in diatomic molecules at high collision energies

    International Nuclear Information System (INIS)

    Shin, H.K.

    1983-01-01

    An explicit time dependent approach for simultaneous VT and VV energy transfer in diatom--diatom collisions is explored using the exponential form of ladder operators in the solution of the Schroedinger equation of motion. The collision of two hydrogen molecules is chosen to illustrate the extent of interference between VT and VV modes among various vibrational states. While vibrational energy transfer processes of nominally VT type can be treated with pure VT mode at low collision energies, the intermode coupling is found to be very important at collision energies of several hω. The occurrence of the coupling appears to be nearly universal in vibrational transitions at such energies. Exceptions to the coupling have been discussed

  9. Improvement of Equipment reliability for Auxiliary Feed Water System

    Energy Technology Data Exchange (ETDEWEB)

    Deok, Lee Sang; Kwan, Lee Yong [KEPCO International Nuclear Graduate School, Ulsan (Korea, Republic of)

    2013-10-15

    According to AP913 ER) of INPO, Number of the event related to equipment is higher than others like external or human performance. In the top 25 systems, Auxiliary feed water system is the seventh highest among systems. AWFS consists of many component and complex system and Main Function of AFWS is to supply feedwater to the steam generators for the removal of heat from the RCS(Reactor Coolant System) in event the main feedwater system is unavailable following a transient or accident. Reliability of component means how well operate on demands and monitoring is necessary to keep track of condition of component. If component performance is lower than the required value, corrective action for failure mode should be done. The objective of this study is focused to improve of AF pump by adding the tasks of SHR(System Health Report) into the task of system engineer walkdown of PMT(Preventive Maintenance Template). Increasing the reliability of AF pump will contribute to improvement of reliability of AFWS. Based on operating history, there was high vibration of AF pump during performance test. In that case, there were a lot of maintenance works for normal operation of AF pump. Vibration problem related pump can't be detected by tasks of SE walkdown because it's not running during normal operation except for surveillance test. CHR(Component Health Report) of AF pump in AFWS can be made from necessary part which means monitoring and functional failure because problem of Stand-by pump can be covered by conducting monitoring and analysis of functional failure. To improve reliability of AF pump, walkdown of PMT and SHR should be conducted both in accordance with surveillance test frequency. Health of AF pump based on operation history can be verified first and then can find out which parts of pump are weak. Finally, weak part can be managed intensively and failure can be reduced according to SE walkdown. But this work can be risky and burdensome because all parts of

  10. Using HL7 in hospital staff assignments.

    Science.gov (United States)

    Unluturk, Mehmet S

    2014-02-01

    Hospital staff assignments are the instructions that allocate the hospital staff members to the hospital beds. Currently, hospital administrators make the assignments without accessing the information regarding the occupancy of the hospital beds and the acuity of the patient. As a result, administrators cannot distinguish between occupied and unoccupied beds, and may therefore assign staff to unoccupied beds. This gives rise to uneven and inefficient staff assignments. In this paper, the hospital admission-discharge-transfer (ADT) system is employed both as a data source and an assignment device to create staff assignments. When the patient data is newly added or modified, the ADT system updates the assignment software client with the relevant data. Based on the relevant data, the assignment software client is able to construct staff assignments in a more efficient way. © 2013 Elsevier Ltd. All rights reserved.

  11. Cleaning device for vibrational hose filter

    Energy Technology Data Exchange (ETDEWEB)

    Engels, R

    1978-01-05

    Filter hoses out of web in dust separators can be cleaned by enforced vibrations. The efficiency of the cleaning is a maximum if the vibrations are at about the individual frequency of the whole arrangement. In the interior of the hose a cage from bars parallel to the wall of the hose is placed on its total length. The bars are fixed at one end and connected with a vibration exciter at the other end. The unilaterally fixed vibration bars can be adjusted to the individual frequency of the vibration exciter. If the hose filter is flown through from the outer to the inner side the vibration bars serve as a supporting body. In the reverse case the bars are placed on the outer side of the hose filter.

  12. Identification of surface species by vibrational normal mode analysis. A DFT study

    Science.gov (United States)

    Zhao, Zhi-Jian; Genest, Alexander; Rösch, Notker

    2017-10-01

    Infrared spectroscopy is an important experimental tool for identifying molecular species adsorbed on a metal surface that can be used in situ. Often vibrational modes in such IR spectra of surface species are assigned and identified by comparison with vibrational spectra of related (molecular) compounds of known structure, e. g., an organometallic cluster analogue. To check the validity of this strategy, we carried out a computational study where we compared the normal modes of three C2Hx species (x = 3, 4) in two types of systems, as adsorbates on the Pt(111) surface and as ligands in an organometallic cluster compound. The results of our DFT calculations reproduce the experimental observed frequencies with deviations of at most 50 cm-1. However, the frequencies of the C2Hx species in both types of systems have to be interpreted with due caution if the coordination mode is unknown. The comparative identification strategy works satisfactorily when the coordination mode of the molecular species (ethylidyne) is similar on the surface and in the metal cluster. However, large shifts are encountered when the molecular species (vinyl) exhibits different coordination modes on both types of substrates.

  13. Thz Spectroscopy and DFT Modeling of Intermolecular Vibrations in Hydrophobic Amino Acids

    Science.gov (United States)

    Williams, michael R. C.; Aschaffenburg, Daniel J.; Schmuttenmaer, Charles A.

    2013-06-01

    Vibrations that involve intermolecular displacements occur in molecular crystals at frequencies in the 0.5-5 THz range (˜15-165 cm^{-1}), and these motions are direct indicators of the interaction potential between the molecules. The intermolecular potential energy surface of crystalline hydrophobic amino acids is inherently interesting simply because of the wide variety of forces (electrostatic, dipole-dipole, hydrogen-bonding, van der Waals) that are present. Furthermore, an understanding of these particular interactions is immediately relevant to important topics like protein conformation and pharmaceutical polymorphism. We measured the low-frequency absorption spectra of several polycrystalline hydrophobic amino acids using THz time-domain spectroscopy, and in addition we carried out DFT calculations using periodic boundary conditions and an exchange-correlation functional that accounts for van der Waals dispersion forces. We chose to investigate a series of similar amino acids with closely analogous unit cells (leucine, isoleucine, and allo-isoleucine, in racemic or pseudo-racemic mixtures). This allows us to consider trends in the vibrational spectra as a function of small changes in molecular arrangement and/or crystal geometry. In this way, we gain confidence that peak assignments are not based on serendipitous similarities between calculated and observed features.

  14. Novel active vibration absorber with magnetorheological fluid

    Energy Technology Data Exchange (ETDEWEB)

    Gerlach, T; Ehrlich, J; Boese, H [Fraunhofer-Institut fuer Silicatforschung ISC, Neunerplatz 2, D-97082 Wuerzburg (Germany)], E-mail: thomas.gerlach@isc.fraunhofer.de

    2009-02-01

    Disturbing vibrations diminish the performance of technical high precision devices significantly. In search of a suitable solution for reducing these vibrations, a novel concept of active vibration reduction was developed which exploits the special properties of magnetorheological fluids. In order to evaluate the concept of such an active vibration absorber (AVA) a demonstrator was designed and manufactured. This demonstrator generates a force which counteracts the motion of the vibrating body. Since the counterforce is generated by a centrifugal exciter, the AVA provides the capability to compensate vibrations even in two dimensions. To control the strength of the force transmitted to the vibrating body, the exciter is based on a tunable MR coupling. The AVA was integrated in an appropriate testing device to investigate its performance. The recorded results show a significant reduction of the vibration amplitudes by an order of magnitude.

  15. Towards vibrational spectroscopy on surface-attached colloids performed with a quartz crystal microbalance

    Directory of Open Access Journals (Sweden)

    Diethelm Johannsmann

    2016-12-01

    Full Text Available Colloidal spheres attached to a quartz crystal microbalance (QCM produce the so-called “coupled resonances”. They are resonators of their own, characterized by a particle resonance frequency, a resonance bandwidth, and a modal mass. When the frequency of the main resonator comes close to the frequency of the coupled resonance, the bandwidth goes through a maximum. A coupled resonance can be viewed as an absorption line in acoustic shear-wave spectroscopy. The known concepts from spectroscopy apply. This includes the mode assignment problem, selection rules, and the oscillator strength. In this work, the mode assignment problem was addressed with Finite Element calculations. These reveal that a rigid sphere in contact with a QCM displays two modes of vibration, termed “slipping” and “rocking”. In the slipping mode, the sphere rotates about its center; it exerts a tangential force onto the resonator surface at the point of contact. In the rocking mode, the sphere rotates about the point of contact; it exerts a torque onto the substrate. In liquids, both axes of rotation are slightly displaced from their ideal positions. Characteristic for spectroscopy, the two modes do not couple to the mechanical excitation equally well. The degree of coupling is quantified by an oscillator strength. Because the rocking mode mostly exerts a torque (rather than a tangential force, its coupling to the resonator's tangential motion is weak; the oscillator strength consequently is small. Recent experiments on surface-adsorbed colloidal spheres can be explained by the mode of vibration being of the rocking type. Keywords: Quartz crystal microbalance, Coupled resonance, Biocolloids, Adsorption

  16. Vibrations in orthopedics.

    Science.gov (United States)

    Nokes, L D; Thorne, G C

    1988-01-01

    Measurements of various mechanical properties of skeletal material using vibration techniques have been reported. The purposes of such investigations include the monitoring of pathogenic disorders such as osteoporosis, the rate and extent of fracture healing, and the status of internal fixations. Early investigations pioneered the application of conventional vibration measurement equipment to biological systems. The more recent advent of the microcomputer has made available to research groups more sophisticated techniques for data acquisition and analysis. The economical advantages of such equipment has led to the development of portable research instrumentation which lends itself to use in a clinical environment. This review article reports on the developments and progression of the various vibrational techniques and theories as applied to musculoskeletal systems.

  17. Silicon micromachined vibrating gyroscopes

    Science.gov (United States)

    Voss, Ralf

    1997-09-01

    This work gives an overview of silicon micromachined vibrating gyroscopes. Market perspectives and fields of application are pointed out. The advantage of using silicon micromachining is discussed and estimations of the desired performance, especially for automobiles are given. The general principle of vibrating gyroscopes is explained. Vibrating silicon gyroscopes can be divided into seven classes. for each class the characteristic principle is presented and examples are given. Finally a specific sensor, based on a tuning fork for automotive applications with a sensitivity of 250(mu) V/degrees is described in detail.

  18. Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples.

    Science.gov (United States)

    Bednarska, Joanna; Zaleśny, Robert; Bartkowiak, Wojciech; Ośmiałowski, Borys; Medved', Miroslav; Jacquemin, Denis

    2017-09-12

    This article aims at a quantitative assessment of the performances of a panel of exchange-correlation functionals, including semilocal (BLYP and PBE), global hybrids (B3LYP, PBE0, M06, BHandHLYP, M06-2X, and M06-HF), and range-separated hybrids (CAM-B3LYP, LC-ωPBE, LC-BLYP, ωB97X, and ωB97X-D), in predicting the vibrationally resolved absorption spectra of BF 2 -carrying compounds. To this end, for 19 difluoroborates as examples, we use, as a metric, the vibrational reorganization energy (λ vib ) that can be determined based on the computationally efficient linear coupling model (a.k.a. vertical gradient method). The reference values of λ vib were determined by employing the CC2 method combined with the cc-pVTZ basis set for a representative subset of molecules. To validate the performances of CC2, comparisons with experimental data have been carried out as well. This study shows that the vibrational reorganization energy, involving Huang-Rhys factors and normal-mode frequencies, can indeed be used to quantify the reliability of functionals in the calculations of the vibrational fine structure of absorption bands, i.e., an accurate prediction of the vibrational reorganization energy leads to absorption band shapes better fitting the selected reference. The CAM-B3LYP, M06-2X, ωB97X-D, ωB97X, and BHandHLYP functionals all deliver vibrational reorganization energies with absolute relative errors smaller than 20% compared to CC2, whereas 10% accuracy can be achieved with the first three functionals. Indeed, the set of examined exchange-correlation functionals can be divided into three groups: (i) BLYP, B3LYP, PBE, PBE0, and M06 yield inaccurate band shapes (λ vib,TDDFT poor band topologies (λ vib,TDDFT > λ vib,CC2 ). This study also demonstrates that λ vib can be reliably estimated using the CC2 model and the relatively small cc-pVDZ basis set. Therefore, the linear coupling model combined with the CC2/cc-pVDZ level of theory can be used as a very efficient

  19. Attitudes Toward, and Use of, Vibrators in China

    OpenAIRE

    Jing, S.; Lay, A.; Weis, L.; Furnham, A.

    2018-01-01

    The current study examined the relationship between traditional masculine traits and attitudes toward vibrator use, actual vibrator use, and frequency of vibrator use in China. In all, 235 Chinese females aged between 16 and 58 years completed a questionnaire regarding attitudes toward, and personal use of, vibrators. The results showed a positive association between masculine traits and attitudes toward women's vibrator use, attitudes toward vibrator use and actual vibrator use, as well as f...

  20. Coupled quantum treatment of vibrationally inelastic and vibronic charge transfer in proton-O2 collisions

    International Nuclear Information System (INIS)

    Gianturco, F.A.; Palma, A.; Semprini, E.; Stefani, F.; Baer, M.

    1990-01-01

    A three-dimensional quantum-mechanical study of vibrational, state-resolved differential cross sections (DCS) for the direct inelastic and for the charge-transfer scattering channels has been carried out for the H + +O 2 system. The collision energy considered was E c.m. =23.0 eV, which is the same as that examined by Noll and Toennies in their experiments [J. Chem. Phys. 85, 3313 (1986)]. The scattering treatment employed was the charge-transfer infinite-order sudden approximation (CT IOSA) with the vibrational states correctly expanded over the relevant adiabatic basis for each of the two electronic channels. The state-to-state DCS are found to follow closely the behavior of the experimental quantities, both in the inelastic and the charge-transfer channels. Moreover, a careful comparison between the measured relative probabilities and computed values allows us to test in minute detail the efficiency of the scattering model and the reliability of the potential-energy surfaces employed. It is found that vibrational energy transfer is overestimated in the vibrational inelastic channels while in the charge-transfer inelastic channels the same energy transfer is slightly underestimated by the calculations. The total flux distribution, however, is found to be in very good accord with experiments. Angular distributions are also well reproduced both by the DCS and by the average energy-transfer values. The study of some of the CT IOSA quantities also allows us to establish clearly the importance of nonadiabatic transitions in enhancing vibrational inelasticity in the present system

  1. Analytical research of vibration and far-field acoustic radiation of cylindrical shell immersed at finite depth

    Directory of Open Access Journals (Sweden)

    GUO Wenjie

    2017-08-01

    Full Text Available Aiming at the current lack of analytical research concerning the cylindrical shell-flow field coupling vibration and sound radiation system under the influence of a free surface, this paper proposes an analytical method which solves the vibration response and far-field acoustic radiation of a finite cylindrical shell immersed at a finite depth. Based on the image method and Graf addition theorem, the analytical expression of the fluid velocity potential can be obtained, then combined with the energy functional of the variation method to deduce the shell-liquid coupling vibration equation, which can in turn solve the forced vibration response. The research shows that, compared with an infinite fluid, a free surface can increase at the same order of resonance frequency; but as the depth of immersion gradually increases, the mean square vibration velocity tends to become the same as that in an infinite fluid. Compared with numerical results from Nastran software, this shows that the present method is accurate and reliable, and has such advantages as a simple method and a small amount of calculation. The far-field radiated pressure can be obtained by the vibration response using the Fourier transformation and stationary phase method. The results indicate that the directivity and volatility of the far-field acoustic pressure of a cylindrical shell is similar to that of an acoustical dipole due to the free surface. However, the far-field acoustic pressure is very different from the vibration characteristics, and will not tend to an infinite fluid as the submerging depth increases. Compared with the numerical method, the method in this paper is simpler and has a higher computational efficiency. It enables the far-field acoustic radiation of an underwater cylindrical shell to be predicted quickly under the influence of external incentives and the free surface, providing guiding significance for acoustic research into the half space structure vibration

  2. Benefits of Spacecraft Level Vibration Testing

    Science.gov (United States)

    Gordon, Scott; Kern, Dennis L.

    2015-01-01

    NASA-HDBK-7008 Spacecraft Level Dynamic Environments Testing discusses the approaches, benefits, dangers, and recommended practices for spacecraft level dynamic environments testing, including vibration testing. This paper discusses in additional detail the benefits and actual experiences of vibration testing spacecraft for NASA Goddard Space Flight Center (GSFC) and Jet Propulsion Laboratory (JPL) flight projects. JPL and GSFC have both similarities and differences in their spacecraft level vibration test approach: JPL uses a random vibration input and a frequency range usually starting at 5 Hz and extending to as high as 250 Hz. GSFC uses a sine sweep vibration input and a frequency range usually starting at 5 Hz and extending only to the limits of the coupled loads analysis (typically 50 to 60 Hz). However, both JPL and GSFC use force limiting to realistically notch spacecraft resonances and response (acceleration) limiting as necessary to protect spacecraft structure and hardware from exceeding design strength capabilities. Despite GSFC and JPL differences in spacecraft level vibration test approaches, both have uncovered a significant number of spacecraft design and workmanship anomalies in vibration tests. This paper will give an overview of JPL and GSFC spacecraft vibration testing approaches and provide a detailed description of spacecraft anomalies revealed.

  3. (2E)-1-(5-Chlorothiophen-2-yl)-3-{4-[(E)-2-phenylethenyl]phenyl}prop-2-en-1-one: Synthesis, XRD, FT-IR, Raman and DFT studies.

    Science.gov (United States)

    Parlak, Cemal; Ramasami, Ponnadurai; Kumar, Chandraju Sadolalu Chidan; Tursun, Mahir; Quah, Ching Kheng; Rhyman, Lydia; Bilge, Metin; Fun, Hoong-Kun; Chandraju, Siddegowda

    2015-01-01

    A novel (2E)-1-(5-chlorothiophen-2-yl)-3-{4-[(E)-2-phenylethenyl]phenyl}prop-2-en-1-one [C21H15ClOS] compound has been synthesized and its structure has been characterized by FT-IR, Raman and single-crystal X-ray diffraction techniques. The conformational isomers, optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of the compound have been examined by means of HF, MP2, BP86, BLYP, BMK, B3LYP, B3PW91, B3P86 and M06-2X functionals. Reliable vibrational assignments and molecular orbitals have been investigated by the potential energy distribution and natural bonding orbital analyses, respectively. The compound crystallizes in the triclinic space group P-1 with the cis-trans-trans form. There is a good agreement between the experimentally determined structural parameters and vibrational frequencies of the compound and those predicted theoretically using the density functional theory with the BLYP and BP86 functionals. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Vibrational spectroscopic, structural and nonlinear optical activity studies on 6-aminonicotinamide: A DFT approach

    Science.gov (United States)

    Asath, R. Mohamed; Premkumar, S.; Rekha, T. N.; Jawahar, A.; Mathavan, T.; Benial, A. Milton Franklin

    2016-05-01

    The conformational analysis was carried out for 6-aminonicotinamide (ANA) using potential energy surface scan method and the most stable optimized conformer was predicted. The theoretical vibrational frequencies were calculated for the optimized geometry using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program. The Mulliken atomic charge values were calculated. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intermolecular charge transfer studies and the related molecular properties were calculated. The ultraviolet-visible spectrum was simulated for both in the gas phase and liquid phase (ethanol) and the л to л* electronic transition was predicted. The nonlinear optical (NLO) activity was studied by means of the first order hyperpolarizability value, which was 8.61 times greater than the urea and the natural bond orbital analysis was also performed to confirm the NLO activity of the molecule. Hence, the ANA molecule is a promising candidate for the NLO materials.

  5. Vibrational spectroscopic, structural and nonlinear optical activity studies on 6-aminonicotinamide: A DFT approach

    Energy Technology Data Exchange (ETDEWEB)

    Asath, R. Mohamed; Premkumar, S.; Mathavan, T.; Benial, A. Milton Franklin, E-mail: miltonfranklin@yahoo.com [Department of Physics, N.M.S.S.V.N College, Madurai-625019, Tamilnadu (India); Rekha, T. N. [PG & Research Department of Physics, Lady Doak College, Madurai 625002, Tamilnadu (India); Jawahar, A. [Department of Chemistry, N.M.S.S.V.N College, Madurai-625019, Tamilnadu (India)

    2016-05-23

    The conformational analysis was carried out for 6-aminonicotinamide (ANA) using potential energy surface scan method and the most stable optimized conformer was predicted. The theoretical vibrational frequencies were calculated for the optimized geometry using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program. The Mulliken atomic charge values were calculated. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intermolecular charge transfer studies and the related molecular properties were calculated. The ultraviolet-visible spectrum was simulated for both in the gas phase and liquid phase (ethanol) and the π to π* electronic transition was predicted. The nonlinear optical (NLO) activity was studied by means of the first order hyperpolarizability value, which was 8.61 times greater than the urea and the natural bond orbital analysis was also performed to confirm the NLO activity of the molecule. Hence, the ANA molecule is a promising candidate for the NLO materials.

  6. A new reference tip-timing test bench and simulator for blade synchronous and asynchronous vibrations

    Science.gov (United States)

    Hajnayeb, Ali; Nikpour, Masood; Moradi, Shapour; Rossi, Gianluca

    2018-02-01

    The blade tip-timing (BTT) measurement technique is at present the most promising technique for monitoring the blades of axial turbines and aircraft engines in operating conditions. It is generally used as an alternative to strain gauges in turbine testing. By conducting a comparison with the standard methods such as those based on strain gauges, one determines that the technique is not intrusive and does not require a complicated installation process. Despite its superiority to other methods, the experimental performance analysis of a new BTT method needs a test stand that includes a reference measurement system (e.g. strain gauges equipped with telemetry or other complex optical measurement systems, like rotating laser Doppler vibrometers). In this article, a new reliable, low-cost BTT test setup is proposed for simulating and analyzing blade vibrations based on kinematic inversion. In the proposed test bench, instead of the blades vibrating, it is the BTT sensor that vibrates. The vibration of the sensor is generated by a shaker and can therefore be easily controlled in terms of frequency, amplitude and waveform shape. The amplitude of vibration excitation is measured by a simple accelerometer. After introducing the components of the simulator, the proposed test bench is used in practice to simulate both synchronous and asynchronous vibration scenarios. Then two BTT methods are used to evaluate the quality of the acquired data. The results demonstrate that the proposed setup is able to generate simulated pulse sequences which are almost the same as those generated by the conventional BTT systems installed around a bladed disk. Moreover, the test setup enables its users to evaluate BTT methods by using a limited number of sensors. This significantly reduces the total costs of the experiments.

  7. Quadratic partial eigenvalue assignment in large-scale stochastic dynamic systems for resilient and economic design

    Energy Technology Data Exchange (ETDEWEB)

    Das, Sonjoy; Goswami, Kundan [University at Buffalo, NY (United States); Datta, Biswa N. [Northern Illinois University, IL (United States)

    2014-12-10

    Failure of structural systems under dynamic loading can be prevented via active vibration control which shifts the damped natural frequencies of the systems away from the dominant range of loading spectrum. The damped natural frequencies and the dynamic load typically show significant variations in practice. A computationally efficient methodology based on quadratic partial eigenvalue assignment technique and optimization under uncertainty has been formulated in the present work that will rigorously account for these variations and result in an economic and resilient design of structures. A novel scheme based on hierarchical clustering and importance sampling is also developed in this work for accurate and efficient estimation of probability of failure to guarantee the desired resilience level of the designed system. Numerical examples are presented to illustrate the proposed methodology.

  8. Quadratic partial eigenvalue assignment in large-scale stochastic dynamic systems for resilient and economic design

    International Nuclear Information System (INIS)

    Das, Sonjoy; Goswami, Kundan; Datta, Biswa N.

    2014-01-01

    Failure of structural systems under dynamic loading can be prevented via active vibration control which shifts the damped natural frequencies of the systems away from the dominant range of loading spectrum. The damped natural frequencies and the dynamic load typically show significant variations in practice. A computationally efficient methodology based on quadratic partial eigenvalue assignment technique and optimization under uncertainty has been formulated in the present work that will rigorously account for these variations and result in an economic and resilient design of structures. A novel scheme based on hierarchical clustering and importance sampling is also developed in this work for accurate and efficient estimation of probability of failure to guarantee the desired resilience level of the designed system. Numerical examples are presented to illustrate the proposed methodology

  9. 2008 Vibrational Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Philip J. Reid

    2009-09-21

    The conference focuses on using vibrational spectroscopy to probe structure and dynamics of molecules in gases, liquids, and interfaces. The goal is to bring together a collection of researchers who share common interests and who will gain from discussing work at the forefront of several connected areas. The intent is to emphasize the insights and understanding that studies of vibrations provide about a variety of systems.

  10. Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions

    International Nuclear Information System (INIS)

    Thompson, Michael C.; Weber, J. Mathias; Baraban, Joshua H.; Matthews, Devin A.; Stanton, John F.

    2015-01-01

    We report infrared spectra of nitromethane anion, CH 3 NO 2 − , in the region 700–2150 cm −1 , obtained by Ar predissociation spectroscopy and electron detachment spectroscopy. The data are interpreted in the framework of second-order vibrational perturbation theory based on coupled-cluster electronic structure calculations. The modes in the spectroscopic region studied here are mainly based on vibrations involving the heavier atoms; this work complements earlier studies on nitromethane anion that focused on the CH stretching region of the spectrum. Electron detachment begins at photon energies far below the adiabatic electron affinity due to thermal population of excited vibrational states

  11. Vibration damping method and apparatus

    Science.gov (United States)

    Redmond, James M.; Barney, Patrick S.; Parker, Gordon G.; Smith, David A.

    1999-01-01

    The present invention provides vibration damping method and apparatus that can damp vibration in more than one direction without requiring disassembly, that can accommodate varying tool dimensions without requiring re-tuning, and that does not interfere with tool tip operations and cooling. The present invention provides active dampening by generating bending moments internal to a structure such as a boring bar to dampen vibration thereof.

  12. Atomic beams probe surface vibrations

    International Nuclear Information System (INIS)

    Robinson, A.L.

    1982-01-01

    In the last two years, surface scientist have begun trying to obtain the vibrational frequencies of surface atoms in both insulating and metallic crystals from beams of helium atoms. It is the inelastic scattering that researchers use to probe surface vibrations. Inelastic atomic beam scattering has only been used to obtain vibrational frequency spectra from clean surfaces. Several experiments using helium beams are cited. (SC)

  13. Gearbox vibration diagnostic analyzer

    Science.gov (United States)

    1992-01-01

    This report describes the Gearbox Vibration Diagnostic Analyzer installed in the NASA Lewis Research Center's 500 HP Helicopter Transmission Test Stand to monitor gearbox testing. The vibration of the gearbox is analyzed using diagnostic algorithms to calculate a parameter indicating damaged components.

  14. Effects of vertical and side-alternating vibration training on fall risk factors and bone turnover in older people at risk of falls.

    Science.gov (United States)

    Corrie, Heather; Brooke-Wavell, Katherine; Mansfield, Neil J; Cowley, Alison; Morris, Robert; Masud, Tahir

    2015-01-01

    whole-body vibration training may improve neuromuscular function, falls risk and bone density, but previous studies have had conflicting findings. this study aimed to evaluate the influence of vertical vibration (VV) and side-alternating vibration (SV) on musculoskeletal health in older people at risk of falls. single-blind, randomised, controlled trial comparing vibration training to sham vibration (Sham) in addition to usual care. participants were 61 older people (37 women and 24 men), aged 80.2 + 6.5 years, referred to an outpatient falls prevention service. participants were randomly assigned to VV, SV or Sham in addition to the usual falls prevention programme. Participants were requested to attend three vibration sessions per week for 12 weeks, with sessions increasing to six, 1 min bouts of vibration. Falls risk factors and neuromuscular tests were assessed, and blood samples collected for determination of bone turnover, at baseline and following the intervention. chair stand time, timed-up-and-go time, fear of falling, NEADL index and postural sway with eyes open improved in the Sham group. There were significantly greater gains in leg power in the VV than in the Sham group and in bone formation in SV and VV compared with the Sham group. Conversely, body sway improved less in the VV than in the Sham group. Changes in falls risk factors did not differ between the groups. whole-body vibration increased leg power and bone formation, but it did not provide any additional benefits to balance or fall risk factors beyond a falls prevention programme in older people at risk of falls. © The Author 2014. Published by Oxford University Press on behalf of the British Geriatrics Society. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  15. Power-Generation Characteristics After Vibration and Thermal Stresses of Thermoelectric Unicouples with CoSb3/Ti/Mo(Cu) Interfaces

    Science.gov (United States)

    Bae, Kwang Ho; Choi, Soon-Mok; Kim, Kyung-Hun; Choi, Hyoung-Seuk; Seo, Won-Seon; Kim, Il-Ho; Lee, Soonil; Hwang, Hae Jin

    2015-06-01

    Reliability tests for thermoelectric unicouples were carried out to investigate the adhesion properties of CoSb3/Ti/Mo(Cu) interfaces. The n-type In0.25 Co3.95Ni0.05Sb12 and p-type In0.25Co3FeSb12 bulks were prepared for fabricating a thermoelectric unicouple (one p- n couple) by an induction melting and a spark plasma sintering process. Mo-Cu alloy was selected as an electrode for the unicouples due to its high melting temperature and proper work function value. Many thermoelectric unicouples with the CoSb3/Ti/Mo(Cu) interfaces were fabricated with the proper brazing materials by means of a repeated firing process. Reliability of the unicouples with the interfaces was evaluated by a vibration test and a thermal cycling test. After the thermal cycling and vibration tests, the power-generation characteristics of the unicouples were compared with the unicouples before the tests. Even after the vibration test, electrical power with a power density of 0.5 W/cm2 was generated. The Ti-interlayer is considered as a possible candidate for making a reliable unicouple with high adhesion strength. With the thermal cycling test, the resistance of the unicouple increased and the electrical power from the unicouple decreased. A failure mode by the thermal cycling test was ascribed to a complex effect of micro-cracks originated from the thermal stress and oxidation problem of the thermoelectric materials; that is, a thick oxide layer more than 300 μm was detected after a high-temperature durability test of n-type In0.25Co3.95Ni0.05Sb12 material at 773 K in air for 7 days.

  16. Lateral vibration behavior analysis and TLD vibration absorption design of the soft yoke single-point mooring system

    Science.gov (United States)

    Lyu, Bai-cheng; Wu, Wen-hua; Yao, Wei-an; Du, Yu

    2017-06-01

    Mooring system is the key equipment of FPSO safe operation. The soft yoke mooring system is regarded as one of the best shallow water mooring strategies and widely applied to the oil exploitation in the Bohai Bay in China and the Gulf of Mexico. Based on the analysis of numerous monitoring data obtained by the prototype monitoring system of one FPSO in the Bohai Bay, the on-site lateral vibration behaviors found on the site of the soft yoke subject to wave load were analyzed. ADAMS simulation and model experiment were utilized to analyze the soft yoke lateral vibration and it was determined that lateral vibration was resonance behaviors caused by wave excitation. On the basis of the soft yoke longitudinal restoring force being guaranteed, a TLD-based vibration damper system was constructed and the vibration reduction experiments with multi-tank space and multi-load conditions were developed. The experimental results demonstrated that the proposed TLD vibration reduction system can effectively reduce lateral vibration of soft yoke structures.

  17. Children's assignment of grammatical roles in the online processing of Mandarin passive sentences.

    Science.gov (United States)

    Huang, Yi Ting; Zheng, Xiaobei; Meng, Xiangzhi; Snedeker, Jesse

    2013-11-01

    Children's difficulty understanding passives in English has been attributed to the syntactic complexity, overall frequency, cue reliability, and/or incremental processing of this construction. To understand the role of these factors, we used the visual-world paradigm to examine comprehension in Mandarin Chinese where passives are infrequent but signaled by a highly valid marker (BEI). Eye-movements during sentences indicated that these markers triggered incremental role assignments in adults and 5-year-olds. Actions after sentences indicated that passives were often misinterpreted as actives when markers appeared after the referential noun (" Seal BEI it eat " → The seal is eaten by it). However, they were more likely to be interpreted correctly when markers appeared before (" It BEI seal eat " → It is eaten by the seal). The actions and the eye-movements suggest that for both adults and children, interpretations of passive are easier when they do not require revision of an earlier role assignment.

  18. Neural substrates of reliability-weighted visual-tactile multisensory integration

    Directory of Open Access Journals (Sweden)

    Michael S Beauchamp

    2010-06-01

    Full Text Available As sensory systems deteriorate in aging or disease, the brain must relearn the appropriate weights to assign each modality during multisensory integration. Using blood-oxygen level dependent functional magnetic resonance imaging (BOLD fMRI of human subjects, we tested a model for the neural mechanisms of sensory weighting, termed “weighted connections”. This model holds that the connection weights between early and late areas vary depending on the reliability of the modality, independent of the level of early sensory cortex activity. When subjects detected viewed and felt touches to the hand, a network of brain areas was active, including visual areas in lateral occipital cortex, somatosensory areas in inferior parietal lobe, and multisensory areas in the intraparietal sulcus (IPS. In agreement with the weighted connection model, the connection weight measured with structural equation modeling between somatosensory cortex and IPS increased for somatosensory-reliable stimuli, and the connection weight between visual cortex and IPS increased for visual-reliable stimuli. This double dissociation of connection strengths was similar to the pattern of behavioral responses during incongruent multisensory stimulation, suggesting that weighted connections may be a neural mechanism for behavioral reliability weighting.for behavioral reliability weighting.

  19. Reliability of procedures used for scaling loudness

    DEFF Research Database (Denmark)

    Jesteadt, Walt; Joshi, Suyash Narendra

    2013-01-01

    In this study, 16 normally-hearing listeners judged the loudness of 1000-Hz sinusoids using magnitude estimation (ME), magnitude production (MP), and categorical loudness scaling (CLS). Listeners in each of four groups completed the loudness scaling tasks in a different sequence on the first visit...... (ME, MP, CLS; MP, ME, CLS; CLS, ME, MP; CLS, MP, ME), and the order was reversed on the second visit. This design made it possible to compare the reliability of estimates of the slope of the loudness function across procedures in the same listeners. The ME data were well fitted by an inflected...... results were the most reproducible, they do not provide direct information about the slope of the loudness function because the numbers assigned to CLS categories are arbitrary. This problem can be corrected by using data from the other procedures to assign numbers that are proportional to loudness...

  20. Neurology objective structured clinical examination reliability using generalizability theory.

    Science.gov (United States)

    Blood, Angela D; Park, Yoon Soo; Lukas, Rimas V; Brorson, James R

    2015-11-03

    This study examines factors affecting reliability, or consistency of assessment scores, from an objective structured clinical examination (OSCE) in neurology through generalizability theory (G theory). Data include assessments from a multistation OSCE taken by 194 medical students at the completion of a neurology clerkship. Facets evaluated in this study include cases, domains, and items. Domains refer to areas of skill (or constructs) that the OSCE measures. G theory is used to estimate variance components associated with each facet, derive reliability, and project the number of cases required to obtain a reliable (consistent, precise) score. Reliability using G theory is moderate (Φ coefficient = 0.61, G coefficient = 0.64). Performance is similar across cases but differs by the particular domain, such that the majority of variance is attributed to the domain. Projections in reliability estimates reveal that students need to participate in 3 OSCE cases in order to increase reliability beyond the 0.70 threshold. This novel use of G theory in evaluating an OSCE in neurology provides meaningful measurement characteristics of the assessment. Differing from prior work in other medical specialties, the cases students were randomly assigned did not influence their OSCE score; rather, scores varied in expected fashion by domain assessed. © 2015 American Academy of Neurology.